data_1dt7_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 1dt7 _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 ' 0' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 2' ' ' GLU . 59.3 ttm . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.18 19.99 0.36 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.188 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 21.3 pt-20 -76.22 26.4 0.12 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.8 OUTLIER -63.73 -30.56 71.65 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.794 -1.192 . . . . 0.0 109.188 -179.292 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.8 -39.98 95.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.321 -0.862 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' A' ' 2' ' ' GLU . 47.6 pttt -73.85 -28.18 61.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.511 -1.368 . . . . 0.0 108.783 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.72 78.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.701 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -68.91 -39.78 79.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.94 -1.1 . . . . 0.0 109.217 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.04 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.565 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -38.88 67.73 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.253 -0.904 . . . . 0.0 110.214 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -43.4 92.3 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.412 HG21 HD12 ' A' ' 11' ' ' ILE . 78.9 mt -69.92 -34.62 60.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.715 -0.616 . . . . 0.0 110.416 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 m-20 -60.01 -46.3 89.92 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.845 -1.159 . . . . 0.0 111.67 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -39.94 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.737 -1.227 . . . . 0.0 108.927 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 30.8 t80 -57.45 -38.37 74.33 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.97 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -66.63 -29.65 69.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 110.883 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -60.04 -41.88 93.24 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.871 -1.143 . . . . 0.0 110.414 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -90.52 -40.12 12.17 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.825 -1.172 . . . . 0.0 112.455 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.4 p -60.13 -41.33 92.47 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.83 -1.169 . . . . 0.0 110.39 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.19 -10.2 84.24 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.46 -47.15 87.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.17 -1.194 . . . . 0.0 109.429 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -114.6 172.52 6.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.724 0.773 . . . . 0.0 110.165 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -55.04 -32.98 56.98 Favored Glycine 0 N--CA 1.493 2.437 0 O-C-N 121.705 -0.622 . . . . 0.0 112.032 -178.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 26' ' ' LYS . 6.4 m-20 -70.03 62.83 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.309 -1.701 . . . . 0.0 109.801 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLY . 36.0 ttpt -61.77 -39.99 93.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.563 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 6.3 p80 -94.67 0.33 54.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -0.951 . . . . 0.0 110.916 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 23' ' ' ASP . 48.2 mtmt -141.54 154.83 45.71 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.961 -1.087 . . . . 0.0 109.785 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.55 132.2 56.21 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.489 -0.757 . . . . 0.0 109.05 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.8 tttp -98.29 147.27 24.82 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -43.99 -24.25 0.13 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.123 -0.985 . . . . 0.0 109.175 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LYS . 24.4 t -77.13 -50.41 13.07 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.15 -36.88 85.49 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.99 -40.37 88.92 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.596 -0.69 . . . . 0.0 109.399 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 109.79 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.78 -40.11 95.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.138 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.1 tm? -60.18 -49.86 75.95 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.831 -1.168 . . . . 0.0 108.361 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.63 -49.01 55.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 112.49 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -75.54 -48.12 23.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.614 -1.304 . . . . 0.0 112.62 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -78.61 -47.05 17.9 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 121.483 -0.761 . . . . 0.0 112.855 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.624 -1.297 . . . . 0.0 109.958 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.9 62.57 2.65 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.601 -0.687 . . . . 0.0 110.186 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -137.37 -18.51 1.28 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.255 -0.903 . . . . 0.0 110.423 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -61.39 -39.97 92.65 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.075 . . . . 0.0 110.238 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -129.41 158.79 38.17 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.91 111.94 1.86 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 109.536 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' NH1' ' X' ' 104' ' ' ARG . 34.6 mt-10 -53.58 156.86 2.39 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.864 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.37 128.4 46.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -101.0 -23.17 14.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.164 -0.96 . . . . 0.0 109.26 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 94.5 mt-10 -124.4 139.79 53.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 109.826 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -69.42 -19.78 63.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 109.013 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.2 pt-20 -59.84 -35.48 74.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.905 -1.122 . . . . 0.0 109.183 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.13 -37.78 74.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 t -68.55 -33.36 59.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.5 t0 -65.39 -38.31 89.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.149 0.976 . . . . 0.0 109.502 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 65.6 tttm -69.88 -39.97 75.98 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 122.26 1.029 . . . . 0.0 108.521 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.0 t -67.61 -30.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -38.5 90.37 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.88 -39.89 72.18 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.385 -1.447 . . . . 0.0 107.549 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 m -78.6 -44.82 23.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.675 -0.641 . . . . 0.0 111.479 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.4 mt -89.73 -14.68 34.14 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.849 -1.157 . . . . 0.0 111.31 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.8 t0 -81.29 61.26 4.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -59.83 -40.04 87.12 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 -14.48 60.93 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.21 30.07 76.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -107.08 6.88 29.34 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.246 -1.15 . . . . 0.0 109.689 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.499 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.42 4.83 87.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -136.03 130.05 32.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.854 -0.792 . . . . 0.0 109.058 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 126.98 43.35 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.8 161.86 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.377 -0.827 . . . . 0.0 110.108 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -31.95 32.84 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.094 -1.004 . . . . 0.0 109.209 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.65 -38.14 80.21 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.421 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.5 mt-10 -68.46 -40.09 81.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.347 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.04 -37.52 82.88 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.428 -0.795 . . . . 0.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.457 ' C ' ' HG ' ' B' ' 78' ' ' SER . 75.6 mmm -60.01 -39.11 84.68 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.225 0.536 . . . . 0.0 110.607 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.2 67.83 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.252 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -70.01 -23.1 63.07 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.948 -1.095 . . . . 0.0 110.261 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -32.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.2 -0.937 . . . . 0.0 109.85 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.468 ' HG ' ' C ' ' B' ' 74' ' ' MET . 1.4 t -72.11 -40.22 68.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.373 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm -70.36 -42.66 71.54 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.027 -1.046 . . . . 0.0 110.936 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.95 -36.43 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.476 -1.39 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.8 m -59.81 -39.76 86.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.287 -0.883 . . . . 0.0 108.769 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.488 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.5 m -51.93 -41.98 62.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.3 82.22 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.45 -33.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.705 -0.622 . . . . 0.0 109.843 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -59.94 -41.07 91.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.827 -1.17 . . . . 0.0 108.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 52.6 mp0 -61.77 -39.03 90.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.953 -1.092 . . . . 0.0 108.96 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -81.67 -40.97 22.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.85 . . . . 0.0 110.018 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 31.2 t80 . . . . . 0 C--N 1.303 -1.445 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.496 ' H2 ' HE21 ' A' ' 16' ' ' GLN . 58.7 ttm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.504 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.48 19.98 0.43 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.13 -0.981 . . . . 0.0 109.219 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.442 ' OE1' ' NZ ' ' B' ' 5' ' ' LYS . 21.6 pt-20 -76.01 25.59 0.12 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -63.0 -30.85 71.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.823 -1.173 . . . . 0.0 109.16 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.61 -40.01 95.58 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.262 -0.899 . . . . 0.0 111.821 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.442 ' NZ ' ' OE1' ' B' ' 2' ' ' GLU . 48.7 pttt -73.84 -28.14 61.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.525 -1.359 . . . . 0.0 108.804 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -39.26 77.75 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.645 -0.659 . . . . 0.0 110.784 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 25.7 mtt -68.87 -39.87 79.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.919 -1.113 . . . . 0.0 109.137 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.0 -35.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 119.804 -0.759 . . . . 0.0 110.566 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.99 -38.44 66.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -43.05 93.6 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.409 HD12 HG23 ' B' ' 11' ' ' ILE . 74.6 mt -69.93 -34.98 62.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.739 -0.601 . . . . 0.0 110.349 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.503 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 99.1 m-20 -59.98 -46.24 90.1 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.934 -1.104 . . . . 0.0 111.68 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -39.96 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.759 -1.213 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 28.7 t80 -57.76 -37.99 74.61 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.027 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.95 -29.15 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.725 -1.234 . . . . 0.0 110.791 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.581 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 0.3 OUTLIER -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.791 -1.193 . . . . 0.0 110.487 -179.249 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.674 ' HH ' ' N ' ' B' ' 39' ' ' GLU . 41.9 m-85 -90.48 -40.06 12.23 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.86 -1.15 . . . . 0.0 112.371 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 p -60.23 -41.21 92.64 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.68 -1.262 . . . . 0.0 110.429 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.97 -10.34 83.94 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.74 -46.8 89.06 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.171 -1.194 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.9 172.51 7.0 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.685 0.755 . . . . 0.0 110.127 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -54.99 -32.76 56.66 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.644 -0.66 . . . . 0.0 111.995 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 6.5 m-20 -70.09 62.83 0.22 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.311 -1.699 . . . . 0.0 109.847 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.6 ttpt -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.163 -0.961 . . . . 0.0 110.358 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.573 ' H ' ' CD2' ' B' ' 25' ' ' HIS . 6.2 p80 -94.77 0.31 54.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.173 -0.955 . . . . 0.0 110.816 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 49.1 mtmt -141.53 154.86 45.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.986 -1.071 . . . . 0.0 109.824 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.64 131.81 56.18 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.54 -0.725 . . . . 0.0 109.098 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.7 tttp -98.01 147.26 24.69 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 57.3 pttt -43.99 -24.11 0.13 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 22.8 t -77.2 -50.51 12.79 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.13 -36.96 85.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.07 -40.15 88.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.678 -0.639 . . . . 0.0 109.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.17 -40.03 88.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.63 -40.17 96.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 109.26 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.16 -49.68 76.68 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.846 -1.159 . . . . 0.0 108.449 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -70.84 -48.91 54.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.558 -0.714 . . . . 0.0 112.495 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.82 -47.97 23.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.654 -1.279 . . . . 0.0 112.603 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.69 -47.01 17.78 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.443 -0.786 . . . . 0.0 112.848 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.674 ' N ' ' HH ' ' B' ' 17' ' ' TYR . 22.5 tt0 -69.63 -40.04 76.79 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.534 -1.354 . . . . 0.0 109.858 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.62 62.57 2.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.618 ' HG ' ' HD1' ' B' ' 42' ' ' HIS . 96.0 p -60.09 -40.13 88.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.618 ' HD1' ' HG ' ' B' ' 41' ' ' SER . 80.8 m80 -137.13 -18.88 1.3 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.23 -0.919 . . . . 0.0 110.506 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.99 -39.87 91.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 110.279 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.57 158.89 38.02 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.97 -1.081 . . . . 0.0 109.526 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.553 ' O ' ' NH1' ' Y' ' 104' ' ' ARG . 30.4 mt-10 -53.47 156.62 2.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.66 0.743 . . . . 0.0 110.003 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -95.15 128.85 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -101.38 -23.11 14.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.21 -0.931 . . . . 0.0 109.384 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 94.7 mt-10 -124.54 140.01 53.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.678 -0.639 . . . . 0.0 109.666 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.89 -19.52 63.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.363 -0.836 . . . . 0.0 108.834 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 8.4 pt-20 -59.82 -35.44 74.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.957 -1.089 . . . . 0.0 109.159 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.08 -37.79 74.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 32.1 t -68.38 -33.52 60.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.4 t0 -65.44 -38.24 89.27 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.083 0.944 . . . . 0.0 109.51 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.613 ' NZ ' ' SD ' ' Y' ' 109' ' ' MET . 64.4 tttm -70.01 -39.95 75.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 122.3 1.048 . . . . 0.0 108.385 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.6 -30.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.595 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.57 -38.3 89.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.77 -39.98 71.98 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.409 -1.432 . . . . 0.0 107.52 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 m -78.8 -44.81 22.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.759 -0.588 . . . . 0.0 111.538 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 29.3 mt -89.59 -14.87 34.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.907 -1.121 . . . . 0.0 111.238 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.7 t0 -81.25 61.38 4.74 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -74.53 -14.16 60.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.14 29.96 75.95 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -107.05 6.92 29.44 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.177 -1.19 . . . . 0.0 109.659 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.09 5.11 86.98 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.84 129.68 32.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.752 -0.852 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.48 127.04 43.12 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -73.01 161.83 30.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 0.0 110.024 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.07 -31.95 32.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.079 -1.013 . . . . 0.0 109.234 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.79 -37.67 79.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.803 -1.186 . . . . 0.0 108.448 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 41.7 mt-10 -68.74 -40.15 79.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.081 -1.012 . . . . 0.0 109.179 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.78 -37.81 83.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.488 -0.757 . . . . 0.0 109.876 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.468 ' C ' ' HG ' ' A' ' 78' ' ' SER . 76.3 mmm -59.94 -39.03 84.11 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.216 0.531 . . . . 0.0 110.649 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.92 67.3 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.155 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.96 -23.49 63.18 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.98 -1.075 . . . . 0.0 110.265 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.52 -32.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.231 -0.918 . . . . 0.0 109.808 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.457 ' HG ' ' C ' ' A' ' 74' ' ' MET . 1.3 t -72.1 -40.11 68.41 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 110.394 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.8 ptm -70.56 -42.01 71.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.879 -1.138 . . . . 0.0 111.129 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.554 -1.341 . . . . 0.0 109.135 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 39.2 m -59.78 -39.5 85.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -0.875 . . . . 0.0 108.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.494 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.8 m -52.0 -42.13 62.75 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.05 82.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.58 -33.21 71.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -59.89 -40.96 90.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.76 -1.212 . . . . 0.0 108.93 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' B' ' 86' ' ' GLU . 53.1 mp0 -62.0 -38.93 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.974 -1.079 . . . . 0.0 108.894 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -81.8 -40.7 22.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.981 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 30.4 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 46' ' ' GLU . 2.9 ptm180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.345 0.593 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 22.0 p-80 -60.16 -39.94 88.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 108.905 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 78.9 tttt -59.91 -31.68 70.05 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.468 -0.77 . . . . 0.0 109.43 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 7.7 ttpm? -59.86 -40.14 87.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.179 . . . . 0.0 108.866 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.15 -24.85 58.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 55' ' ' LYS . 26.7 mmt -60.4 -24.8 65.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.806 -1.184 . . . . 0.0 110.297 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -53.9 -26.24 24.1 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.526 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.9 tppt? -72.7 -41.96 64.73 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.308 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -60.18 -35.31 75.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.462 -0.774 . . . . 0.0 109.631 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 . -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' B' ' 46' ' ' GLU . 2.7 ptm180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 21.1 p-80 -60.02 -40.12 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.147 -0.971 . . . . 0.0 108.951 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.544 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 78.7 tttt -59.9 -31.62 69.98 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.445 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 7.6 ttpm? -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.909 -1.119 . . . . 0.0 108.868 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.5 tp -75.31 -24.9 57.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.0 109.315 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.613 ' SD ' ' NZ ' ' B' ' 55' ' ' LYS . 24.6 mmt -60.21 -24.76 65.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.805 -1.185 . . . . 0.0 110.265 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -54.01 -26.33 25.68 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -72.41 -42.4 65.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.8 p -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.48 -0.762 . . . . 0.0 109.719 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 . -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 3' ' ' LEU . 6.3 m 59.76 22.26 11.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.519 -0.738 . . . . 0.0 110.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -76.32 15.52 0.58 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 108.796 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 1' ' ' SER . 59.3 tp -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.616 -0.677 . . . . 0.0 110.303 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.839 -1.163 . . . . 0.0 110.356 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -71.59 -39.66 70.41 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.248 -0.907 . . . . 0.0 110.281 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.32 83.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.045 -1.035 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.37 -40.0 95.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.165 -0.959 . . . . 0.0 109.945 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.47 -37.84 80.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.58 94.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.951 -0.468 . . . . 0.0 111.702 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.651 -1.281 . . . . 0.0 108.129 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -67.59 -37.66 79.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 O-C-N 121.642 -0.661 . . . . 0.0 111.008 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.18 -40.59 86.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.682 -1.261 . . . . 0.0 111.818 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -40.67 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 70' ' ' PHE . 83.3 t80 -60.03 -39.97 87.7 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.21 -0.931 . . . . 0.0 109.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -64.12 -28.64 69.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.868 -1.145 . . . . 0.0 110.594 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -59.99 -42.7 94.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.809 -1.182 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.19 -40.71 12.69 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.858 -1.151 . . . . 0.0 112.539 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.843 -1.161 . . . . 0.0 110.403 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.81 83.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -60.02 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.046 -1.267 . . . . 0.0 109.889 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.74 -73.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.248 -0.908 . . . . 0.0 109.108 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.97 -24.32 0.05 OUTLIER Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.317 -1.421 . . . . 0.0 110.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.6 m-20 -80.67 84.34 6.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.803 -1.41 . . . . 0.0 109.562 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.04 -39.2 75.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.57 -0.706 . . . . 0.0 110.068 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.42 -0.57 57.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.227 -0.921 . . . . 0.0 110.703 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 20.4 ttpp -148.17 155.25 41.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.768 -1.208 . . . . 0.0 110.016 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.41 136.52 54.12 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 62.2 tttp -106.63 153.24 22.66 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.998 -1.063 . . . . 0.0 110.295 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -23.16 0.37 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 108.689 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 99.0 p -76.88 -48.22 18.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.05 -35.82 78.87 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 tp -60.03 -43.53 95.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.74 -0.6 . . . . 0.0 109.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 65.0 tttm -61.79 -40.0 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.869 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.5 -33.63 74.48 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.963 -1.086 . . . . 0.0 108.774 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.0 -51.89 54.29 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.086 -1.009 . . . . 0.0 108.998 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.03 -42.84 79.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.188 -0.945 . . . . 0.0 111.571 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 38' ' ' ASN . 19.0 t-20 -70.1 -40.01 75.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 112.171 -178.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.654 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.5 m120 -98.23 -39.95 8.6 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.299 -0.876 . . . . 0.0 112.498 -176.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -70.03 -33.99 72.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.565 -1.335 . . . . 0.0 108.236 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mt -119.87 40.97 3.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.918 -0.489 . . . . 0.0 110.002 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -60.49 -51.21 70.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.981 -1.075 . . . . 0.0 110.351 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.42 -22.85 12.13 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.342 -0.849 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.96 -29.72 66.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.983 -1.073 . . . . 0.0 110.56 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.0 tp -136.02 -144.54 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.119 -0.988 . . . . 0.0 109.221 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -95.12 109.77 21.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 110.229 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 147.32 53.24 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -95.17 142.35 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.026 -1.046 . . . . 0.0 109.798 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 -18.98 11.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.732 -0.605 . . . . 0.0 110.143 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -130.1 148.15 51.92 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.275 -0.891 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.5 mm100 -69.72 -24.9 63.63 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 7.7 pt-20 -60.74 -40.0 90.8 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.54 -0.725 . . . . 0.0 111.213 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 64.9 t -60.56 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.047 -1.033 . . . . 0.0 108.948 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.7 t -65.72 -40.01 86.55 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.537 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.5 -40.07 90.02 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.504 -0.748 . . . . 0.0 110.046 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.8 -39.98 87.95 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.9 -31.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.616 ' O ' ' N ' ' A' ' 61' ' ' ASP . 85.2 mmm -69.98 -30.5 67.86 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 119.449 -0.901 . . . . 0.0 109.034 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -57.3 -39.53 75.95 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.081 -1.637 . . . . 0.0 106.839 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -76.69 -45.16 30.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.756 -0.59 . . . . 0.0 111.381 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 mt -87.96 -16.94 32.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.834 -1.166 . . . . 0.0 110.691 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.616 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.0 t0 -79.66 60.53 3.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.66 -39.28 80.18 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.09 -15.87 63.05 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.92 31.79 81.98 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 8.9 p-10 -107.61 7.69 28.76 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.219 -1.165 . . . . 0.0 110.354 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 1.0 87.02 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 14.2 pt-20 -140.33 145.83 37.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.37 139.49 49.43 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.01 170.01 17.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.351 -0.843 . . . . 0.0 109.534 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 15.3 t80 -52.88 -40.63 63.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.028 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.13 -0.981 . . . . 0.0 110.614 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.49 -39.98 92.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.545 -1.347 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.45 -33.05 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.251 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 76.8 mmm -59.84 -36.68 77.34 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.754 -0.591 . . . . 0.0 109.434 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.52 72.47 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.899 -1.126 . . . . 0.0 110.471 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.97 -39.96 87.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.919 -1.113 . . . . 0.0 109.075 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.98 -37.95 74.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-O 121.208 0.528 . . . . 0.0 110.088 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -64.46 -39.98 94.85 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.253 -0.904 . . . . 0.0 109.288 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.0 mtp -67.22 -46.01 75.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.699 -0.625 . . . . 0.0 112.022 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.31 -34.15 61.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.825 -1.172 . . . . 0.0 110.277 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -60.76 -40.02 90.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 108.749 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.509 ' H ' ' HG1' ' A' ' 82' ' ' THR . 2.0 m -54.25 -34.65 61.25 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.34 89.39 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.138 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.8 m -59.97 -34.83 73.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.529 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.67 -39.72 81.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.0 109.198 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -40.02 87.82 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.195 -0.941 . . . . 0.0 108.521 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.85 -39.97 16.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.943 . . . . 0.0 109.796 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.255 -0.903 . . . . 0.0 108.821 -179.135 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.248 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.496 ' C ' ' H ' ' B' ' 3' ' ' LEU . 6.6 m 59.8 21.99 10.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.436 -0.79 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.12 15.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.246 -0.909 . . . . 0.0 108.825 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.9 tp -59.98 -31.63 70.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.572 -0.705 . . . . 0.0 110.156 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.01 -40.02 87.79 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.776 -1.203 . . . . 0.0 110.297 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -71.52 -39.63 70.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.343 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.17 83.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.072 -1.017 . . . . 0.0 111.042 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.1 mtt -62.4 -40.03 95.19 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 110.006 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.38 -38.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.86 95.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.953 -0.467 . . . . 0.0 111.777 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.96 -40.02 87.63 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.497 -1.377 . . . . 0.0 108.128 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -67.43 -37.74 79.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 O-C-N 121.68 -0.638 . . . . 0.0 111.004 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -67.12 -40.56 86.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.603 -1.311 . . . . 0.0 111.924 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -40.72 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.02 -1.05 . . . . 0.0 110.17 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.416 ' CD2' ' CD1' ' B' ' 70' ' ' PHE . 83.1 t80 -59.98 -39.94 87.43 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.163 -0.961 . . . . 0.0 109.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -64.34 -28.36 69.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.875 -1.14 . . . . 0.0 110.549 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -60.07 -42.69 95.11 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 110.217 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -89.27 -40.65 12.68 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 112.617 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.437 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 59.9 p -60.08 -40.03 88.13 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.818 -1.176 . . . . 0.0 110.369 -178.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.437 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -82.4 -10.88 82.92 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.93 -48.95 79.62 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.106 -1.232 . . . . 0.0 109.843 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -85.8 -73.5 0.45 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.219 -0.926 . . . . 0.0 109.152 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.56 -25.09 0.05 OUTLIER Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.385 -1.388 . . . . 0.0 110.474 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.2 m-20 -80.41 84.43 6.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.849 -1.383 . . . . 0.0 109.683 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -70.05 -39.05 75.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.545 -0.722 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -88.61 -0.4 57.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.209 -0.932 . . . . 0.0 110.73 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 20.7 ttpp -148.41 155.09 40.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.805 -1.184 . . . . 0.0 109.987 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 tp -124.32 136.65 54.27 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' B' ' 30' ' ' SER . 61.8 tttp -106.78 153.28 22.7 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.001 -1.062 . . . . 0.0 110.251 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -23.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.048 -1.033 . . . . 0.0 108.679 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.646 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 93.7 p -76.82 -48.43 18.55 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.646 ' N ' ' HG ' ' B' ' 30' ' ' SER . 45.3 mt-10 -67.53 -36.17 80.48 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 41.1 tp -60.0 -43.55 95.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.807 -0.558 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 65.2 tttm -61.81 -40.02 93.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.089 -1.007 . . . . 0.0 110.911 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.34 -33.81 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.937 -1.102 . . . . 0.0 108.729 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.89 -51.95 54.28 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.058 -1.027 . . . . 0.0 108.977 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.0 mt -70.03 -42.68 79.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.15 -0.969 . . . . 0.0 111.648 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.539 ' C ' HD21 ' B' ' 38' ' ' ASN . 18.8 t-20 -70.11 -39.96 75.2 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 112.236 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.654 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.5 m120 -98.28 -39.95 8.58 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.323 -0.861 . . . . 0.0 112.54 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -70.01 -34.14 72.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.455 -1.403 . . . . 0.0 108.191 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.9 41.05 3.27 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.967 -0.458 . . . . 0.0 110.005 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 t -60.6 -51.0 71.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.032 -1.042 . . . . 0.0 110.287 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -108.66 -22.58 12.18 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.352 -0.842 . . . . 0.0 110.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.95 -30.05 67.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.513 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.498 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.4 tp -135.69 -144.27 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.152 -0.968 . . . . 0.0 109.191 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.498 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -95.22 109.62 21.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.07 147.35 53.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -95.2 142.16 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.044 -1.035 . . . . 0.0 109.937 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -19.5 11.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.732 -0.605 . . . . 0.0 110.27 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.04 148.41 51.88 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.305 -0.872 . . . . 0.0 110.702 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 7.5 mm100 -69.69 -24.86 63.64 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 7.9 pt-20 -60.69 -40.08 90.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 111.244 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 68.3 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.905 -1.122 . . . . 0.0 108.836 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 65.5 t -65.76 -39.95 86.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.583 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.59 -39.95 89.96 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.525 -0.735 . . . . 0.0 110.003 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -66.98 -39.97 87.31 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.0 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.613 ' O ' ' N ' ' B' ' 61' ' ' ASP . 85.5 mmm -70.07 -30.34 67.56 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.438 -0.905 . . . . 0.0 108.983 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -57.45 -39.44 76.32 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.055 -1.653 . . . . 0.0 106.805 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.8 m -76.8 -45.01 30.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 mt -88.0 -17.03 32.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.862 -1.149 . . . . 0.0 110.764 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.3 t0 -79.74 60.57 3.44 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.67 -39.2 79.97 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.03 -16.15 63.12 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.21 31.74 81.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 8.0 p-10 -107.61 7.63 28.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -1.152 . . . . 0.0 110.286 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.04 1.07 87.24 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 14.3 pt-20 -140.42 145.93 37.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.56 139.59 49.46 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -78.09 169.79 17.69 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.503 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.416 ' CD1' ' CD2' ' B' ' 14' ' ' PHE . 15.4 t80 -52.63 -40.84 63.18 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 121.247 -0.908 . . . . 0.0 109.011 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.78 -40.06 95.74 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.129 -0.982 . . . . 0.0 110.634 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.52 -39.97 92.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.511 -1.368 . . . . 0.0 109.631 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -66.17 -33.14 75.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 109.314 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.94 -36.7 77.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.625 -0.672 . . . . 0.0 109.444 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -32.57 72.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.461 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.879 -1.138 . . . . 0.0 109.07 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.99 -37.86 74.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.222 0.534 . . . . 0.0 110.038 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.1 t -64.52 -39.99 94.8 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.0 mtp -66.99 -46.14 75.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.739 -0.601 . . . . 0.0 112.219 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.6 t -69.52 -34.0 59.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 O-C-N 120.911 -1.118 . . . . 0.0 110.219 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.88 -40.0 91.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.3 -0.875 . . . . 0.0 108.703 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -54.34 -34.8 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.25 88.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.156 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 78.5 m -60.01 -34.93 74.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 109.551 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.64 -39.58 80.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -39.96 87.6 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.22 -0.925 . . . . 0.0 108.621 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.96 -39.92 16.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 109.73 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.496 1.846 0 O-C-N 121.238 -0.914 . . . . 0.0 108.838 -179.165 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' X' ' 109' ' ' MET . 54.1 t60 -60.51 -39.96 89.68 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.84 . . . . 0.0 108.895 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.11 -30.2 64.17 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.05 -40.4 89.28 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.7 tp -65.84 -38.43 88.85 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.237 -0.914 . . . . 0.0 109.556 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -48.55 -24.55 1.35 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.801 -1.187 . . . . 0.0 109.832 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.557 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -40.69 -48.06 2.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.047 -1.033 . . . . 0.0 109.998 -179.174 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.557 ' NZ ' ' CZ ' ' X' ' 110' ' ' PHE . 1.3 ptpm? -74.22 -32.34 62.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.884 . . . . 0.0 110.54 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' X' ' 109' ' ' MET . 66.8 p -60.02 -36.98 78.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.733 -1.229 . . . . 0.0 108.24 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.542 -0.724 . . . . 0.0 . 179.509 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 55.4 t60 -60.41 -40.04 89.53 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.307 -0.871 . . . . 0.0 108.891 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.04 -30.34 64.15 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.97 -40.52 89.35 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.689 -1.204 . . . . 0.0 107.826 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.54 -38.92 91.01 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.276 -0.89 . . . . 0.0 109.613 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -48.23 -24.47 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.769 -1.207 . . . . 0.0 109.868 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.544 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -40.71 -48.15 2.93 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.032 -1.042 . . . . 0.0 109.975 -179.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 1.4 ptpm? -74.22 -32.4 62.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 110.505 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 57.8 p -59.96 -36.49 77.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.678 -1.263 . . . . 0.0 108.364 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.571 -0.705 . . . . 0.0 . 179.533 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m 60.03 27.9 17.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.455 -0.778 . . . . 0.0 109.783 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -75.73 -9.92 59.0 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.767 0.794 . . . . 0.0 108.989 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.5 tp -46.17 -19.66 0.08 Allowed 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.603 -0.686 . . . . 0.0 110.594 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' GLU . 96.6 mt-10 -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.533 -1.354 . . . . 0.0 110.208 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -32.69 37.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.067 -1.021 . . . . 0.0 110.047 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.82 76.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.282 -0.886 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 mtt -68.18 -39.94 82.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.887 -1.133 . . . . 0.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.32 -39.76 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.729 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.9 74.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.517 -0.739 . . . . 0.0 110.975 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -40.04 87.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 11' ' ' ILE . 81.1 mt -69.87 -37.32 72.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.277 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.09 -46.04 90.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.952 -1.093 . . . . 0.0 111.008 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -40.01 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.035 -1.04 . . . . 0.0 108.753 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.97 -39.95 75.57 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -70.01 -24.13 63.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.149 -0.969 . . . . 0.0 110.223 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.98 -44.23 94.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.788 -1.195 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -91.46 -34.91 14.63 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.894 -1.129 . . . . 0.0 111.697 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.425 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 8.4 p -60.03 -39.74 86.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.09 -1.006 . . . . 0.0 109.858 -178.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.425 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -77.16 -9.06 86.99 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 34.1 ttt-85 -60.0 -46.33 89.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.043 -1.269 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -115.01 170.86 8.03 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.554 -0.716 . . . . 0.0 109.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.71 -29.63 26.15 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.431 -0.793 . . . . 0.0 111.421 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 64.9 m-20 -69.92 68.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.614 -1.521 . . . . 0.0 109.535 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.0 mtmt -63.25 -39.95 96.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.524 -0.735 . . . . 0.0 110.56 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -98.47 4.29 48.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.124 -0.985 . . . . 0.0 110.869 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -140.17 157.3 45.82 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.941 -1.1 . . . . 0.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.8 123.65 46.47 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.8 tttp -96.35 150.6 20.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.832 -1.167 . . . . 0.0 108.75 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' LYS . 29.8 ttmt -38.39 -27.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.513 0.673 . . . . 0.0 109.961 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -79.91 -49.97 11.14 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.1 mt-10 -64.67 -38.21 90.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.0 -42.37 94.13 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.553 -0.717 . . . . 0.0 109.651 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.92 -39.99 91.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.178 -0.951 . . . . 0.0 110.206 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 49.6 mt-10 -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 109.116 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.4 tm? -59.99 -49.89 75.9 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 108.264 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.91 -48.29 45.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 112.323 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.4 t-20 -71.2 -40.66 71.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.028 -1.045 . . . . 0.0 113.322 -176.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.438 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 4.6 m120 -96.55 -31.62 12.67 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.121 -0.987 . . . . 0.0 113.583 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -82.01 -10.0 59.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 119.983 -1.698 . . . . 0.0 109.185 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.56 56.25 1.57 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.6 -0.687 . . . . 0.0 109.252 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -60.02 -39.93 87.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 110.196 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.17 -16.67 1.06 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.071 -1.018 . . . . 0.0 110.795 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.78 -41.35 97.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.708 -1.245 . . . . 0.0 109.244 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.28 159.99 39.27 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -58.66 111.35 1.23 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.598 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.6 149.33 48.26 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.788 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -79.96 140.01 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.095 -1.003 . . . . 0.0 108.655 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.495 ' HZ3' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -109.12 -10.76 14.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.674 -0.641 . . . . 0.0 111.642 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -139.93 141.02 36.52 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.927 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -60.19 -29.81 68.95 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.686 -0.634 . . . . 0.0 110.625 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -59.91 -38.37 82.13 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.048 -1.033 . . . . 0.0 110.408 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -59.96 -39.99 81.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.849 -1.157 . . . . 0.0 108.199 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.97 -38.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.846 -0.534 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 55.1 t0 -63.26 -38.7 92.18 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.824 0.821 . . . . 0.0 109.586 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -67.23 -40.03 86.32 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -64.69 -30.53 50.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.4 mtt -69.18 -34.37 74.83 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.42 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.23 -40.0 76.64 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.035 -1.666 . . . . 0.0 107.503 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.81 -41.06 13.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.638 -0.664 . . . . 0.0 111.031 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.0 tp -86.3 -20.25 28.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.053 -1.03 . . . . 0.0 110.585 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 57' ' ' MET . 33.8 t0 -82.03 65.64 7.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.48 -40.02 77.69 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.316 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.0 p-10 -82.39 -9.09 59.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.03 41.26 97.89 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 38.3 p-10 -106.34 1.98 26.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.249 -1.148 . . . . 0.0 108.868 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.06 11.97 83.85 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 48.0 mt-10 -149.69 130.71 14.37 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 9.2 p -88.69 125.61 34.93 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.556 -1.34 . . . . 0.0 108.64 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.45 160.01 33.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 110.216 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.36 -38.11 12.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.382 -0.824 . . . . 0.0 108.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.97 -39.69 75.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.41 -0.806 . . . . 0.0 110.071 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -68.33 -40.04 81.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.453 -1.405 . . . . 0.0 109.557 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.82 -33.11 74.95 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.079 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -39.8 86.39 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.41 0.624 . . . . 0.0 110.473 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.19 75.56 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.558 -1.339 . . . . 0.0 110.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.389 -0.819 . . . . 0.0 109.853 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -39.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 O-C-N 121.713 -0.617 . . . . 0.0 110.256 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -66.15 -38.65 88.63 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.996 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.3 mtp -67.69 -40.67 84.33 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.411 -0.806 . . . . 0.0 111.507 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.03 -38.89 76.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 C-N-CA 118.571 -1.251 . . . . 0.0 109.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.07 -40.01 88.01 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -53.79 -37.85 63.92 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.92 81.54 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.8 t -60.0 -38.28 82.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 109.842 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.428 ' NE2' ' HE2' ' B' ' 15' ' ' HIS . 14.9 t-80 -59.92 -39.96 87.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.899 -1.125 . . . . 0.0 108.348 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -38.57 82.8 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.09 -24.92 34.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 108.973 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.436 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 60.09 28.03 17.53 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.453 -0.779 . . . . 0.0 109.832 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -75.78 -9.51 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.706 0.765 . . . . 0.0 109.007 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -46.36 -19.75 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.566 -0.709 . . . . 0.0 110.643 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 2' ' ' GLU . 96.6 mt-10 -69.93 -40.15 75.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.625 -1.297 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -32.48 36.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 110.024 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -39.91 76.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.317 -0.865 . . . . 0.0 110.708 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.3 mtt -68.35 -39.95 81.7 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.99 -1.069 . . . . 0.0 110.01 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.2 -39.87 86.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 119.142 -1.023 . . . . 0.0 109.833 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.74 74.58 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.494 -0.754 . . . . 0.0 110.862 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.09 88.1 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.405 HD13 HG23 ' B' ' 11' ' ' ILE . 81.2 mt -69.79 -37.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.32 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.06 -46.12 90.62 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.935 -1.103 . . . . 0.0 110.987 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -39.92 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.041 -1.037 . . . . 0.0 108.813 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.11 -40.02 76.21 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.428 ' HE2' ' NE2' ' A' ' 85' ' ' HIS . 30.9 m170 -69.99 -23.92 63.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.11 -0.994 . . . . 0.0 110.337 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.99 -44.15 94.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.652 -1.28 . . . . 0.0 109.88 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -91.44 -35.14 14.52 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.893 -1.129 . . . . 0.0 111.804 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.02 -39.62 86.48 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.068 -1.02 . . . . 0.0 109.81 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -9.19 86.89 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.49 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 33.3 ttt-85 -60.02 -46.43 89.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.116 -1.226 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.92 171.02 7.91 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.524 0.678 . . . . 0.0 109.618 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.73 -29.59 26.19 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.493 -0.754 . . . . 0.0 111.45 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD2' ' OE2' ' B' ' 31' ' ' GLU . 64.8 m-20 -69.92 68.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.614 -1.521 . . . . 0.0 109.506 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' B' ' 22' ' ' GLY . 50.8 mtmt -63.41 -39.93 95.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.455 -0.778 . . . . 0.0 110.5 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -98.35 3.62 48.58 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.19 -0.944 . . . . 0.0 110.902 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.95 157.2 46.07 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.033 -1.042 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.47 123.55 46.62 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.9 tttp -96.61 150.47 20.62 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.85 -1.157 . . . . 0.0 108.698 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.2 ttmt -38.2 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.5 0.667 . . . . 0.0 109.997 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.503 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.5 t -79.41 -50.0 11.48 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 28' ' ' LYS . 36.0 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.508 -0.745 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -61.1 -39.95 91.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -0.935 . . . . 0.0 110.188 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.49 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 49.8 mt-10 -63.13 -39.92 96.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.378 -0.826 . . . . 0.0 109.179 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.4 tm? -60.12 -49.84 76.06 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.758 -1.214 . . . . 0.0 108.243 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.426 HD12 HG23 ' B' ' 36' ' ' ILE . 76.1 mt -72.79 -48.31 46.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.625 -0.672 . . . . 0.0 112.395 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.432 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.5 t-20 -71.46 -40.52 70.25 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.012 -1.055 . . . . 0.0 113.309 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.432 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 4.8 m120 -96.62 -31.44 12.72 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.972 -1.08 . . . . 0.0 113.543 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.18 -9.91 59.34 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 119.959 -1.713 . . . . 0.0 109.174 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 36.3 mt -127.7 56.37 1.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.248 -0.907 . . . . 0.0 110.126 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.09 -16.58 1.08 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.178 -0.951 . . . . 0.0 110.866 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.92 -41.0 97.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.735 -1.228 . . . . 0.0 109.225 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -134.56 160.07 39.21 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -58.8 111.34 1.25 Allowed 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.662 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.59 149.02 48.61 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.2 mt -79.61 140.12 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.105 -0.997 . . . . 0.0 108.746 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.655 ' HZ3' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -109.32 -10.49 14.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 111.568 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -139.93 140.78 36.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.858 -1.151 . . . . 0.0 110.041 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.02 -29.76 68.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.775 -0.578 . . . . 0.0 110.585 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -59.94 -38.42 82.37 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.993 -1.067 . . . . 0.0 110.387 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.11 -39.8 81.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.831 -1.168 . . . . 0.0 108.255 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -38.33 81.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.809 -0.557 . . . . 0.0 109.814 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 54.8 t0 -63.3 -38.78 92.48 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.786 0.803 . . . . 0.0 109.567 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -67.23 -39.95 86.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.77 -30.6 50.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.566 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.4 mtt -68.87 -34.72 75.9 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.337 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.15 -40.07 76.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.935 -1.728 . . . . 0.0 107.546 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.68 -40.95 13.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.637 -0.665 . . . . 0.0 111.034 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -86.17 -20.29 28.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.518 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' B' ' 57' ' ' MET . 33.6 t0 -82.01 65.31 7.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.05 -40.09 76.15 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.345 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.0 p-10 -82.56 -9.0 59.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.082 -1.011 . . . . 0.0 109.204 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.75 41.33 97.49 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 37.9 p-10 -106.21 2.05 26.56 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.129 -1.218 . . . . 0.0 108.736 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.482 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.95 12.43 83.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 50.1 mt-10 -150.02 130.02 13.47 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 10.7 p -88.18 125.58 34.69 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.426 -1.421 . . . . 0.0 108.713 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.19 159.97 33.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 110.197 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -37.93 13.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.821 . . . . 0.0 108.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.98 -39.73 75.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.32 -0.862 . . . . 0.0 110.08 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.41 -40.03 81.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.39 -1.444 . . . . 0.0 109.376 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -32.98 74.63 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 109.058 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -39.78 86.74 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.719 -0.613 . . . . 0.0 110.568 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.0 75.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 120.617 -1.302 . . . . 0.0 110.344 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -39.9 87.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.407 -0.808 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -39.15 79.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 O-C-N 121.731 -0.606 . . . . 0.0 110.25 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -65.96 -39.01 90.02 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.948 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.7 mtp -67.59 -40.99 84.78 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 111.538 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.03 -38.86 76.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.352 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.3 m -60.05 -40.04 88.04 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -53.96 -37.66 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.97 -38.34 82.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.493 -0.755 . . . . 0.0 110.064 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.85 -1.156 . . . . 0.0 108.354 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -82.08 -24.87 34.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 108.949 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.457 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.495 HH11 ' HZ3' ' A' ' 48' ' ' LYS . 97.0 mtt180 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.485 0.66 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.0 p-80 -59.79 -32.06 70.27 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.908 -1.12 . . . . 0.0 108.751 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.543 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.8 tttt -59.96 -31.85 70.27 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 25.9 ttpp -59.69 -40.08 86.7 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.82 -33.78 75.95 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.586 -0.696 . . . . 0.0 110.289 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -62.37 -24.46 67.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.634 -1.291 . . . . 0.0 110.117 -179.519 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.04 -35.62 5.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.981 -1.074 . . . . 0.0 109.93 -178.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.609 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.29 -35.12 41.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.844 -1.16 . . . . 0.0 108.815 178.608 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' X' ' 109' ' ' MET . 67.7 p -58.58 -32.11 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.552 -0.717 . . . . 0.0 . 179.091 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.655 HH11 ' HZ3' ' B' ' 48' ' ' LYS . 97.3 mtt180 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.489 0.661 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.555 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.9 p-80 -59.83 -31.88 70.14 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.964 -1.085 . . . . 0.0 108.789 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.555 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.1 tttt -59.98 -31.86 70.3 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 26.2 ttpp -59.84 -40.0 87.04 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.86 -33.48 75.36 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.548 0.69 . . . . 0.0 110.364 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.512 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -62.48 -24.4 67.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.578 -1.327 . . . . 0.0 110.094 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.05 -35.97 5.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.943 -1.098 . . . . 0.0 109.818 -178.537 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.607 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -78.98 -34.29 44.36 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.84 -1.163 . . . . 0.0 109.016 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -30.93 69.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.556 -0.715 . . . . 0.0 . 179.134 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' HG ' ' A' ' 1' ' ' SER . 98.6 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.297 0.57 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.477 ' HG ' ' C ' ' A' ' 0' ' ' MET . 94.9 p 48.41 16.53 0.1 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.262 -0.899 . . . . 0.0 109.887 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -73.28 -10.04 59.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.347 -0.846 . . . . 0.0 109.148 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 tp -43.05 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.594 -0.691 . . . . 0.0 110.238 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 2' ' ' GLU . 21.3 pt-20 -69.97 -36.58 75.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.92 -1.112 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -75.15 -31.69 61.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.742 -1.224 . . . . 0.0 109.219 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.87 -41.16 75.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 110.761 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -62.44 -40.37 96.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.056 . . . . 0.0 109.688 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.21 -37.99 80.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.563 0.697 . . . . 0.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.35 93.89 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.718 -0.614 . . . . 0.0 111.331 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.774 -1.204 . . . . 0.0 108.347 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.24 -39.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 O-C-N 121.548 -0.72 . . . . 0.0 110.943 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.58 -40.28 96.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.501 -1.374 . . . . 0.0 111.581 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -39.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.115 -0.991 . . . . 0.0 110.111 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.63 -39.95 86.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.984 -1.072 . . . . 0.0 108.959 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 108.842 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.473 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 2.6 tm0? -59.99 -41.85 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.612 -0.68 . . . . 0.0 110.828 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 61.5 m-85 -99.16 -24.53 14.84 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.009 -1.057 . . . . 0.0 112.039 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.923 -1.111 . . . . 0.0 109.472 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.11 -7.86 84.73 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -59.99 -47.84 84.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.058 -1.26 . . . . 0.0 109.152 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -115.13 156.08 25.91 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.97 -20.71 0.76 Allowed Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 8.5 m-20 -74.84 62.29 1.08 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.757 -1.437 . . . . 0.0 110.081 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 109.026 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.08 -20.21 56.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.746 -0.596 . . . . 0.0 111.893 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -149.44 161.76 41.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.553 -1.342 . . . . 0.0 110.737 -178.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.95 141.22 39.92 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.636 -0.665 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' SER . 8.0 mtpm? -107.3 152.32 24.29 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' LYS . 31.7 ttmt -40.97 -27.6 0.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.39 -0.819 . . . . 0.0 109.74 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LYS . 74.7 m -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 63.3 tt0 -70.03 -33.56 72.14 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.91 -40.97 95.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.593 -0.692 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 88.5 tttt -60.72 -39.9 90.3 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.602 -0.686 . . . . 0.0 110.142 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.48 -40.04 96.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.875 . . . . 0.0 109.047 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 7.4 tt -62.53 -49.98 73.17 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.007 -1.058 . . . . 0.0 108.981 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.81 -44.16 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.174 -0.953 . . . . 0.0 111.874 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 2.0 m-80 -68.54 -40.04 80.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.886 -1.134 . . . . 0.0 112.184 -176.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -98.56 -36.03 10.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.424 -0.797 . . . . 0.0 112.73 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 22.9 tt0 -70.01 -26.96 64.31 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.424 -1.423 . . . . 0.0 108.745 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.58 51.66 1.7 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.976 -1.078 . . . . 0.0 110.082 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -129.11 -18.6 3.68 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.367 -0.833 . . . . 0.0 109.879 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -64.91 -39.28 93.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.521 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.1 tp -127.8 -145.06 0.3 Allowed 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.216 -0.928 . . . . 0.0 109.395 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.7 tt0 -92.75 107.22 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.43 140.03 58.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -92.45 132.1 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 108.946 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -105.0 -26.12 12.28 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.85 140.02 52.36 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.573 0.701 . . . . 0.0 110.314 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -65.44 -21.04 66.61 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.2 pt-20 -60.08 -39.52 86.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.316 -0.865 . . . . 0.0 110.326 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 79.0 t -60.05 -39.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.996 -1.065 . . . . 0.0 108.155 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.96 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.23 -39.97 88.58 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.05 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.06 -39.96 86.98 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 122.238 1.018 . . . . 0.0 108.667 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.1 -28.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 mtt -69.74 -28.9 66.18 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.759 -0.777 . . . . 0.0 108.975 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.96 -39.94 87.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -84.85 -39.57 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.739 -0.601 . . . . 0.0 111.105 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.15 -18.05 29.62 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.796 -1.19 . . . . 0.0 110.819 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.1 t0 -80.08 63.05 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.74 -36.53 76.79 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.745 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.5 -11.1 59.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.54 30.92 75.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.4 p-10 -107.82 6.16 27.19 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.072 -1.252 . . . . 0.0 109.973 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.72 10.63 86.02 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -140.25 143.0 35.73 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 4.9 p -108.92 126.6 53.25 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.061 -1.025 . . . . 0.0 108.623 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.2 t0 -73.07 168.42 19.09 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.796 -0.565 . . . . 0.0 109.639 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.555 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.5 t80 -54.26 -40.28 67.64 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 108.945 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.09 -39.66 86.8 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.03 -40.21 94.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.881 -1.137 . . . . 0.0 110.405 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.79 -36.63 82.85 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mmm -59.97 -39.1 84.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.296 0.569 . . . . 0.0 111.448 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.32 -35.2 77.44 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.549 -1.345 . . . . 0.0 110.764 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.1 -35.83 76.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.114 -0.991 . . . . 0.0 109.401 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.9 t -60.2 -39.98 82.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.974 0 O-C-N 121.634 -0.666 . . . . 0.0 109.759 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.454 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 42.4 m -60.9 -40.09 91.8 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.945 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 mtm -74.61 -42.01 59.39 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 118.799 -1.16 . . . . 0.0 111.525 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.25 -39.95 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.686 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.98 -39.47 85.8 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -54.38 -39.33 67.1 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.77 -33.72 72.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.675 -0.64 . . . . 0.0 109.63 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -59.94 -40.68 89.76 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 108.715 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -40.17 96.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.91 -39.51 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.615 0.721 . . . . 0.0 109.103 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.347 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.442 ' O ' ' N ' ' B' ' 2' ' ' GLU . 98.2 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.302 0.572 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 0' ' ' MET . 96.8 p 48.4 16.32 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.959 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -73.45 -9.49 58.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 109.169 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 tp -43.66 -21.98 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.489 -0.757 . . . . 0.0 110.246 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 2' ' ' GLU . 20.8 pt-20 -70.22 -36.53 74.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.877 -1.14 . . . . 0.0 110.888 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.77 -1.206 . . . . 0.0 109.207 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -41.16 75.84 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.823 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -62.29 -40.31 95.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.06 . . . . 0.0 109.975 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -37.76 79.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-O 121.469 0.652 . . . . 0.0 109.414 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.96 92.81 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.705 -0.622 . . . . 0.0 111.372 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.0 -39.89 87.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.723 -1.235 . . . . 0.0 108.261 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.404 HG22 HD12 ' B' ' 11' ' ' ILE . 82.6 mt -68.22 -39.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.577 -0.702 . . . . 0.0 110.85 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.27 -40.54 97.7 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.547 -1.346 . . . . 0.0 111.592 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -39.03 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.193 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -59.78 -39.97 86.7 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 108.991 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.3 -24.52 67.68 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.088 -1.008 . . . . 0.0 108.824 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.482 ' OE1' ' CE1' ' B' ' 17' ' ' TYR . 2.8 tm0? -60.02 -41.79 92.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.512 -0.742 . . . . 0.0 110.78 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.482 ' CE1' ' OE1' ' B' ' 16' ' ' GLN . 61.3 m-85 -99.18 -24.49 14.84 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.91 -1.119 . . . . 0.0 112.03 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.986 -1.071 . . . . 0.0 109.452 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.59 85.62 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' B' ' 20' ' ' ARG . 39.9 ttt-85 -60.03 -47.69 84.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.259 . . . . 0.0 109.177 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.97 155.74 26.37 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.1 -20.14 0.73 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 8.5 m-20 -75.19 62.47 1.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.834 -1.392 . . . . 0.0 109.924 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -61.2 -39.97 92.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -0.884 . . . . 0.0 109.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -77.31 -20.25 55.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.73 -0.606 . . . . 0.0 111.894 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.511 ' CB ' ' HZ2' ' B' ' 26' ' ' LYS . 0.6 OUTLIER -149.15 161.67 41.52 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.533 -1.354 . . . . 0.0 110.772 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.96 140.88 40.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.717 -0.615 . . . . 0.0 110.488 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.9 mtpm? -107.3 152.1 24.59 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.7 ttmt -40.59 -27.51 0.05 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.383 -0.823 . . . . 0.0 109.821 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -79.7 -48.79 13.09 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.677 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 63.5 tt0 -70.01 -33.85 72.54 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.66 -41.42 95.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 109.537 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.524 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 88.6 tttt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.184 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.54 -39.95 95.74 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.302 -0.874 . . . . 0.0 109.116 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.1 tt -62.59 -50.04 72.87 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 108.982 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.77 -44.29 76.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.204 -0.935 . . . . 0.0 111.953 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' B' ' 33' ' ' LYS . 2.2 m-80 -68.52 -39.97 80.98 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.962 -1.086 . . . . 0.0 112.158 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -98.63 -36.04 10.0 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 112.733 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 22.8 tt0 -69.98 -27.03 64.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.404 -1.435 . . . . 0.0 108.722 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -125.7 51.68 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -60.07 -40.82 90.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.011 -1.056 . . . . 0.0 110.068 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -129.5 -18.49 3.55 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.388 -0.82 . . . . 0.0 109.981 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -39.07 91.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.491 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.493 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.1 tp -127.75 -145.02 0.3 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.395 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -92.83 107.09 18.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.892 . . . . 0.0 109.155 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.47 140.01 58.0 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -92.51 132.16 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 108.946 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -105.03 -25.96 12.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.363 -0.836 . . . . 0.0 109.095 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -121.04 139.88 52.7 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.568 0.699 . . . . 0.0 110.291 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -65.43 -21.13 66.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.02 -39.61 86.47 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 0.0 110.364 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.94 -40.05 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.87 -39.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.41 -39.96 89.27 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.791 0.805 . . . . 0.0 110.166 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.306 1.05 . . . . 0.0 108.605 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.7 t -67.21 -28.26 41.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.556 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.1 mtt -69.87 -28.86 66.0 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.666 -0.814 . . . . 0.0 108.941 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -84.66 -39.6 18.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.779 -0.576 . . . . 0.0 111.117 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.14 -17.98 29.79 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.778 -1.201 . . . . 0.0 110.881 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.0 t0 -80.33 63.32 4.76 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -59.95 -36.5 77.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.764 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.0 m-20 -79.58 -10.97 59.89 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.45 76.91 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -108.27 6.52 26.66 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.141 -1.211 . . . . 0.0 109.961 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.526 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.55 10.49 86.15 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -140.36 142.92 35.51 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 4.9 p -108.84 126.61 53.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.013 -1.055 . . . . 0.0 108.462 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 53.3 t0 -73.22 168.4 19.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.785 -0.572 . . . . 0.0 109.58 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.561 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.5 t80 -54.1 -40.33 67.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.222 -0.924 . . . . 0.0 108.984 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.35 -39.09 85.72 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.032 -1.042 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.407 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 42.0 mt-10 -62.31 -40.16 95.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.8 -1.187 . . . . 0.0 110.459 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.01 -36.54 82.36 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 108.94 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -60.01 -39.06 84.51 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.22 0.533 . . . . 0.0 111.424 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.74 -34.75 76.14 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.562 -1.336 . . . . 0.0 110.764 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.07 -36.07 76.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.104 -0.997 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.8 t -59.98 -40.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 121.526 -0.734 . . . . 0.0 109.633 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.454 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 39.3 m -60.83 -40.13 91.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 111.034 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mtm -74.61 -42.18 59.1 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.453 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.09 -39.79 85.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.129 -0.982 . . . . 0.0 109.631 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.3 m -60.07 -39.62 86.69 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.53 -39.53 67.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.45 85.8 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' B' ' 88' ' ' PHE . 11.5 t -60.0 -33.69 72.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.682 -0.636 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.03 -40.54 89.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 108.713 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.62 -40.44 96.9 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -70.84 -38.98 73.24 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.609 0.719 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.346 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' X' ' 104' ' ' ARG . 51.5 mtt-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.341 0.591 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.7 p-80 -59.43 -34.98 73.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.666 -1.271 . . . . 0.0 108.94 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.557 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 45.7 mtpt -60.03 -28.75 68.0 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 83.9 tttt -57.97 -39.95 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.02 -28.59 62.45 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.708 -0.62 . . . . 0.0 110.208 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.56 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -55.29 -24.78 30.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.37 -1.457 . . . . 0.0 109.304 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.556 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -53.92 -27.36 30.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.538 -1.351 . . . . 0.0 109.304 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.556 ' NZ ' ' CZ ' ' X' ' 110' ' ' PHE . 0.2 OUTLIER -69.99 -39.89 75.64 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.636 -1.29 . . . . 0.0 107.948 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' X' ' 109' ' ' MET . 48.5 p -59.94 -34.59 73.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . 0.4 ' N ' ' HG1' ' X' ' 112' ' ' THR . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.364 -0.835 . . . . 0.0 . 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 52.0 mtt-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.309 0.576 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.564 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.8 p-80 -59.28 -35.13 73.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.702 -1.249 . . . . 0.0 108.989 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.0 mtpt -60.0 -28.59 67.84 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 83.8 tttt -57.9 -39.79 78.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.43 -28.29 61.9 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.647 -0.658 . . . . 0.0 110.108 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -55.44 -24.71 32.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.424 -1.422 . . . . 0.0 109.252 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.579 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -53.98 -27.41 31.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.521 -1.362 . . . . 0.0 109.388 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.579 ' NZ ' ' CZ ' ' Y' ' 110' ' ' PHE . 0.2 OUTLIER -70.04 -39.94 75.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.742 -1.224 . . . . 0.0 107.927 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 44.8 p -59.99 -33.94 72.64 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.524 -0.87 . . . . 0.0 108.961 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.349 -0.844 . . . . 0.0 . 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.6 m 56.85 30.55 18.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 0.0 109.348 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -74.8 5.48 4.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.318 -0.864 . . . . 0.0 108.869 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 1' ' ' SER . 32.7 tp -47.5 -21.01 0.28 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.669 -0.645 . . . . 0.0 109.936 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 109.5 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.423 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.47 -39.69 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 0.0 110.086 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.18 87.99 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 111.381 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.8 mtt -63.85 -39.95 95.41 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.967 -1.083 . . . . 0.0 109.596 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.94 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.67 -0.644 . . . . 0.0 109.856 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.62 -35.05 78.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.583 -0.698 . . . . 0.0 111.306 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -40.02 87.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.619 -1.3 . . . . 0.0 107.728 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.3 mt -69.59 -39.98 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.852 -0.53 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.89 -45.17 95.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.697 -1.252 . . . . 0.0 111.844 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -39.87 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.855 -1.153 . . . . 0.0 109.751 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 22.0 t80 -59.14 -39.94 83.94 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.014 -1.054 . . . . 0.0 109.379 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.73 -31.17 72.27 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.147 -0.97 . . . . 0.0 110.001 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' OE1' ' SD ' ' B' ' 0' ' ' MET . 71.9 tp60 -60.01 -41.34 91.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 110.683 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -91.96 -35.75 13.81 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.835 -1.166 . . . . 0.0 112.672 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.543 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 65.7 m -59.99 -40.38 88.95 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.89 -1.131 . . . . 0.0 110.555 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.23 -13.75 73.25 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.34 -46.41 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.075 -1.25 . . . . 0.0 110.474 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.99 -77.54 0.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.066 -1.021 . . . . 0.0 110.401 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 -29.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.275 -1.441 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -81.84 95.79 7.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.805 -1.409 . . . . 0.0 108.712 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.99 -40.01 75.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.91 . . . . 0.0 111.246 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.59 5.53 45.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.03 -1.044 . . . . 0.0 111.525 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' HZ1' ' CD ' ' A' ' 67' ' ' GLU . 31.8 ttpt -146.64 149.33 33.3 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.681 -1.262 . . . . 0.0 110.526 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 mt -117.44 137.69 52.34 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.721 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' SER . 8.3 mtmp? -102.04 155.5 18.14 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 pttm -49.99 -22.63 1.64 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 28' ' ' LYS . 69.9 m -75.74 -50.74 14.4 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.438 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.68 -35.74 80.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.721 -0.612 . . . . 0.0 109.61 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.96 -40.01 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.668 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.98 -35.95 79.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 108.876 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.6 tm? -60.74 -49.98 75.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.74 -1.225 . . . . 0.0 108.438 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.5 mt -73.99 -48.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 111.798 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 113.055 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.7 -35.76 10.46 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.145 -0.972 . . . . 0.0 113.183 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -80.0 -10.36 59.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.112 -1.617 . . . . 0.0 109.11 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.48 54.77 1.93 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.454 -0.779 . . . . 0.0 109.09 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -61.75 -39.99 93.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 110.436 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -131.49 -19.9 2.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.266 -0.896 . . . . 0.0 110.169 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.95 -40.03 94.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.994 -1.067 . . . . 0.0 109.825 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' HG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -130.93 167.06 19.62 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.259 -0.901 . . . . 0.0 108.836 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -52.62 106.04 0.14 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.16 140.03 58.17 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -82.26 138.06 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.95 -17.62 13.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.689 -0.632 . . . . 0.0 110.074 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -136.01 142.48 44.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.308 -0.87 . . . . 0.0 109.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -20.33 66.29 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.95 -38.88 83.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.617 -0.677 . . . . 0.0 109.844 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.0 -39.21 79.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.44 -31.78 54.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.981 -0.449 . . . . 0.0 109.832 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.29 81.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -70.13 -39.98 75.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.249 1.023 . . . . 0.0 108.643 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.1 -31.32 53.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.627 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -36.91 84.23 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.369 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 119.882 -1.761 . . . . 0.0 107.253 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -77.94 -44.99 25.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.581 -0.699 . . . . 0.0 111.444 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 24.2 mt -90.0 -14.99 32.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.836 -1.165 . . . . 0.0 111.245 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.6 t0 -80.84 61.09 4.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 72.9 m-20 -74.2 -11.11 60.2 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.26 29.93 72.63 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 8.0 p30 -106.8 3.84 26.9 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.238 -1.154 . . . . 0.0 109.686 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 81.06 2.25 90.37 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' CD ' ' HZ1' ' A' ' 26' ' ' LYS . 14.7 pt-20 -137.48 136.65 37.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.578 -0.954 . . . . 0.0 108.667 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.52 136.23 43.64 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.8 t0 -78.15 170.01 17.32 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.243 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.9 t80 -51.18 -39.96 57.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -61.3 -50.44 72.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.812 . . . . 0.0 111.026 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 81.7 mt-10 -61.42 -40.03 92.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -1.0 . . . . 0.0 110.417 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.97 -37.36 87.14 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.348 -0.845 . . . . 0.0 109.639 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 82.5 mmm -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.464 0.65 . . . . 0.0 110.48 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.27 79.59 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.01 -1.057 . . . . 0.0 110.957 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.02 -35.43 75.07 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.268 -0.895 . . . . 0.0 109.967 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.1 t -66.2 -37.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.407 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 4.0 m -65.19 -39.96 93.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.07 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 30.1 mtp -71.36 -42.48 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.089 -1.044 . . . . 0.0 111.095 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.05 -39.65 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.3 m -60.05 -39.11 84.83 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.32 -38.99 60.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.91 83.89 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.6 m -60.0 -36.75 77.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.782 -1.199 . . . . 0.0 109.408 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.89 -33.52 76.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.064 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.07 -30.03 21.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.363 -0.836 . . . . 0.0 109.672 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 108.633 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 16' ' ' GLN . 15.1 mmt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.239 0.542 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.1 m 57.03 30.28 17.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -74.67 5.29 5.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 108.926 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' B' ' 1' ' ' SER . 31.0 tp -46.95 -21.35 0.21 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.663 -0.648 . . . . 0.0 109.917 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.92 -40.03 75.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.987 -1.071 . . . . 0.0 109.615 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.428 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -73.6 -39.63 64.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.517 -0.739 . . . . 0.0 110.104 -179.385 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.25 -43.19 87.26 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.303 -0.873 . . . . 0.0 111.276 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -63.72 -40.01 95.7 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.941 -1.099 . . . . 0.0 109.562 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.8 -37.76 81.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.694 -0.629 . . . . 0.0 109.834 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.91 77.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.597 -0.69 . . . . 0.0 111.381 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.41 -1.316 . . . . 0.0 107.665 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.53 -40.0 79.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.923 -0.485 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.87 -45.2 95.49 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.738 -1.226 . . . . 0.0 111.856 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -39.64 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.829 -1.169 . . . . 0.0 109.751 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.547 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 22.1 t80 -59.22 -39.97 84.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.109 -0.995 . . . . 0.0 109.326 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.195 -0.941 . . . . 0.0 110.037 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -41.42 91.83 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -91.85 -35.84 13.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.842 -1.161 . . . . 0.0 112.723 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.547 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 61.5 m -60.04 -40.11 88.27 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.792 -1.192 . . . . 0.0 110.541 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.14 -14.18 72.5 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.19 -46.19 90.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.06 -1.259 . . . . 0.0 110.598 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.03 -78.04 0.38 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.092 -1.005 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.98 -30.48 0.02 OUTLIER Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.737 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -81.57 95.95 7.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.749 -1.442 . . . . 0.0 108.754 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.368 -0.833 . . . . 0.0 111.265 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -99.69 5.34 45.78 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.027 -1.046 . . . . 0.0 111.459 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -146.64 149.31 33.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.476 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 mt -117.38 137.7 52.3 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.727 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 8.4 mtmp? -102.0 155.65 18.04 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.04 -22.57 1.66 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.8 m -75.79 -50.66 14.57 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.501 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.77 -35.76 80.85 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.697 -0.627 . . . . 0.0 109.515 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.186 -0.946 . . . . 0.0 109.682 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.09 -35.62 78.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 108.928 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.93 -49.95 75.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.751 -1.218 . . . . 0.0 108.351 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -74.07 -48.47 37.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.521 -0.737 . . . . 0.0 111.863 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -67.77 -40.0 84.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.089 -1.007 . . . . 0.0 113.018 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -97.69 -35.84 10.44 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.113 -0.992 . . . . 0.0 113.177 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -80.0 -10.37 59.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.087 -1.633 . . . . 0.0 109.136 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.44 54.89 1.92 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 0.0 109.084 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -61.79 -40.01 93.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.97 . . . . 0.0 110.427 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -131.59 -19.68 2.67 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.337 -0.852 . . . . 0.0 110.139 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -64.94 -40.02 94.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.816 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' B' ' 45' ' ' GLU . 3.9 tp -131.02 166.89 20.02 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.308 -0.87 . . . . 0.0 108.811 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.45 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 86.5 tt0 -52.54 106.13 0.14 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.295 -0.878 . . . . 0.0 109.431 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.97 140.03 58.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mm -82.33 138.25 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.061 -1.024 . . . . 0.0 109.241 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -17.8 13.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.658 -0.651 . . . . 0.0 110.084 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -135.95 142.52 44.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.317 -0.864 . . . . 0.0 109.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.27 66.25 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -59.93 -38.95 83.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.544 -0.722 . . . . 0.0 109.827 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.05 -39.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.36 -31.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.807 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.07 80.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -70.19 -40.01 74.87 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.374 1.083 . . . . 0.0 108.462 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.19 -31.19 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.65 -36.86 84.21 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.26 -40.02 73.54 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 119.914 -1.742 . . . . 0.0 107.274 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.3 m -77.96 -45.04 25.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.638 -0.664 . . . . 0.0 111.408 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 23.9 mt -89.96 -14.96 32.96 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.137 . . . . 0.0 111.288 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.5 t0 -80.83 60.98 4.29 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -59.94 -39.59 86.08 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 73.0 m-20 -74.33 -11.04 60.15 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.16 30.01 72.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 8.5 p30 -106.8 3.94 27.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.223 -1.163 . . . . 0.0 109.713 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 81.01 2.03 90.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -137.32 136.64 38.16 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.6 -0.941 . . . . 0.0 108.723 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.6 136.16 43.83 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 50.3 t0 -77.82 170.11 17.14 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.582 -0.699 . . . . 0.0 109.29 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.8 t80 -51.39 -40.01 58.38 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -61.22 -50.4 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 111.086 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 81.7 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 110.475 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.04 -37.43 87.42 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.327 -0.858 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.4 mmm -59.99 -37.38 79.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.598 -0.689 . . . . 0.0 110.47 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.54 80.38 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 120.984 -1.073 . . . . 0.0 110.963 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.05 -35.63 75.56 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.275 -0.89 . . . . 0.0 109.939 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -37.13 79.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.305 0 O-C-N 121.876 -0.515 . . . . 0.0 110.34 -178.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.407 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 4.3 m -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.071 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.7 mtp -71.33 -42.39 68.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.087 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.13 -39.59 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.216 -0.927 . . . . 0.0 110.117 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -60.04 -39.28 85.38 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -52.13 -39.2 59.56 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.75 83.52 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.0 m -60.04 -36.79 78.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.94 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.78 -1.2 . . . . 0.0 109.351 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.87 -33.18 75.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 0.0 109.111 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -87.28 -30.21 21.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.557 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 108.657 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.982 0.896 . . . . 0.0 108.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.514 ' O ' ' SD ' ' X' ' 109' ' ' MET . 2.0 m-70 -60.2 -38.45 83.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.75 -29.43 62.55 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.99 -40.07 87.9 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.134 -0.978 . . . . 0.0 108.575 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.438 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.1 mt -75.13 -24.76 58.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.951 -1.093 . . . . 0.0 109.283 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.97 -24.6 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.86 -1.775 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 1.1 p90 -45.56 -47.19 14.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.069 -1.02 . . . . 0.0 110.089 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 6.3 pttt -68.28 -35.4 77.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.378 -0.827 . . . . 0.0 110.19 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' X' ' 109' ' ' MET . 63.5 p -60.65 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.835 -1.166 . . . . 0.0 109.13 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 122.044 0.926 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.51 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 2.1 m-70 -60.16 -38.6 83.67 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.212 -0.93 . . . . 0.0 108.617 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -56.74 -29.4 62.5 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.03 -39.98 87.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.039 -1.038 . . . . 0.0 108.544 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.1 mt -75.18 -24.71 57.89 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.969 -1.082 . . . . 0.0 109.256 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.02 -24.64 64.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 119.846 -1.784 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 1.1 p90 -45.58 -47.23 14.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.035 -1.04 . . . . 0.0 110.105 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.579 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 6.4 pttt -68.24 -35.86 78.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.525 ' HG1' ' N ' ' Y' ' 113' ' ' GLU . 70.1 p -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.864 -1.148 . . . . 0.0 109.235 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . 0.525 ' N ' ' HG1' ' Y' ' 112' ' ' THR . 86.4 mt-10 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.441 -0.787 . . . . 0.0 . 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.463 ' C ' ' H ' ' A' ' 2' ' ' GLU . 27.9 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.296 0.569 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.6 t 50.07 12.62 0.09 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.261 -0.899 . . . . 0.0 110.082 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 0' ' ' MET . 98.9 mt-10 -72.72 1.92 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 1' ' ' SER . 56.9 tp -43.06 -26.46 0.15 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.976 -0.453 . . . . 0.0 110.465 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.0 -39.23 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 108.5 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.04 -39.05 75.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.766 -0.584 . . . . 0.0 109.963 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.03 85.22 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 110.859 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.5 mtt -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.184 -0.948 . . . . 0.0 109.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.94 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.31 -0.869 . . . . 0.0 110.135 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.16 68.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.28 -0.888 . . . . 0.0 110.258 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -69.16 -37.74 76.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.181 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.02 -43.15 95.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.001 -1.062 . . . . 0.0 111.1 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -43.23 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.935 -1.103 . . . . 0.0 110.742 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -39.96 87.72 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.947 -1.096 . . . . 0.0 109.287 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.09 -36.41 77.35 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.529 -0.732 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.87 -39.87 86.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.914 -1.116 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.94 -26.42 18.43 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.68 -1.263 . . . . 0.0 111.992 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 t -60.52 -40.66 92.26 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 109.367 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.58 30.88 3.36 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.63 -60.77 2.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.935 -1.332 . . . . 0.0 110.004 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -107.15 -15.48 14.66 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.34 -0.28 5.13 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -81.71 67.27 7.62 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.858 -1.377 . . . . 0.0 108.508 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.871 . . . . 0.0 110.332 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -80.42 -14.13 58.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.215 -0.928 . . . . 0.0 111.539 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 39.8 pttt -142.84 162.5 35.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.884 -1.135 . . . . 0.0 109.546 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.12 115.24 15.5 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.13 -0.981 . . . . 0.0 108.851 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.9 mttm -79.79 155.67 27.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.727 -1.233 . . . . 0.0 110.444 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -49.12 -21.8 0.82 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 28' ' ' LYS . 89.6 p -76.09 -49.95 16.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.826 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.31 -30.36 68.41 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.09 -44.08 95.06 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.14 -40.05 88.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.461 -0.775 . . . . 0.0 110.488 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.36 -40.01 95.0 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.067 -1.021 . . . . 0.0 109.39 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 4.7 tt -62.23 -50.1 73.11 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.216 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -69.59 -44.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 111.447 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 8.8 m120 -67.94 -39.94 83.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.723 -1.235 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.66 -29.81 12.46 Favored 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tp10 -79.11 -9.53 59.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.057 -1.652 . . . . 0.0 108.22 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.27 59.73 1.42 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -60.03 -41.54 92.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.174 -0.954 . . . . 0.0 110.028 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -145.75 7.51 1.1 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 0.0 109.436 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -90.03 -10.55 44.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.139 -0.976 . . . . 0.0 110.185 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 tp -159.42 164.53 34.52 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.96 118.98 7.41 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.595 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.87 165.96 12.07 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.394 -0.816 . . . . 0.0 109.143 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 50.2 mm -95.94 119.9 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -12.29 22.03 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.094 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 94.1 mt-10 -140.02 147.63 40.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.299 -0.875 . . . . 0.0 110.231 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.87 64.51 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 21.9 pt-20 -59.93 -38.3 81.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.078 -1.014 . . . . 0.0 109.525 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.0 -38.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.9 t -65.49 -38.03 81.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.26 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.81 -36.58 82.69 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.73 -39.99 84.23 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.69 -34.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.0 mmm -68.84 -29.78 68.18 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.522 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -57.41 -36.16 70.96 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 119.978 -1.701 . . . . 0.0 106.476 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -78.86 -46.38 18.73 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 16.5 mt -88.23 -14.62 38.02 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.782 -1.199 . . . . 0.0 110.547 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.2 t0 -79.98 62.89 4.33 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.752 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 45.7 p-10 -82.75 -3.09 56.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.203 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.24 34.7 90.26 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.883 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 p-10 -106.29 1.08 25.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.01 -1.288 . . . . 0.0 110.397 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.569 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.36 11.75 84.8 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -140.01 128.78 23.22 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -105.8 130.45 53.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.355 -0.84 . . . . 0.0 108.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.44 166.04 22.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.439 -0.788 . . . . 0.0 110.371 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.87 -35.76 34.4 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -69.99 -37.9 75.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.095 -1.003 . . . . 0.0 109.601 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 45.9 mt-10 -70.04 -41.26 74.45 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.679 -1.263 . . . . 0.0 109.662 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -70.07 -26.27 63.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 108.944 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -37.33 79.38 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.6 73.69 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.989 -1.084 . . . . 0.0 109.969 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.98 -40.05 91.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 110.461 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -37.2 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 109.805 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -66.52 -39.95 88.91 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.93 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.53 ' O ' ' NZ ' ' X' ' 111' ' ' LYS . 84.5 mtp -62.26 -47.25 85.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 0.0 110.973 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.98 -34.26 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.12 -0.987 . . . . 0.0 109.698 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -39.38 85.6 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 m -59.0 -39.98 83.47 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.92 87.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 0.0 109.052 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m -59.35 -34.23 72.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 15.4 t-80 -60.02 -40.72 90.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.563 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.18 -45.22 93.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -71.82 -40.01 69.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.383 -0.823 . . . . 0.0 109.439 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.843 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.476 ' C ' ' H ' ' B' ' 2' ' ' GLU . 28.2 ttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.293 0.568 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.409 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.6 t 50.03 12.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.115 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' B' ' 0' ' ' MET . 97.8 mt-10 -72.31 1.58 7.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.288 -0.883 . . . . 0.0 108.777 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' B' ' 1' ' ' SER . 54.9 tp -42.98 -26.61 0.15 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 122.002 -0.436 . . . . 0.0 110.506 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.03 -39.19 75.91 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.824 -1.172 . . . . 0.0 108.472 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.0 -39.25 75.99 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.778 -0.576 . . . . 0.0 109.934 179.647 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.92 85.21 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 110.882 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.13 -39.19 82.78 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.727 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.0 -40.06 87.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 110.07 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.31 69.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.363 -0.836 . . . . 0.0 110.25 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -39.98 87.49 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.22 -37.78 76.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.98 -43.19 95.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.024 -1.048 . . . . 0.0 111.139 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -43.23 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.976 -1.078 . . . . 0.0 110.687 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.864 -1.147 . . . . 0.0 109.229 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -60.2 -36.32 77.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.546 -0.721 . . . . 0.0 111.071 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.91 -40.0 87.31 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.83 -1.169 . . . . 0.0 110.844 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -91.72 -26.11 18.76 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.699 -1.251 . . . . 0.0 112.159 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -60.63 -40.9 93.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.826 -1.171 . . . . 0.0 109.347 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.26 30.65 3.3 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.54 -60.8 2.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.911 -1.346 . . . . 0.0 110.022 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -107.37 -15.76 14.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.547 -0.721 . . . . 0.0 109.093 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.4 -1.55 4.88 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.9 m-20 -81.37 67.43 7.31 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.88 -1.365 . . . . 0.0 108.646 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -69.98 -39.96 75.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.43 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -80.41 -13.99 58.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.186 -0.946 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.5 pttt -142.98 162.36 35.66 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.896 -1.128 . . . . 0.0 109.572 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.93 115.03 15.35 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.213 -0.93 . . . . 0.0 108.973 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 30' ' ' SER . 59.6 mttm -79.74 155.64 27.86 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.773 -1.205 . . . . 0.0 110.491 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -49.0 -21.89 0.76 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.462 ' N ' ' C ' ' B' ' 28' ' ' LYS . 91.8 p -75.94 -49.94 16.35 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.914 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.35 -30.36 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.02 -44.19 94.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.491 -0.756 . . . . 0.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.5 -39.95 94.75 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.099 -1.0 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 4.6 tt -62.33 -49.94 73.6 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.834 -1.166 . . . . 0.0 109.276 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.59 -44.48 79.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.19 -0.944 . . . . 0.0 111.352 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 8.8 m120 -67.84 -39.96 83.79 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.696 -1.252 . . . . 0.0 111.47 -178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.71 -30.07 12.29 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tp10 -78.96 -9.24 59.46 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.08 -1.638 . . . . 0.0 108.287 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 mt -127.77 59.81 1.46 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.618 ' HG ' ' N ' ' B' ' 42' ' ' HIS . 80.6 p -59.92 -41.59 92.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 109.947 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.618 ' N ' ' HG ' ' B' ' 41' ' ' SER . 97.4 m-70 -145.8 7.39 1.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.01 -10.37 45.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.138 -0.976 . . . . 0.0 110.118 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tp -159.55 164.42 34.31 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.94 118.88 7.26 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.612 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.76 166.04 11.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.147 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.479 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 48.5 mm -96.1 119.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -12.4 22.06 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.096 -177.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.434 ' OE1' ' OE2' ' B' ' 51' ' ' GLU . 93.4 mt-10 -140.0 147.67 40.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.317 -0.864 . . . . 0.0 110.21 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -22.97 64.55 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' OE1' ' B' ' 49' ' ' GLU . 22.0 pt-20 -59.9 -38.32 81.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.085 -1.009 . . . . 0.0 109.512 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.0 -38.84 78.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.265 -0.897 . . . . 0.0 108.801 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 t -65.38 -38.51 82.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 121.769 -0.582 . . . . 0.0 110.119 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.35 -36.72 83.6 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.386 -0.821 . . . . 0.0 110.022 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.8 -40.03 83.95 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.73 -34.43 70.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.597 ' O ' ' N ' ' B' ' 61' ' ' ASP . 78.9 mmm -69.06 -29.73 67.92 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.334 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.02 -36.7 70.76 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.4 m -78.6 -46.5 19.18 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.373 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 15.0 mt -88.0 -14.94 37.77 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.852 -1.155 . . . . 0.0 110.578 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -79.94 62.63 4.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -58.54 -39.93 81.59 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.813 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 45.0 p-10 -82.69 -3.17 55.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.09 -1.006 . . . . 0.0 109.263 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.77 90.23 Favored Glycine 0 N--CA 1.497 2.728 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.827 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 50.2 p-10 -106.48 1.01 25.17 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.036 -1.273 . . . . 0.0 110.416 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.564 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.24 11.89 84.6 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -140.05 128.58 22.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.77 130.69 53.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.259 -0.9 . . . . 0.0 108.811 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.65 165.92 22.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.459 -0.775 . . . . 0.0 110.372 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -50.71 -36.01 34.05 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.86 -37.93 76.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.086 -1.009 . . . . 0.0 109.587 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 45.7 mt-10 -69.97 -41.33 74.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.635 -1.291 . . . . 0.0 109.732 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -70.03 -26.13 63.9 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.087 -1.008 . . . . 0.0 108.851 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.57 79.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.63 73.85 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.129 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.89 -40.0 91.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.083 -1.01 . . . . 0.0 110.575 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -37.0 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.747 -0.596 . . . . 0.0 109.847 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -66.44 -39.99 89.22 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.394 -0.923 . . . . 0.0 108.964 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.54 ' O ' ' NZ ' ' Y' ' 111' ' ' LYS . 84.8 mtp -62.51 -47.38 84.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.671 -0.643 . . . . 0.0 111.006 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.86 -34.22 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.094 -1.004 . . . . 0.0 109.642 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.49 85.75 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.803 0.811 . . . . 0.0 108.88 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -58.77 -39.98 82.6 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.236 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -59.25 -34.21 71.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.432 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 15.1 t-80 -60.04 -40.73 90.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.071 -1.018 . . . . 0.0 109.542 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.11 -44.99 94.46 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -72.08 -40.0 68.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.514 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.93 0.871 . . . . 0.0 108.792 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.55 -38.28 86.86 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.99 -33.37 71.87 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.7 -40.06 86.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.757 -1.214 . . . . 0.0 109.138 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.51 -30.35 69.15 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.153 -0.967 . . . . 0.0 109.292 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.462 ' O ' ' OG1' ' X' ' 112' ' ' THR . 15.6 mmt -58.19 -24.5 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 110.012 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.8 p90 -40.02 -49.9 2.53 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.174 -0.954 . . . . 0.0 110.829 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.556 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.19 -25.52 39.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.717 -1.24 . . . . 0.0 109.991 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' X' ' 109' ' ' MET . 73.2 p -59.72 -38.39 81.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.521 -1.362 . . . . 0.0 108.241 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.303 -1.417 0 O-C-N 121.344 -0.847 . . . . 0.0 . 179.124 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.51 HH11 ' CG ' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.903 0.858 . . . . 0.0 108.799 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -61.27 -38.45 86.8 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.99 -33.4 71.92 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -59.66 -40.05 86.47 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.769 -1.207 . . . . 0.0 109.109 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.88 -29.87 68.25 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.113 -0.992 . . . . 0.0 109.272 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.459 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 15.4 mmt -58.54 -24.52 60.85 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.856 -1.152 . . . . 0.0 109.945 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.7 p90 -39.97 -49.87 2.49 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.895 . . . . 0.0 110.836 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.16 -25.51 39.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.65 -1.281 . . . . 0.0 110.03 -179.493 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.461 ' HG1' ' N ' ' Y' ' 113' ' ' GLU . 74.6 p -59.9 -37.6 79.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.57 -1.331 . . . . 0.0 108.417 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . 0.461 ' N ' ' HG1' ' Y' ' 112' ' ' THR . 79.7 mm-40 . . . . . 0 C--N 1.304 -1.373 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.404 ' C ' ' N ' ' A' ' 2' ' ' GLU . 48.9 ttp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.265 0.555 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.77 16.8 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.315 -0.865 . . . . 0.0 110.052 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 0' ' ' MET . 21.5 pt-20 -74.65 19.35 0.14 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.1 tp -60.0 -36.13 76.54 Favored 'General case' 0 C--O 1.204 -1.317 0 O-C-N 121.584 -0.698 . . . . 0.0 109.311 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.0 -38.5 82.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.426 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -63.91 -39.98 95.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.41 -0.806 . . . . 0.0 109.685 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.02 83.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.307 -0.871 . . . . 0.0 110.789 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.42 -39.99 95.11 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.083 -1.01 . . . . 0.0 109.382 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.48 -39.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.662 -0.649 . . . . 0.0 109.293 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.684 -0.635 . . . . 0.0 111.544 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.91 -40.1 87.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.721 -1.237 . . . . 0.0 108.383 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.9 mt -68.23 -38.08 79.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.875 -0.516 . . . . 0.0 111.224 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -68.62 -40.02 80.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.613 -1.304 . . . . 0.0 111.657 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.41 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.14 -37.59 77.65 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.11 -26.94 65.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.694 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.04 -42.91 95.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.744 -1.222 . . . . 0.0 110.131 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 66.6 m-85 -91.78 -40.32 11.29 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.91 -1.119 . . . . 0.0 112.018 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -60.11 -40.12 88.6 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.116 -0.99 . . . . 0.0 111.188 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.12 -9.04 62.86 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.498 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -69.63 -43.04 73.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.944 -1.327 . . . . 0.0 110.16 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASP . 87.2 tt0 -113.79 152.89 29.97 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.624 -0.673 . . . . 0.0 109.722 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 -19.51 0.04 OUTLIER Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.15 58.46 0.7 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.8 -1.412 . . . . 0.0 109.229 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -61.0 -40.78 94.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.054 -1.029 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -99.39 0.04 41.94 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.23 -0.919 . . . . 0.0 110.061 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' ASP . 97.5 mttt -141.38 169.03 18.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.044 -1.035 . . . . 0.0 110.561 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.1 mt -135.86 137.37 41.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.652 -0.655 . . . . 0.0 110.293 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 30' ' ' SER . 31.2 mmtp -100.3 153.47 19.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -47.22 -23.38 0.53 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.788 -1.195 . . . . 0.0 108.79 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 47.6 t -74.45 -55.19 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.73 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.7 tt0 -68.63 -29.52 68.04 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.792 -1.192 . . . . 0.0 108.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.71 -40.29 94.53 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.38 -39.97 89.17 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.369 -0.832 . . . . 0.0 111.138 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 9.7 mp0 -68.37 -33.46 74.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.896 -1.128 . . . . 0.0 108.616 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.1 tt -62.75 -50.96 69.02 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.987 -1.071 . . . . 0.0 108.317 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -76.3 -47.54 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.163 -0.96 . . . . 0.0 111.833 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -65.07 -40.05 94.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.274 -0.891 . . . . 0.0 112.712 -176.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.98 -37.73 10.07 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.088 -1.008 . . . . 0.0 112.533 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 62.3 tt0 -68.03 -40.54 82.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.609 -1.307 . . . . 0.0 109.161 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.6 64.03 0.8 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.64 -0.662 . . . . 0.0 109.282 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -60.12 -40.07 88.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 110.095 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -136.38 -18.6 1.48 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.218 -0.926 . . . . 0.0 110.562 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.04 -39.99 91.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.897 -1.127 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -127.49 159.72 33.67 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.2 pt-20 -53.86 113.02 1.06 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.66 -1.216 . . . . 0.0 108.847 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' HG3' HD21 ' A' ' 37' ' ' ASN . 88.1 tt0 -66.46 150.01 49.57 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 109.512 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mt -88.04 139.95 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.103 -0.998 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -114.81 -13.01 12.04 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.542 -0.724 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -138.32 135.81 35.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.204 -0.935 . . . . 0.0 109.611 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.72 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -63.61 -22.03 66.68 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.4 -0.812 . . . . 0.0 110.571 -178.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 19.3 pt-20 -60.02 -39.14 84.83 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.709 -1.245 . . . . 0.0 109.686 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 69.0 t -59.94 -40.02 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.67 -39.93 84.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.265 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.28 -39.94 92.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.286 -0.884 . . . . 0.0 109.776 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 1.016 ' HZ2' ' NE2' ' X' ' 105' ' ' HIS . 34.1 ttmt -64.69 -39.99 94.61 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.936 0.874 . . . . 0.0 108.647 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 t -66.21 -30.75 50.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 82.4 mmm -69.98 -26.85 64.29 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.672 -0.811 . . . . 0.0 108.985 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -39.96 87.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -77.79 -41.39 37.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.775 -0.578 . . . . 0.0 111.174 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' CD2' ' O ' ' A' ' 72' ' ' GLU . 24.2 mt -88.23 -17.66 30.32 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.797 -1.189 . . . . 0.0 111.02 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.5 t0 -80.98 58.63 3.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.97 -33.18 71.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.94 -8.89 59.28 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.92 32.21 79.01 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 7.2 p30 -107.56 3.67 25.16 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.232 -1.158 . . . . 0.0 110.435 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.07 4.46 89.7 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.93 140.58 36.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.629 -0.924 . . . . 0.0 108.683 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.68 138.54 45.89 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 121.817 0.818 . . . . 0.0 109.03 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 37.8 t0 -81.55 170.18 16.18 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.371 0.605 . . . . 0.0 109.984 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 6.9 t80 -53.9 -39.92 66.19 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.25 -50.93 71.71 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.365 -0.835 . . . . 0.0 110.901 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 40.1 mt-10 -61.52 -40.18 93.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.079 -1.013 . . . . 0.0 110.897 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.8 -36.55 84.25 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.418 -0.801 . . . . 0.0 109.702 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.3 mmm -60.0 -38.61 83.14 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.29 0.567 . . . . 0.0 111.033 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.29 74.61 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.622 -1.298 . . . . 0.0 111.223 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -66.36 -29.55 69.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.112 -0.993 . . . . 0.0 110.463 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.42 -38.88 82.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.389 -0.819 . . . . 0.0 109.446 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -63.06 -40.49 97.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 mtm -70.8 -40.9 72.24 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.465 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.7 t -65.62 -37.93 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.779 -1.2 . . . . 0.0 109.932 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -59.98 -38.42 82.49 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.0 m -58.47 -39.96 81.41 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.92 84.11 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.563 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 7.7 t -59.96 -37.89 80.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.713 -0.617 . . . . 0.0 110.272 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -59.8 -40.0 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.032 -1.042 . . . . 0.0 108.84 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -66.17 -34.13 77.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 109.299 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -92.49 -23.61 19.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.339 -0.85 . . . . 0.0 111.196 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 3.2 m-85 . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.772 -1.205 . . . . 0.0 109.109 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.307 0.575 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.569 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.9 16.93 0.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -74.83 19.54 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.569 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.5 tp -60.09 -36.14 76.75 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.97 -38.91 83.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.197 -0.939 . . . . 0.0 109.379 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.63 -40.02 95.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.283 -0.885 . . . . 0.0 109.749 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.85 -40.08 83.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.15 -40.04 94.63 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.111 -0.993 . . . . 0.0 109.435 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.65 -39.89 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 95.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.659 -0.651 . . . . 0.0 111.527 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.748 -1.22 . . . . 0.0 108.39 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.406 HG21 HD11 ' B' ' 11' ' ' ILE . 86.4 mt -68.46 -38.13 78.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.821 -0.549 . . . . 0.0 111.161 -178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.39 -40.11 81.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.688 -1.257 . . . . 0.0 111.645 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.8 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.902 . . . . 0.0 109.665 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -58.75 -37.74 76.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.437 -0.789 . . . . 0.0 109.055 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -68.99 -27.13 65.42 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.292 -0.88 . . . . 0.0 110.671 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.99 -42.74 94.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.68 -1.263 . . . . 0.0 110.152 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.425 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 66.0 m-85 -91.93 -40.21 11.27 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.936 -1.102 . . . . 0.0 112.053 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.3 -40.11 89.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 111.227 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.2 -8.95 62.95 Favored Glycine 0 N--CA 1.492 2.396 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.467 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -69.78 -42.9 73.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.901 -1.352 . . . . 0.0 110.031 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 23' ' ' ASP . 84.8 tt0 -113.48 152.98 29.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.667 -0.646 . . . . 0.0 109.708 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.24 -18.9 0.04 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.5 m-20 -74.3 58.15 0.71 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.827 -1.396 . . . . 0.0 109.209 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -60.52 -40.92 93.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.085 -1.009 . . . . 0.0 110.19 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -99.4 0.01 41.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.206 -0.934 . . . . 0.0 110.201 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 97.1 mttt -141.17 168.99 18.46 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.122 -0.986 . . . . 0.0 110.678 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 mt -135.85 137.21 41.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.685 -0.634 . . . . 0.0 110.351 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' B' ' 29' ' ' LYS . 30.5 mmtp -100.21 153.53 19.2 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 50.9 pttt -47.32 -23.38 0.56 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.846 -1.159 . . . . 0.0 108.796 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.46 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 47.5 t -74.34 -55.21 6.27 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.695 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 31.8 tt0 -68.51 -29.78 68.45 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.876 -1.14 . . . . 0.0 108.076 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.87 -40.05 94.01 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.28 -40.0 88.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 111.116 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 9.9 mp0 -68.44 -33.48 74.27 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.922 -1.111 . . . . 0.0 108.608 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.458 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.0 tt -62.6 -51.24 68.09 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 118.887 -1.125 . . . . 0.0 108.258 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.4 HG23 HD12 ' B' ' 36' ' ' ILE . 88.2 mt -76.17 -47.55 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.841 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.9 OUTLIER -65.2 -40.0 93.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 0.0 112.706 -176.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -38.15 10.03 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.059 -1.025 . . . . 0.0 112.488 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 63.5 tt0 -67.68 -40.34 84.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.537 -1.352 . . . . 0.0 109.28 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.5 63.56 0.79 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.565 -0.709 . . . . 0.0 109.338 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -59.99 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 110.207 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.4 -18.82 1.46 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.185 -0.947 . . . . 0.0 110.457 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.929 -1.107 . . . . 0.0 109.945 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.57 159.78 33.57 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 11.1 pt-20 -53.83 112.97 1.04 Allowed 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.807 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.432 ' OE2' ' ND2' ' B' ' 37' ' ' ASN . 87.9 tt0 -66.45 149.99 49.59 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.397 -0.815 . . . . 0.0 109.516 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.02 140.02 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.182 -0.948 . . . . 0.0 109.983 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -114.91 -12.95 11.98 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.482 -0.761 . . . . 0.0 109.385 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -138.43 135.66 35.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.717 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -63.25 -22.38 66.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.366 -0.834 . . . . 0.0 110.61 -178.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.95 -39.07 84.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.729 -1.232 . . . . 0.0 109.621 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.0 -40.03 81.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.57 -40.08 85.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.77 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 1.053 ' HZ2' ' NE2' ' Y' ' 105' ' ' HIS . 34.1 ttmt -64.51 -40.04 94.9 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.5 t -66.12 -30.68 50.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.4 mmm -69.95 -27.16 64.52 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.042 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.82 -39.98 86.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -77.8 -41.31 37.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.727 -0.608 . . . . 0.0 111.208 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' B' ' 72' ' ' GLU . 24.2 mt -88.21 -17.88 29.89 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.789 -1.195 . . . . 0.0 110.992 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -81.02 58.9 3.61 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -60.06 -33.51 72.15 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 68.4 m-20 -78.68 -8.88 59.12 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.84 32.02 77.96 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 7.2 p30 -107.35 3.65 25.56 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.279 -1.13 . . . . 0.0 110.415 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.475 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.06 4.58 89.72 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.97 140.61 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.639 -0.918 . . . . 0.0 108.686 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 138.37 46.22 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.357 -0.84 . . . . 0.0 109.019 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.0 t0 -81.27 170.43 16.07 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.406 0.622 . . . . 0.0 109.938 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.5 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 6.8 t80 -54.25 -40.01 67.34 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.14 -50.87 72.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 40.1 mt-10 -61.6 -40.09 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.031 -1.043 . . . . 0.0 110.823 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.74 -36.73 84.83 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.415 -0.803 . . . . 0.0 109.693 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.04 -38.55 83.06 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.3 0.571 . . . . 0.0 111.038 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.36 74.86 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.677 -1.265 . . . . 0.0 111.175 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -66.43 -29.47 69.62 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.083 -1.011 . . . . 0.0 110.429 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.33 -39.03 83.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -63.37 -40.15 96.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 0.0 110.336 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 5.9 mtm -70.8 -40.88 72.27 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.13 -0.982 . . . . 0.0 111.451 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.468 ' HA ' ' HZ2' ' Y' ' 111' ' ' LYS . 65.7 t -65.59 -37.94 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.792 -1.192 . . . . 0.0 109.829 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -59.95 -38.61 82.94 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 m -58.29 -40.02 80.84 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.34 85.6 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 8.4 t -59.87 -37.64 79.92 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.767 -0.583 . . . . 0.0 110.204 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.87 -40.01 87.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.928 -1.108 . . . . 0.0 108.789 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.24 -34.0 77.03 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.455 -0.778 . . . . 0.0 109.257 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -92.58 -23.5 19.02 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.387 -0.821 . . . . 0.0 111.326 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 3.2 m-85 . . . . . 0 N--CA 1.503 2.21 0 O-C-N 120.769 -1.207 . . . . 0.0 109.033 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.421 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.7 0.286 . . . . 0.0 110.617 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 1.016 ' NE2' ' HZ2' ' A' ' 55' ' ' LYS . 5.3 p-80 -60.89 -40.08 91.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.625 -1.297 . . . . 0.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.662 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.7 ttpt -60.88 -37.59 82.71 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.601 0.715 . . . . 0.0 109.553 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.31 -39.96 76.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.119 -0.988 . . . . 0.0 109.265 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.662 ' CD1' ' HZ1' ' X' ' 111' ' ' LYS . 10.2 tp -71.73 -26.41 62.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.268 -0.895 . . . . 0.0 109.612 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.453 ' O ' ' OG1' ' X' ' 112' ' ' THR . 17.3 mmt -57.45 -24.61 56.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.928 -1.107 . . . . 0.0 109.595 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -40.0 -49.56 2.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.662 ' HZ1' ' CD1' ' X' ' 108' ' ' LEU . 9.4 ptpt -73.35 -32.71 64.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' X' ' 109' ' ' MET . 79.6 p -59.98 -37.91 81.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.471 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.571 -0.706 . . . . 0.0 . 178.501 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.434 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.675 0.274 . . . . 0.0 110.738 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 1.053 ' NE2' ' HZ2' ' B' ' 55' ' ' LYS . 5.5 p-80 -60.85 -40.1 91.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.736 -1.228 . . . . 0.0 109.247 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.659 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.5 ttpt -60.7 -37.43 81.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.569 -0.707 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.59 -40.04 78.14 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.192 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.601 ' CD1' ' HZ3' ' Y' ' 111' ' ' LYS . 9.4 tp -71.52 -26.58 62.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.317 -0.864 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.449 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 17.4 mmt -57.37 -24.57 56.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.174 . . . . 0.0 109.638 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.585 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.6 p90 -40.08 -49.5 2.57 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.384 -0.822 . . . . 0.0 110.103 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.601 ' HZ3' ' CD1' ' Y' ' 108' ' ' LEU . 9.6 ptpt -73.2 -33.16 65.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 77.0 p -60.04 -37.08 78.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.976 -1.077 . . . . 0.0 108.587 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.527 -0.733 . . . . 0.0 . 178.327 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.431 ' O ' ' OG ' ' A' ' 1' ' ' SER . 67.5 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 0' ' ' MET . 5.2 p 61.79 25.65 15.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.242 -0.911 . . . . 0.0 109.508 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -76.29 -9.64 58.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.48 -0.763 . . . . 0.0 109.55 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' GLU . 22.8 tp -42.35 -24.15 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.476 -0.765 . . . . 0.0 110.378 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' GLU . 14.0 tm-20 -69.16 -39.86 78.54 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.001 -1.062 . . . . 0.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -73.01 -33.1 65.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.854 -1.154 . . . . 0.0 109.506 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -41.51 76.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 110.861 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.34 -40.02 95.06 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 109.777 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.61 -36.92 78.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.646 -0.659 . . . . 0.0 109.63 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.31 88.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.588 -0.695 . . . . 0.0 111.334 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.99 -39.81 87.02 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.327 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.87 -39.94 82.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -60.48 -40.04 89.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.742 -1.224 . . . . 0.0 111.236 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -32.57 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.149 -0.969 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' A' ' 18' ' ' SER . 84.9 t80 -57.42 -46.39 83.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.131 -0.981 . . . . 0.0 109.193 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -76.73 -22.07 54.37 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.6 -41.92 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.13 -0.981 . . . . 0.0 111.011 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -119.8 -25.05 5.97 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 120.985 -1.072 . . . . 0.0 111.319 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 78.4 p -63.29 -39.97 96.06 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.745 -1.222 . . . . 0.0 109.916 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -72.68 -1.22 53.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.85 -45.98 90.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.122 -1.222 . . . . 0.0 109.67 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -115.09 171.93 7.37 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-O 121.61 0.719 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -52.98 -30.36 37.3 Favored Glycine 0 N--CA 1.493 2.47 0 O-C-N 121.504 -0.747 . . . . 0.0 111.356 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.9 m-20 -68.72 46.97 0.06 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.594 -1.533 . . . . 0.0 109.658 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HZ3' ' CB ' ' A' ' 24' ' ' LYS . 7.5 ttpm? -66.68 -38.78 87.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.923 -1.111 . . . . 0.0 109.534 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -77.82 -15.46 59.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.463 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' O ' ' O ' ' A' ' 23' ' ' ASP . 52.6 pttt -140.8 154.19 46.13 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.797 -1.189 . . . . 0.0 109.304 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.6 110.03 22.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.093 -1.005 . . . . 0.0 109.997 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.8 tttp -81.75 152.41 27.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.767 -1.208 . . . . 0.0 108.245 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.45 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.088 -1.008 . . . . 0.0 108.735 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LYS . 91.0 p -73.96 -47.84 34.65 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.647 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.88 -34.43 73.55 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.93 -40.65 89.64 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.53 87.01 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 109.542 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.08 -39.82 93.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -50.01 75.39 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -74.49 -46.98 41.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 121.241 -0.912 . . . . 0.0 113.459 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -78.53 -43.21 27.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.702 -1.249 . . . . 0.0 113.026 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 38' ' ' ASN . 3.2 m120 -95.98 -32.94 12.35 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -86.12 -11.01 53.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.281 -1.512 . . . . 0.0 110.648 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -113.33 53.9 0.75 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.254 -0.904 . . . . 0.0 109.147 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 43' ' ' PHE . 9.4 p -57.94 100.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.909 . . . . 0.0 109.531 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 55.5 -2.65 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.672 -0.642 . . . . 0.0 110.692 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.0 t80 -69.9 -38.52 76.33 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.881 -1.137 . . . . 0.0 107.975 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -129.76 -144.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.0 tt0 -93.96 106.65 18.61 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.124 -0.985 . . . . 0.0 108.725 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -68.41 136.8 53.86 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.04 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.4 mt -92.9 135.53 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.672 ' NZ ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -109.58 -23.21 11.59 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 110.73 -177.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.3 tp10 -120.81 136.95 54.77 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -60.65 -25.84 66.62 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.652 -0.655 . . . . 0.0 110.724 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.6 pt-20 -59.95 -37.08 78.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.941 -1.099 . . . . 0.0 110.053 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.13 -39.94 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.906 -1.121 . . . . 0.0 108.075 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -65.57 -33.87 66.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 121.863 -0.523 . . . . 0.0 110.071 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.86 -38.32 86.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.973 0.892 . . . . 0.0 109.667 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.02 -39.6 75.69 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.73 -30.64 50.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.68 -39.98 71.71 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.491 -1.38 . . . . 0.0 107.74 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -79.36 -42.92 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.563 -0.711 . . . . 0.0 111.619 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 10.8 mt -88.41 -16.64 32.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.823 -1.173 . . . . 0.0 110.908 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.1 t0 -80.68 58.6 3.33 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -60.03 -38.43 82.7 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.4 m-20 -73.49 -11.1 60.34 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.19 28.81 67.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.5 p-10 -107.11 4.93 27.41 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -1.117 . . . . 0.0 109.97 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.68 2.57 85.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.2 mt-10 -135.99 132.29 36.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.776 -0.837 . . . . 0.0 108.888 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.34 44.83 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.48 164.93 22.03 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.32 -0.863 . . . . 0.0 109.329 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 3.2 t80 -49.18 -39.99 31.41 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -61.87 -46.84 87.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.45 -0.781 . . . . 0.0 110.464 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 36.2 mt-10 -59.97 -40.17 88.16 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.807 -178.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -67.89 -36.45 80.26 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.088 -1.008 . . . . 0.0 109.077 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.434 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 82.1 mmm -60.08 -39.65 86.82 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.675 -0.641 . . . . 0.0 110.701 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.91 -32.36 72.78 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.782 -1.199 . . . . 0.0 110.936 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 33.5 t80 -61.43 -38.26 86.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.895 -1.128 . . . . 0.0 109.717 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.7 -38.03 77.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 71.7 p -62.01 -40.01 94.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.184 -0.948 . . . . 0.0 109.369 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.415 ' HE3' ' HZ2' ' X' ' 111' ' ' LYS . 34.1 mtp -70.12 -46.56 64.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.571 -0.706 . . . . 0.0 111.71 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.43 -38.0 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.267 -0.895 . . . . 0.0 110.11 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.2 m -60.05 -39.97 87.83 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.42 -39.4 60.91 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.76 86.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.9 m -59.75 -33.15 71.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.516 -0.74 . . . . 0.0 109.665 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.99 -40.08 87.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.953 -1.092 . . . . 0.0 108.83 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.6 -37.96 83.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.37 -0.831 . . . . 0.0 109.712 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -93.81 -21.44 19.28 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.212 -0.93 . . . . 0.0 110.787 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' CYS . 36.6 t80 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.866 -1.146 . . . . 0.0 110.4 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.405 ' O ' ' OG ' ' B' ' 1' ' ' SER . 68.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' B' ' 0' ' ' MET . 5.8 p 61.83 25.63 15.44 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 109.593 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -76.35 -9.32 58.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.488 -0.758 . . . . 0.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 tp -42.47 -24.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 2' ' ' GLU . 14.1 tm-20 -69.07 -39.95 78.79 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -73.01 -33.36 65.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.93 -1.106 . . . . 0.0 109.496 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -41.56 76.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.412 -0.805 . . . . 0.0 110.915 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.4 mtt -64.23 -40.02 95.18 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.007 -1.058 . . . . 0.0 109.813 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.7 -36.75 78.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 121.597 -0.69 . . . . 0.0 109.618 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.44 88.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 111.329 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.81 -40.12 87.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.766 -1.209 . . . . 0.0 108.443 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.74 -39.87 82.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -60.55 -40.19 90.67 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.664 -1.273 . . . . 0.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.93 -32.51 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.159 -0.963 . . . . 0.0 109.445 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.45 ' O ' ' OG ' ' B' ' 18' ' ' SER . 85.2 t80 -57.38 -46.28 83.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.261 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -76.71 -22.35 54.02 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.28 -0.887 . . . . 0.0 110.749 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.26 -42.32 73.38 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.055 -1.028 . . . . 0.0 110.936 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -119.65 -24.89 6.09 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.986 -1.071 . . . . 0.0 111.448 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 75.0 p -63.52 -40.0 95.89 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.769 -1.207 . . . . 0.0 109.917 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.62 -1.13 52.28 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.025 -1.279 . . . . 0.0 109.594 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.24 172.18 7.24 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.522 -0.736 . . . . 0.0 110.036 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -52.89 -30.9 38.01 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.0 m-20 -68.62 47.12 0.06 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.623 -1.516 . . . . 0.0 109.695 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.535 ' CB ' ' HZ2' ' B' ' 24' ' ' LYS . 7.4 ttpm? -66.66 -38.82 87.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.94 -1.1 . . . . 0.0 109.554 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -78.01 -15.12 59.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.409 -0.807 . . . . 0.0 111.397 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' B' ' 23' ' ' ASP . 53.1 pttt -140.98 154.18 45.93 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.743 -1.223 . . . . 0.0 109.421 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 mt -106.49 110.11 22.23 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.139 -0.976 . . . . 0.0 110.004 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.6 tttp -81.94 152.33 26.81 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.713 -1.242 . . . . 0.0 108.228 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.59 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 0.0 108.712 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 28' ' ' LYS . 96.3 p -73.68 -48.23 33.76 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.639 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.51 -34.32 74.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.023 -1.048 . . . . 0.0 108.249 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.08 -40.43 89.49 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.12 -39.8 87.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.361 -0.837 . . . . 0.0 109.601 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -39.78 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -50.0 75.42 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.66 -47.02 40.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 O-C-N 121.248 -0.907 . . . . 0.0 113.355 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -78.37 -43.34 27.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.714 -1.241 . . . . 0.0 113.08 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.411 HD21 ' N ' ' B' ' 38' ' ' ASN . 3.2 m120 -96.04 -33.03 12.27 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.157 -0.964 . . . . 0.0 113.49 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.9 -10.93 54.47 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.243 -1.536 . . . . 0.0 110.725 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.1 mt -113.33 53.92 0.75 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.209 -0.932 . . . . 0.0 109.08 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.568 ' C ' ' H ' ' B' ' 43' ' ' PHE . 8.2 p -57.83 100.7 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 0.0 109.547 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.7 m80 55.43 -2.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.702 -0.624 . . . . 0.0 110.671 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.568 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.1 t80 -69.96 -38.51 76.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 108.09 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.499 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.6 tp -129.79 -144.74 0.27 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.499 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -94.01 106.43 18.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 108.873 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.4 136.73 53.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.148 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 59.8 mt -92.69 135.5 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.733 ' HZ1' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -109.47 -23.41 11.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.639 -0.663 . . . . 0.0 110.751 -177.36 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -120.78 137.24 54.62 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.837 . . . . 0.0 109.709 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -60.86 -25.88 66.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.653 -0.655 . . . . 0.0 110.655 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -59.91 -37.0 78.17 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.996 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.16 -39.84 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.925 -1.109 . . . . 0.0 108.128 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.83 -33.86 66.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 O-C-N 121.875 -0.516 . . . . 0.0 110.076 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -66.77 -38.47 86.63 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.096 0.95 . . . . 0.0 109.663 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -69.91 -39.62 76.08 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.231 1.015 . . . . 0.0 108.348 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.67 -30.72 50.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.577 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -63.42 -36.92 85.33 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.66 -40.03 71.72 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.477 -1.389 . . . . 0.0 107.729 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -79.45 -42.73 24.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 0.0 111.598 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.425 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 10.4 mt -88.55 -16.57 32.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.825 -1.172 . . . . 0.0 110.863 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.5 t0 -80.74 58.61 3.37 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.0 -38.43 82.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 1.4 m-20 -73.55 -11.02 60.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.24 28.87 67.52 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 41.9 p-10 -107.17 5.07 27.43 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.244 -1.151 . . . . 0.0 109.997 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.458 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.64 2.4 85.2 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.6 mt-10 -136.19 132.47 35.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.796 -0.826 . . . . 0.0 108.87 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.26 44.84 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.47 164.88 22.13 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.341 -0.85 . . . . 0.0 109.301 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.437 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 3.3 t80 -49.13 -39.98 30.73 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.87 -46.76 88.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 110.423 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 36.2 mt-10 -60.08 -40.12 88.43 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 110.648 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.14 -36.16 79.26 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.076 -1.015 . . . . 0.0 109.011 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.437 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 83.5 mmm -59.99 -39.61 86.32 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.363 0.602 . . . . 0.0 110.715 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.06 -32.39 72.7 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.696 -1.253 . . . . 0.0 110.889 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.462 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 34.6 t80 -61.48 -38.06 85.91 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.865 -1.147 . . . . 0.0 109.74 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.75 -38.08 77.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.834 -0.541 . . . . 0.0 110.072 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.473 ' HG ' ' N ' ' B' ' 79' ' ' MET . 74.1 p -61.91 -40.0 93.96 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.235 -0.915 . . . . 0.0 109.441 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.473 ' N ' ' HG ' ' B' ' 78' ' ' SER . 33.9 mtp -70.07 -46.54 64.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.544 -0.723 . . . . 0.0 111.793 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.61 -37.82 79.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -60.06 -39.96 87.83 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.47 ' H ' ' HG1' ' B' ' 82' ' ' THR . 2.4 m -52.55 -39.27 61.27 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 88' ' ' PHE . 34.9 m -59.75 -33.1 71.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -59.95 -40.17 88.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.908 -1.12 . . . . 0.0 108.818 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.64 -37.75 82.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.434 -0.791 . . . . 0.0 109.75 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -94.04 -21.48 19.13 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.252 -0.905 . . . . 0.0 110.721 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 36.9 t80 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 120.907 -1.121 . . . . 0.0 110.368 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.672 HH11 ' NZ ' ' A' ' 48' ' ' LYS . 98.5 mtt180 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 121.109 0.481 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.2 p-80 -58.65 -36.23 73.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.602 -1.311 . . . . 0.0 108.794 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 51.9 tptt -59.96 -27.94 67.24 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.85 -42.41 93.6 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.951 -1.093 . . . . 0.0 108.661 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' X' ' 110' ' ' PHE . 4.1 tp -69.11 -40.0 78.6 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -42.39 -24.43 0.05 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.807 -1.183 . . . . 0.0 110.198 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -44.01 -49.06 8.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.226 -0.921 . . . . 0.0 109.498 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -69.42 -34.58 74.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.646 -0.659 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 90.2 m -60.02 -39.92 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.451 -0.781 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.733 HH11 ' HZ1' ' B' ' 48' ' ' LYS . 98.1 mtt180 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.161 0.505 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.61 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.0 p-80 -58.52 -36.36 73.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.661 -1.274 . . . . 0.0 108.795 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.0 tptt -59.99 -28.04 67.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.96 -41.98 93.1 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.938 -1.101 . . . . 0.0 108.646 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' Y' ' 110' ' ' PHE . 4.1 tp -69.35 -39.88 77.87 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -42.44 -24.48 0.06 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.842 -1.162 . . . . 0.0 110.183 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -44.04 -49.0 8.89 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.18 -0.95 . . . . 0.0 109.471 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.635 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.6 OUTLIER -69.63 -34.42 74.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 109.32 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.0 -39.84 87.15 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.523 -0.736 . . . . 0.0 . 179.226 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.142 0.496 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 3' ' ' LEU . 3.6 m 58.88 13.97 3.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.305 -0.872 . . . . 0.0 109.69 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -75.63 22.63 0.13 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 1' ' ' SER . 44.8 tp -70.98 -32.11 68.86 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 110.84 -178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -63.8 -39.47 94.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.815 -1.178 . . . . 0.0 111.026 -178.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 5.9 ptpt -72.11 -36.21 69.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.789 -1.194 . . . . 0.0 109.489 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.09 87.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.41 -0.806 . . . . 0.0 110.797 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mtt -62.94 -40.12 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.76 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.19 86.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.892 -0.505 . . . . 0.0 111.812 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -69.41 -39.95 79.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.84 -0.537 . . . . 0.0 111.255 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.4 t0 -59.95 -46.3 89.85 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.714 -1.241 . . . . 0.0 111.787 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -39.89 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.008 -1.058 . . . . 0.0 109.698 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.98 -38.3 75.81 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -70.02 -23.93 63.2 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -59.99 -43.44 95.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.623 -1.298 . . . . 0.0 110.154 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' OH ' ' OE1' ' A' ' 39' ' ' GLU . 60.6 m-85 -93.88 -36.68 12.1 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 120.764 -1.21 . . . . 0.0 111.886 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 t -59.99 -47.08 87.28 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.952 -1.093 . . . . 0.0 110.054 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.45 -5.29 89.91 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.06 -48.89 79.85 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.892 -1.358 . . . . 0.0 109.055 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.86 -73.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.33 -7.45 0.03 OUTLIER Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 9.9 m-20 -83.63 72.3 10.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -1.221 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -69.91 -40.03 75.82 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.219 -0.926 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.15 -20.04 56.06 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.257 -0.902 . . . . 0.0 111.421 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -143.63 158.08 43.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.864 -1.147 . . . . 0.0 109.625 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.17 133.17 55.56 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' CE ' ' HZ2' ' A' ' 26' ' ' LYS . 94.5 mttt -95.96 153.68 17.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -49.77 -22.61 1.47 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.3 t -74.49 -52.05 13.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.18 -36.15 82.69 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.99 -42.74 94.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.805 -0.56 . . . . 0.0 110.059 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.38 -40.05 89.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.089 -1.007 . . . . 0.0 110.215 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -66.72 -37.32 84.45 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.109 -0.995 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.66 -50.0 72.91 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.838 -1.164 . . . . 0.0 109.308 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.02 -45.57 48.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.582 -0.699 . . . . 0.0 111.661 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.95 -39.04 79.74 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.968 -1.083 . . . . 0.0 111.875 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.17 -35.11 10.49 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 113.311 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 3.7 tp10 -85.6 -11.99 52.61 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.186 -1.571 . . . . 0.0 110.448 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.43 47.73 2.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.211 -0.93 . . . . 0.0 108.673 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -65.28 -40.2 93.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 110.503 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.28 -31.29 6.02 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.288 -0.882 . . . . 0.0 110.072 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.61 -38.99 89.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.6 159.99 34.66 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -55.27 113.28 1.33 Allowed 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.401 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 149.21 45.36 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.959 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.7 mm -88.9 120.16 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HA ' ' HZ3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -98.14 -7.08 30.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.503 -0.748 . . . . 0.0 108.992 -177.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -139.91 138.71 35.86 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.893 . . . . 0.0 110.167 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -66.12 -22.35 66.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.7 pt-20 -60.05 -39.54 86.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.348 -0.845 . . . . 0.0 109.814 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.408 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 72.3 t -60.02 -39.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.231 -0.918 . . . . 0.0 108.624 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.18 -40.01 87.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.066 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.74 -39.95 93.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.364 -0.835 . . . . 0.0 109.83 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.23 -39.96 89.92 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.32 -32.59 57.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.079 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.43 -37.52 70.32 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -79.17 -45.37 20.07 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.165 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.36 -14.8 37.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 0.0 110.729 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.87 61.87 4.66 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.77 -39.54 85.19 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.719 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 55.6 p-10 -81.08 -7.01 59.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.139 -0.976 . . . . 0.0 109.407 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 35.66 90.72 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.002 -1.094 . . . . 0.0 110.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.4 p-10 -105.91 1.0 26.35 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.002 -1.293 . . . . 0.0 109.751 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.01 5.09 89.72 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.577 -1.809 . . . . 0.0 108.577 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.6 mt-10 -136.73 136.07 38.66 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.1 126.3 44.82 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.896 -1.128 . . . . 0.0 108.518 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.0 159.93 32.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.562 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -47.49 -39.98 17.32 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 109.053 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.93 -38.99 87.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.994 -1.066 . . . . 0.0 109.795 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.17 -40.02 90.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.937 -1.102 . . . . 0.0 110.17 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.708 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.97 -37.48 79.73 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.247 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.14 76.04 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.323 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.03 -40.17 88.42 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.994 -1.066 . . . . 0.0 110.416 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -37.65 73.16 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.762 -0.586 . . . . 0.0 110.135 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.462 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 9.0 m -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.491 -0.883 . . . . 0.0 108.996 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.433 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 89.6 mtp -61.76 -50.03 74.03 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.612 0.72 . . . . 0.0 112.046 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.07 -33.65 59.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 O-C-N 120.628 -1.295 . . . . 0.0 110.128 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -60.45 -39.99 89.52 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.266 -0.896 . . . . 0.0 109.109 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 m -54.3 -39.04 66.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.44 85.88 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.71 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 m -56.41 -33.9 66.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -60.04 -38.71 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.99 -37.81 80.76 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -82.97 -39.65 21.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.894 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.415 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.538 ' C ' ' H ' ' B' ' 3' ' ' LEU . 3.7 m 59.25 13.64 3.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.268 -0.895 . . . . 0.0 109.667 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.5 22.62 0.13 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' B' ' 1' ' ' SER . 45.0 tp -70.98 -32.31 69.11 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.057 -1.027 . . . . 0.0 110.844 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -63.59 -39.73 95.14 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.864 -1.148 . . . . 0.0 110.986 -178.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 6.0 ptpt -71.91 -36.26 69.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.801 -1.187 . . . . 0.0 109.544 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.11 87.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.364 -0.835 . . . . 0.0 110.845 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.1 mtt -62.8 -40.18 96.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.984 -1.073 . . . . 0.0 109.175 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -39.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.16 86.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.898 -0.501 . . . . 0.0 111.795 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -40.02 87.56 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -40.07 79.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 121.939 -0.476 . . . . 0.0 111.132 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 12' ' ' ASP . 60.8 t0 -59.91 -46.45 89.33 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.755 -1.215 . . . . 0.0 111.666 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.67 -39.9 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 120.936 -1.102 . . . . 0.0 109.785 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.99 -38.31 75.86 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.012 -1.055 . . . . 0.0 109.117 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -70.05 -23.78 63.15 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 110.443 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -60.03 -43.43 95.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.587 -1.321 . . . . 0.0 110.191 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.9 -36.84 12.01 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.806 -1.184 . . . . 0.0 111.883 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 t -59.99 -46.59 88.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.917 -1.114 . . . . 0.0 110.114 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 -5.32 90.17 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -48.96 79.53 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.872 -1.369 . . . . 0.0 109.028 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -88.71 -73.95 0.48 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.72 -7.91 0.03 OUTLIER Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.9 m-20 -83.13 72.07 10.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.147 -1.208 . . . . 0.0 109.736 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -69.9 -39.81 76.0 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.202 -0.936 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -77.43 -20.24 54.82 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.21 -0.931 . . . . 0.0 111.32 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.7 pttp -143.31 158.2 43.83 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.84 -1.162 . . . . 0.0 109.731 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.35 133.03 55.52 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 30' ' ' SER . 95.0 mttt -95.75 153.88 17.51 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.772 -1.205 . . . . 0.0 110.076 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -49.96 -22.73 1.66 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.435 ' N ' ' C ' ' B' ' 28' ' ' LYS . 41.0 t -74.27 -52.38 12.49 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.89 -36.38 83.12 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.01 -42.46 94.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.792 -0.568 . . . . 0.0 110.045 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.56 -39.97 89.89 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.027 . . . . 0.0 110.125 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.67 -37.44 84.77 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.171 -0.956 . . . . 0.0 109.766 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.69 -50.04 72.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.894 -1.129 . . . . 0.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.99 -45.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.478 -0.764 . . . . 0.0 111.475 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -69.09 -38.99 79.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 111.994 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -98.07 -35.56 10.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.237 -0.914 . . . . 0.0 113.287 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 3.7 tp10 -85.4 -11.57 54.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.265 -1.522 . . . . 0.0 110.418 -177.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -137.92 47.5 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.189 -0.945 . . . . 0.0 108.641 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.434 ' HG ' ' N ' ' B' ' 42' ' ' HIS . 83.2 p -65.43 -40.12 92.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 110.453 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.434 ' N ' ' HG ' ' B' ' 41' ' ' SER . 56.7 p-80 -115.21 -31.31 6.04 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.218 -0.926 . . . . 0.0 110.156 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.62 -39.16 90.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.0 109.705 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.31 160.02 34.33 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -55.32 113.26 1.33 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.17 149.06 46.27 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.508 0.671 . . . . 0.0 109.968 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mm -88.79 120.14 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.423 ' HZ2' ' HA ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -98.14 -6.85 30.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.462 -0.774 . . . . 0.0 109.064 -178.03 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.0 138.29 35.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.286 -0.884 . . . . 0.0 110.186 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.6 -22.67 66.69 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.7 pt-20 -59.99 -39.51 85.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.259 -0.901 . . . . 0.0 109.887 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 65.1 t -60.0 -39.96 81.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.17 -0.956 . . . . 0.0 108.646 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.06 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.011 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.77 -40.07 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.881 . . . . 0.0 109.791 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -66.12 -40.01 90.36 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.34 -32.52 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.582 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.8 mmm -69.94 -29.89 67.15 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.109 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.57 -37.04 70.02 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.7 m -79.62 -45.48 19.03 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.209 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.19 -14.64 38.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.775 -1.203 . . . . 0.0 110.722 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.6 t0 -80.95 61.89 4.73 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.74 -39.55 85.13 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.777 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -81.16 -7.01 59.48 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.346 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.19 35.58 90.62 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.87 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.4 p-10 -105.79 1.2 26.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.285 . . . . 0.0 109.777 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.09 4.67 89.75 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -136.38 136.15 39.37 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.26 126.28 45.05 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.858 -1.151 . . . . 0.0 108.558 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 160.0 32.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -47.61 -39.94 18.18 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.407 -0.808 . . . . 0.0 109.019 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.81 -39.22 87.65 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 109.832 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.95 -40.06 91.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.187 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.49 -31.4 70.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.116 -0.99 . . . . 0.0 109.799 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -59.94 -37.57 79.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 109.234 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.17 76.11 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.368 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.06 -40.08 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.976 -1.078 . . . . 0.0 110.495 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 O-C-N 121.733 -0.604 . . . . 0.0 110.071 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.462 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 8.2 m -67.45 -39.94 85.39 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.284 -0.885 . . . . 0.0 108.983 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' CD ' ' Y' ' 111' ' ' LYS . 89.6 mtp -61.83 -50.01 74.0 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.463 0.649 . . . . 0.0 112.074 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.12 -33.41 58.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 120.707 -1.246 . . . . 0.0 110.115 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.94 -40.01 91.67 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.293 -0.879 . . . . 0.0 109.191 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -54.3 -38.69 66.2 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.93 87.44 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.698 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.23 -33.89 65.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.0 -38.59 83.06 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.015 -1.053 . . . . 0.0 108.182 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.06 -37.71 80.66 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -83.0 -39.87 20.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.359 -0.838 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.533 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.59 ' NE2' ' SD ' ' X' ' 109' ' ' MET . 65.6 t60 -57.59 -38.64 75.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.982 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 0.0 109.383 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -71.07 -31.09 67.4 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.695 0.76 . . . . 0.0 109.771 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.59 ' SD ' ' NE2' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.87 -24.7 66.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.047 -1.033 . . . . 0.0 111.539 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.0 p90 -41.42 -48.43 3.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.991 -1.068 . . . . 0.0 110.941 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.43 -25.55 38.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.868 -1.145 . . . . 0.0 109.837 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 91.9 m -59.97 -39.97 87.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.651 -0.656 . . . . 0.0 . 179.669 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.543 HH11 ' CG ' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.588 ' NE2' ' SD ' ' Y' ' 109' ' ' MET . 67.5 t60 -57.57 -38.83 75.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.239 -0.913 . . . . 0.0 108.995 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -59.91 -31.52 69.9 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.02 -40.26 88.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.041 -1.037 . . . . 0.0 109.399 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.85 -31.28 67.94 Favored 'General case' 0 N--CA 1.506 2.336 0 CA-C-O 121.715 0.769 . . . . 0.0 109.799 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.588 ' SD ' ' NE2' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.58 -24.82 65.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.03 -1.044 . . . . 0.0 111.549 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -41.43 -48.35 3.78 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.0 -1.063 . . . . 0.0 110.965 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.47 -25.54 38.81 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.972 -1.08 . . . . 0.0 109.752 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.653 -0.654 . . . . 0.0 . 179.689 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.401 ' H3 ' ' HG3' ' A' ' 2' ' ' GLU . 65.7 ttp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.346 0.593 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 3' ' ' LEU . 23.5 p 50.02 19.59 0.49 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.322 -0.862 . . . . 0.0 109.784 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.401 ' HG3' ' H3 ' ' A' ' 0' ' ' MET . 98.8 mt-10 -76.17 17.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.0 108.861 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.7 tp -59.73 -30.87 69.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CB ' ' CZ ' ' B' ' 43' ' ' PHE . 13.0 pt-20 -63.35 -39.17 93.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.162 -0.961 . . . . 0.0 109.413 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -64.25 -40.01 95.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.576 -0.702 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.06 -40.0 75.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 110.644 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.1 mtt -61.08 -40.05 92.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.138 -0.976 . . . . 0.0 109.384 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.83 -38.12 79.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.05 96.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.63 -0.669 . . . . 0.0 111.64 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.796 -1.19 . . . . 0.0 108.305 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.21 -40.09 84.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.87 -0.518 . . . . 0.0 111.094 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.29 -45.52 92.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.686 -1.259 . . . . 0.0 111.474 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -37.97 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.332 -0.855 . . . . 0.0 110.126 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 18' ' ' SER . 46.2 t80 -51.49 -41.56 61.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.737 -0.602 . . . . 0.0 109.641 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -78.82 -22.52 46.08 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.148 -0.97 . . . . 0.0 111.674 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.49 -40.82 75.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.919 -1.113 . . . . 0.0 111.514 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -120.83 -23.06 6.04 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.186 -0.946 . . . . 0.0 111.265 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 88.1 p -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.444 -1.41 . . . . 0.0 108.677 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -0.62 25.92 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.3 ttt-85 -61.12 -42.54 98.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -1.14 . . . . 0.0 109.468 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -113.96 165.08 12.97 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.626 0.727 . . . . 0.0 110.142 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.04 -28.99 13.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.8 m-20 -70.1 53.4 0.13 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.906 -1.349 . . . . 0.0 108.53 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' GLY . 12.7 tmtt? -62.25 -40.06 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.0 110.611 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.659 ' HD1' ' H ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.92 0.01 57.49 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.893 -1.129 . . . . 0.0 110.816 -178.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.637 ' HZ1' ' NE2' ' A' ' 25' ' ' HIS . 63.1 mttp -141.49 157.22 45.42 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.977 -1.077 . . . . 0.0 110.224 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.58 120.21 41.67 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.5 tttp -91.79 150.49 21.06 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 20.6 pttp -44.87 -23.37 0.13 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 108.507 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.475 ' N ' ' C ' ' A' ' 28' ' ' LYS . 63.3 m -77.92 -52.35 8.98 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.46 -36.13 83.18 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.98 -40.34 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.12 -37.99 81.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.326 -0.859 . . . . 0.0 109.155 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.99 -39.52 86.01 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.97 -50.46 73.66 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.12 -48.59 31.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.931 -1.106 . . . . 0.0 112.962 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 38.3 t-20 -80.97 -46.75 14.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.841 -1.162 . . . . 0.0 112.393 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -39.96 32.69 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.336 -0.853 . . . . 0.0 113.201 -176.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -89.26 -20.68 23.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.366 -1.459 . . . . 0.0 111.7 -177.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -122.19 57.6 1.06 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.097 -1.002 . . . . 0.0 109.611 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.18 -39.97 88.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -127.75 -23.25 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.245 -0.909 . . . . 0.0 110.425 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' B' ' 4' ' ' GLU . 42.6 t80 -62.04 -39.94 94.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.895 -1.128 . . . . 0.0 109.007 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 tp -126.84 160.0 32.22 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.7 pt-20 -55.15 112.36 1.06 Allowed 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.715 -1.194 . . . . 0.0 109.183 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.534 ' CD ' ' HZ3' ' A' ' 48' ' ' LYS . 87.1 tt0 -65.0 141.83 58.64 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.464 -0.773 . . . . 0.0 109.113 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 77.7 mt -98.03 134.44 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.119 -0.988 . . . . 0.0 108.729 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' HZ3' ' CD ' ' A' ' 46' ' ' GLU . 27.3 mmtt -106.47 -25.06 12.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.202 -0.936 . . . . 0.0 110.26 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -112.15 147.96 35.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.904 0.859 . . . . 0.0 111.095 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -72.65 -16.6 61.71 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.3 pt-20 -66.05 -40.02 90.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.372 -0.83 . . . . 0.0 110.561 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.3 t -60.06 -40.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.02 -34.15 68.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.62 -38.71 91.92 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.013 0.911 . . . . 0.0 109.737 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.99 -39.75 75.74 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.36 -27.64 37.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.16 -38.54 88.33 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.1 -39.71 72.56 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.297 -1.502 . . . . 0.0 107.655 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -77.93 -45.69 23.33 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.655 -0.653 . . . . 0.0 111.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 28.2 mt -90.39 -15.81 30.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.839 -1.163 . . . . 0.0 111.223 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.1 t0 -81.07 61.59 4.7 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -59.98 -38.4 82.42 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 64.9 m-20 -75.6 -11.27 59.98 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.14 71.89 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 44.2 p-10 -106.98 8.32 30.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.389 -1.066 . . . . 0.0 110.004 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.5 6.96 82.27 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 40.5 mt-10 -138.63 125.97 21.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.762 -0.846 . . . . 0.0 108.729 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.7 p -94.87 128.36 41.58 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.81 160.04 33.28 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.452 -0.78 . . . . 0.0 110.073 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 4.9 t80 -47.58 -38.69 14.92 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.439 -0.788 . . . . 0.0 109.152 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -66.93 -38.59 86.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.722 -1.236 . . . . 0.0 109.606 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 39.8 mt-10 -66.81 -42.81 85.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 0.0 110.318 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -64.65 -35.85 82.35 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.038 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.421 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.4 mmm -59.95 -38.12 81.55 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.357 0.599 . . . . 0.0 110.424 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.731 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.99 -38.53 82.87 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.959 -1.088 . . . . 0.0 109.574 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.8 t -60.02 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.249 0.547 . . . . 0.0 109.992 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 78.5 p -61.36 -39.99 92.63 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.427 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.42 ' N ' ' HG ' ' A' ' 78' ' ' SER . 75.9 mtp -68.73 -43.47 75.86 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.63 -0.668 . . . . 0.0 111.862 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HA ' ' HZ2' ' X' ' 111' ' ' LYS . 61.4 t -68.52 -34.74 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.899 -1.126 . . . . 0.0 110.755 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.8 m -61.33 -39.95 92.43 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.159 -0.963 . . . . 0.0 108.674 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.18 -39.9 67.04 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.16 84.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.293 -0.879 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -60.02 -37.84 80.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -58.46 -39.35 79.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.963 -1.086 . . . . 0.0 109.178 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -59.97 -39.52 85.94 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.248 -0.907 . . . . 0.0 108.955 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.13 -39.35 14.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.219 -0.926 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.706 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 3' ' ' LEU . 25.8 p 49.96 19.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.0 109.738 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.16 16.94 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 0.0 108.731 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 1' ' ' SER . 55.9 tp -59.35 -31.01 68.8 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . 13.3 pt-20 -63.43 -39.14 93.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 0.0 109.401 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.38 -39.95 94.87 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.576 -0.702 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 0.0 110.687 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.3 mtt -60.98 -40.0 91.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.083 -1.011 . . . . 0.0 109.404 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.15 -37.9 78.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.0 95.8 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.538 -0.727 . . . . 0.0 111.608 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.795 -1.191 . . . . 0.0 108.309 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.41 HG22 HD13 ' B' ' 11' ' ' ILE . 91.6 mt -67.35 -39.98 83.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.825 -0.547 . . . . 0.0 111.031 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.25 -45.61 92.51 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.619 -1.301 . . . . 0.0 111.475 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -38.47 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.418 -0.801 . . . . 0.0 110.132 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 46.8 t80 -51.14 -41.58 60.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.697 -0.627 . . . . 0.0 109.664 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -78.81 -22.34 46.4 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.185 -0.947 . . . . 0.0 111.701 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.62 -40.9 76.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.942 -1.098 . . . . 0.0 111.48 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -120.77 -23.11 6.06 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.293 -0.879 . . . . 0.0 111.217 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 87.4 p -60.05 -40.0 87.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.386 -1.446 . . . . 0.0 108.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.43 -0.97 26.37 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' B' ' 20' ' ' ARG . 37.9 ttt-85 -60.96 -42.4 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -114.13 165.2 12.9 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.606 0.717 . . . . 0.0 110.147 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.98 -29.3 14.08 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.8 m-20 -70.0 53.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.937 -1.331 . . . . 0.0 108.588 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' B' ' 22' ' ' GLY . 12.8 tmtt? -62.5 -40.04 95.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.321 -0.862 . . . . 0.0 110.577 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.836 ' NE2' ' HZ2' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -91.95 -0.02 57.48 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.933 -1.105 . . . . 0.0 110.805 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.836 ' HZ2' ' NE2' ' B' ' 25' ' ' HIS . 63.0 mttp -141.43 157.24 45.42 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 110.254 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.55 120.26 41.85 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' B' ' 30' ' ' SER . 64.3 tttp -91.67 150.51 21.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -44.9 -23.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.957 -1.09 . . . . 0.0 108.491 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' C ' ' B' ' 28' ' ' LYS . 57.8 m -77.83 -52.56 8.69 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.51 -35.79 82.09 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.04 -40.54 89.72 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' B' ' 50' ' ' GLN . 87.9 tttt -60.02 -37.96 81.27 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 109.187 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.01 -39.58 86.26 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.0 -50.17 74.78 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -75.14 -48.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.093 0 O-C-N 121.023 -1.048 . . . . 0.0 112.96 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 38.1 t-20 -80.71 -46.84 14.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.859 -1.151 . . . . 0.0 112.424 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -39.98 32.66 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.361 -0.837 . . . . 0.0 113.219 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.24 -20.62 23.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.379 -1.451 . . . . 0.0 111.682 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -122.4 57.44 1.08 Allowed 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.126 -0.984 . . . . 0.0 109.672 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.6 p -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.215 -0.928 . . . . 0.0 110.249 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -127.58 -22.99 3.52 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.261 -0.9 . . . . 0.0 110.421 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 4' ' ' GLU . 42.2 t80 -62.23 -39.94 94.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 109.081 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -126.86 160.03 32.16 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 11.6 pt-20 -55.18 112.5 1.09 Allowed 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.736 -1.186 . . . . 0.0 109.191 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.497 ' CD ' ' HZ2' ' B' ' 48' ' ' LYS . 87.4 tt0 -65.1 141.67 58.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.536 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 81.2 mt -97.85 134.25 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 108.727 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.497 ' HZ2' ' CD ' ' B' ' 46' ' ' GLU . 24.9 mmtt -106.28 -25.35 11.99 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.222 -0.924 . . . . 0.0 110.225 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -112.15 148.0 34.93 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.926 0.869 . . . . 0.0 111.095 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.513 ' OE1' ' NZ ' ' B' ' 33' ' ' LYS . 11.0 mm100 -72.5 -16.68 61.79 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.2 pt-20 -65.96 -40.04 90.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.36 -0.837 . . . . 0.0 110.53 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 75.2 t -60.13 -39.96 82.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.2 t -66.86 -34.67 71.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.26 -38.67 91.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.997 0.903 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.404 ' HD3' ' HD1' ' Y' ' 105' ' ' HIS . 64.5 tttm -70.0 -39.77 75.67 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 122.162 0.982 . . . . 0.0 108.355 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.1 -28.09 39.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.05 -38.51 88.56 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.27 -39.58 72.86 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.346 -1.471 . . . . 0.0 107.589 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -77.84 -45.66 23.7 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.676 -0.64 . . . . 0.0 111.658 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 27.8 mt -90.34 -16.1 29.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.793 -1.192 . . . . 0.0 111.271 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.3 t0 -80.84 61.6 4.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -59.88 -38.43 82.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.54 -11.21 59.98 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.95 31.14 71.46 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.9 p-10 -107.09 8.29 30.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.35 -1.088 . . . . 0.0 110.005 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 75.66 6.7 82.07 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 39.2 mt-10 -138.59 126.1 21.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 3.6 p -94.87 128.19 41.45 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.62 160.06 33.33 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.445 -0.784 . . . . 0.0 110.053 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.418 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 4.9 t80 -47.55 -38.76 14.84 Favored 'General case' 0 C--O 1.203 -1.366 0 O-C-N 121.407 -0.808 . . . . 0.0 109.135 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.89 -38.66 86.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.797 -1.189 . . . . 0.0 109.653 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 39.8 mt-10 -66.66 -42.74 86.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.925 -1.109 . . . . 0.0 110.281 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -64.49 -36.19 83.39 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.34 -0.85 . . . . 0.0 108.985 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.418 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 77.4 mmm -60.02 -37.92 81.18 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.25 0.547 . . . . 0.0 110.414 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -67.22 -34.05 76.65 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.85 -1.157 . . . . 0.0 110.758 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.0 -38.51 82.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.977 -1.077 . . . . 0.0 109.445 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.0 -39.82 81.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.213 0.53 . . . . 0.0 110.056 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 77.0 p -61.29 -40.02 92.58 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 109.38 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 75.7 mtp -68.53 -43.75 76.06 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.724 -0.61 . . . . 0.0 111.876 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.404 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 62.3 t -68.35 -35.01 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.829 -1.17 . . . . 0.0 110.771 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -61.04 -40.03 92.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.157 -0.964 . . . . 0.0 108.67 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.36 -40.0 67.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.95 83.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 108.856 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.7 m -59.95 -37.74 80.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.474 -0.766 . . . . 0.0 109.952 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -58.49 -39.62 80.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.981 -1.074 . . . . 0.0 109.157 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.01 -39.21 85.03 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 108.956 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -88.18 -39.46 14.49 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.138 -0.977 . . . . 0.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.687 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.358 0.599 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.826 -1.171 . . . . 0.0 108.626 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.53 -30.62 68.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.278 -0.889 . . . . 0.0 108.946 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -57.16 -40.0 76.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.69 -1.256 . . . . 0.0 107.648 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.582 ' CG ' ' HZ3' ' X' ' 111' ' ' LYS . 5.8 tt -70.02 -40.01 75.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.644 -0.66 . . . . 0.0 109.73 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -43.17 -24.51 0.08 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 110.197 -179.444 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -41.05 -48.09 3.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 110.057 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.582 ' HZ3' ' CG ' ' X' ' 108' ' ' LEU . 9.4 ptpt -75.25 -31.5 60.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.204 -0.935 . . . . 0.0 109.624 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 36.4 m -60.04 -39.85 87.36 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.598 -0.689 . . . . 0.0 . 179.416 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.386 0.612 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.404 ' HD1' ' HD3' ' B' ' 55' ' ' LYS . 12.2 t-80 -59.92 -39.85 86.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.842 -1.161 . . . . 0.0 108.679 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -59.43 -30.83 68.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.908 . . . . 0.0 109.029 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -57.17 -39.97 76.38 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.577 ' CG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.9 tt -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.65 -0.656 . . . . 0.0 109.705 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -43.15 -24.62 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.967 -1.083 . . . . 0.0 110.268 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -41.03 -47.92 3.16 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.329 -0.857 . . . . 0.0 110.076 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.582 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 9.5 ptpt -75.35 -31.62 60.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 0.0 109.542 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -60.04 -39.35 85.61 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 . 179.249 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 2' ' ' GLU . 68.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 3' ' ' LEU . 52.8 p 50.74 10.38 0.06 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.178 -0.951 . . . . 0.0 109.7 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 0' ' ' MET . 17.5 pt-20 -75.73 18.63 0.24 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.9 tt -60.04 -37.65 80.43 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.33 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.96 -37.92 80.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.134 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.01 -40.82 96.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.414 -0.804 . . . . 0.0 109.536 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.98 86.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 110.643 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 mtt -62.56 -39.99 95.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.65 -36.84 77.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-O 121.359 0.599 . . . . 0.0 109.413 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.02 87.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 111.556 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.718 -1.239 . . . . 0.0 108.605 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -69.04 -38.82 78.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 110.62 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -61.44 -49.54 76.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.769 -1.207 . . . . 0.0 111.434 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.88 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.86 -38.73 82.95 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.003 -1.061 . . . . 0.0 109.379 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.04 -30.21 70.69 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.296 -0.878 . . . . 0.0 110.084 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -59.96 -41.12 91.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 110.344 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -94.75 -21.54 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.871 -1.143 . . . . 0.0 111.656 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.2 p -57.13 -40.04 76.34 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.635 -1.291 . . . . 0.0 107.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.73 39.47 2.95 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.59 -64.68 0.94 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.733 -1.451 . . . . 0.0 109.901 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -114.66 -19.54 11.05 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.42 -0.8 . . . . 0.0 109.49 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.46 -14.62 1.83 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' LYS . 4.6 m-20 -76.01 58.36 1.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.824 -1.397 . . . . 0.0 108.541 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.35 -39.95 88.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.42 -0.8 . . . . 0.0 109.989 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -79.73 -20.87 45.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.345 -0.847 . . . . 0.0 111.323 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 mtmm -140.39 151.44 44.94 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.8 -1.187 . . . . 0.0 110.608 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.95 134.58 49.89 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.333 -0.854 . . . . 0.0 108.702 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.8 tttp -101.46 145.81 28.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 108.743 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.4 pttp -41.8 -23.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.825 0.821 . . . . 0.0 109.337 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.5 m -76.7 -54.66 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 99.0 mt-10 -61.36 -35.99 78.96 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.99 -41.43 92.04 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.685 -0.635 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.678 ' NZ ' HD21 ' A' ' 37' ' ' ASN . 63.2 tttm -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.09 -1.006 . . . . 0.0 109.917 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.6 mp0 -65.95 -36.93 84.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 108.966 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.2 tm? -60.73 -46.81 89.0 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.638 -1.289 . . . . 0.0 108.637 178.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 36' ' ' ILE . 88.4 mt -72.63 -51.46 28.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.85 -0.532 . . . . 0.0 111.972 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.678 HD21 ' NZ ' ' A' ' 33' ' ' LYS . 98.4 m-20 -73.53 -48.66 31.38 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.286 -0.966 . . . . 0.0 112.451 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -44.68 38.07 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 6.5 tp10 -83.23 -15.41 50.47 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.338 -1.476 . . . . 0.0 111.033 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 44' ' ' LEU . 6.3 mt -138.53 49.93 1.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.902 -1.124 . . . . 0.0 110.075 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.9 p -63.07 -44.96 94.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.051 -1.031 . . . . 0.0 109.425 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.11 -38.66 8.85 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.307 -0.871 . . . . 0.0 110.055 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.331 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -125.23 134.97 52.13 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 178.248 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.548 ' O ' ' NH2' ' X' ' 104' ' ' ARG . 16.6 pt-20 -52.0 117.0 2.46 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.45 -1.406 . . . . 0.0 109.168 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -51.27 150.58 3.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 110.301 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 6.0 mm -84.28 141.25 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -107.63 -17.6 14.05 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.287 -0.883 . . . . 0.0 110.736 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -139.98 141.82 36.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.92 -1.113 . . . . 0.0 109.904 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.98 -27.96 67.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.713 -0.617 . . . . 0.0 110.997 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.99 -38.71 83.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.008 -1.057 . . . . 0.0 110.502 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.022 -1.048 . . . . 0.0 108.783 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.32 -38.58 82.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 64.7 t0 -65.3 -35.94 82.54 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 110.17 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.82 -32.72 59.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.621 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.83 67.09 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.528 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.06 -40.03 83.89 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 119.947 -1.721 . . . . 0.0 106.647 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -74.51 -42.87 58.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.785 -0.572 . . . . 0.0 111.305 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 39.0 mt -89.53 -16.79 29.93 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.721 -1.237 . . . . 0.0 110.54 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 57' ' ' MET . 58.1 t0 -81.42 62.3 5.26 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.89 -39.8 86.57 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.675 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -80.99 -7.29 59.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.238 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.48 85.09 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.0 p-10 -105.71 0.42 26.24 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.088 -1.242 . . . . 0.0 110.045 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.8 5.29 83.72 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.507 -1.837 . . . . 0.0 108.507 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 63.7 mt-10 -137.86 134.52 35.18 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.93 128.89 48.14 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -79.43 172.76 13.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 110.31 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -49.02 -40.04 29.34 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 121.317 -0.865 . . . . 0.0 109.147 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.46 -53.04 48.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.907 -1.121 . . . . 0.0 110.47 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 88.8 mt-10 -61.14 -40.36 93.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.016 . . . . 0.0 111.005 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.86 -36.96 86.04 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.962 -1.086 . . . . 0.0 109.517 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.9 mmm -59.91 -38.79 83.33 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.667 -0.645 . . . . 0.0 110.828 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.01 -30.08 69.24 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.751 -1.218 . . . . 0.0 110.735 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 108.975 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.0 t -60.25 -39.86 81.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 t -66.73 -39.91 88.14 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.554 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.8 mtp -70.04 -41.19 74.54 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.41 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.6 -33.15 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.497 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -40.05 87.95 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -56.87 -37.82 71.87 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.79 83.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.1 m -59.99 -32.87 71.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.553 -0.717 . . . . 0.0 109.484 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.28 -45.95 86.97 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.877 -1.14 . . . . 0.0 108.719 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.084 -1.01 . . . . 0.0 108.775 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.1 -52.49 14.07 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 110.117 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 8.2 t80 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.514 ' C ' ' H ' ' B' ' 2' ' ' GLU . 68.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 3' ' ' LEU . 54.4 p 50.97 10.28 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.169 -0.957 . . . . 0.0 109.71 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' B' ' 0' ' ' MET . 17.6 pt-20 -75.69 18.51 0.24 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.08 -37.26 79.41 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.46 -0.775 . . . . 0.0 109.4 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.09 -38.07 81.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.116 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -61.8 -40.68 96.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.05 85.9 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.325 -0.859 . . . . 0.0 110.522 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.8 mtt -62.51 -40.02 95.39 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 109.808 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -36.8 77.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.372 0.606 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.99 87.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.729 . . . . 0.0 111.423 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.0 -39.99 87.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.707 -1.246 . . . . 0.0 108.658 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.16 -38.8 78.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.667 -0.646 . . . . 0.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -61.57 -49.1 78.0 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.795 -1.191 . . . . 0.0 111.362 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -39.77 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.255 -0.903 . . . . 0.0 110.209 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.92 -38.63 82.88 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.022 -1.048 . . . . 0.0 109.363 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -66.01 -30.23 70.74 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -59.99 -41.02 91.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.306 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -94.92 -21.42 18.65 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.909 -1.119 . . . . 0.0 111.638 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -57.08 -40.04 76.17 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.664 -1.273 . . . . 0.0 107.815 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.92 39.63 2.97 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -64.46 0.99 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.682 -1.481 . . . . 0.0 109.921 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -114.43 -20.17 10.9 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.457 -0.777 . . . . 0.0 109.573 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.73 -14.43 1.77 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 26' ' ' LYS . 4.5 m-20 -76.07 58.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.889 -1.359 . . . . 0.0 108.53 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -60.22 -39.99 88.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -79.63 -20.84 45.8 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.448 -0.783 . . . . 0.0 111.325 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.7 mtmm -140.89 151.56 44.37 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.815 -1.178 . . . . 0.0 110.665 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.73 134.69 49.5 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 108.773 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 30' ' ' SER . 56.9 tttp -101.34 145.93 28.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 108.837 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 18.1 pttp -42.0 -23.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.308 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.499 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -77.21 -54.73 6.13 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 98.2 mt-10 -60.98 -36.12 78.6 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.03 -41.43 92.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.677 -0.639 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.672 ' NZ ' HD21 ' B' ' 37' ' ' ASN . 62.8 tttm -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.019 -1.051 . . . . 0.0 109.955 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.6 mp0 -65.94 -36.77 84.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.149 -0.969 . . . . 0.0 109.042 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -60.8 -47.05 88.11 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.652 -1.28 . . . . 0.0 108.606 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.24 -51.51 29.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.758 -0.589 . . . . 0.0 112.011 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.672 HD21 ' NZ ' ' B' ' 33' ' ' LYS . 98.5 m-20 -73.36 -48.98 29.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.139 -0.976 . . . . 0.0 112.436 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -44.98 39.31 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -176.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' A' ' 1' ' ' SER . 6.1 tp10 -83.27 -14.83 52.31 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.324 -1.485 . . . . 0.0 111.012 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' B' ' 44' ' ' LEU . 6.6 mt -138.88 49.53 1.87 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.951 -1.093 . . . . 0.0 110.059 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -63.02 -44.95 94.55 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 109.425 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.05 -38.49 8.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.402 -0.812 . . . . 0.0 110.117 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.278 -0.889 . . . . 0.0 109.288 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -125.77 135.18 51.74 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.523 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 16.7 pt-20 -51.87 116.9 2.38 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.208 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.06 150.39 3.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.555 -0.716 . . . . 0.0 110.184 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.462 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 5.1 mm -84.07 141.32 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -107.47 -17.82 14.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.338 -0.851 . . . . 0.0 110.767 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -139.94 141.74 36.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.961 -1.087 . . . . 0.0 109.929 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -60.07 -27.65 67.14 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.722 -0.611 . . . . 0.0 111.029 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -60.08 -38.89 84.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.012 -1.055 . . . . 0.0 110.344 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.05 -39.93 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.04 -1.037 . . . . 0.0 108.75 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.8 t -65.26 -38.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.664 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 63.9 t0 -65.25 -36.32 83.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.374 -0.829 . . . . 0.0 110.2 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.24 -40.04 86.25 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.95 -32.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.632 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.95 67.24 Favored 'General case' 0 C--O 1.197 -1.679 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.503 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.92 -39.97 83.13 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.971 -1.706 . . . . 0.0 106.721 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -74.6 -42.98 57.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.743 -0.598 . . . . 0.0 111.219 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 39.1 mt -89.52 -16.61 30.34 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.78 -1.2 . . . . 0.0 110.487 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.632 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.3 t0 -81.53 62.31 5.35 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.0 -39.72 86.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.625 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -80.97 -7.35 59.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.252 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.67 37.33 84.55 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.322 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 44.9 p-10 -105.62 0.57 26.56 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.138 -1.213 . . . . 0.0 110.124 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.533 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 76.71 5.07 83.0 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -137.45 134.49 35.88 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -102.23 128.59 48.68 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -79.58 172.45 13.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.147 -0.971 . . . . 0.0 110.345 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -48.63 -39.97 26.03 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.448 -0.783 . . . . 0.0 109.226 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.92 -52.74 47.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.834 -1.166 . . . . 0.0 110.439 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.0 mt-10 -61.36 -40.19 93.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 111.003 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.9 -36.89 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.001 -1.062 . . . . 0.0 109.496 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 65.3 mmm -60.02 -38.68 83.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.703 -0.623 . . . . 0.0 110.818 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.1 69.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.758 -1.213 . . . . 0.0 110.77 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.042 -1.036 . . . . 0.0 109.002 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.9 t -60.25 -39.64 81.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -66.88 -40.01 87.66 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.579 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 37.6 mtp -69.95 -40.92 75.15 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 111.428 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.8 -33.33 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.922 -1.111 . . . . 0.0 109.594 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.01 87.56 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -56.77 -37.6 71.31 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.12 84.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.9 m -59.99 -32.68 71.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.537 -0.727 . . . . 0.0 109.43 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -58.33 -46.09 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.886 -1.134 . . . . 0.0 108.756 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.26 -40.03 92.55 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.02 . . . . 0.0 108.666 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -73.05 -52.7 13.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.598 -0.689 . . . . 0.0 110.098 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 7.7 t80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 3.5 p-80 -60.0 -39.98 87.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.71 -1.244 . . . . 0.0 108.067 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.615 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 6.3 tmtm? -59.99 -31.52 69.99 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 109.121 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.05 -24.79 47.62 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.252 -0.905 . . . . 0.0 109.554 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.476 ' O ' ' N ' ' X' ' 112' ' ' THR . 29.9 mmt -59.55 -24.52 63.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.684 -1.26 . . . . 0.0 109.496 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.1 p90 -43.78 -43.99 6.46 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.953 -1.092 . . . . 0.0 109.259 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.8 pttt -68.49 -33.89 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.442 -0.787 . . . . 0.0 108.956 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.476 ' N ' ' O ' ' X' ' 109' ' ' MET . 86.1 m -60.64 -40.03 90.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.584 -0.698 . . . . 0.0 109.357 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 . 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 3.7 p-80 -59.95 -39.98 87.41 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 118.736 -1.186 . . . . 0.0 107.955 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 6.4 tmtm? -59.99 -31.6 70.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.084 -1.01 . . . . 0.0 109.212 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.04 -24.77 47.66 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.468 ' O ' ' N ' ' Y' ' 112' ' ' THR . 29.3 mmt -59.52 -24.44 63.66 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.769 -1.207 . . . . 0.0 109.504 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -44.0 -44.08 7.07 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.871 -1.143 . . . . 0.0 109.246 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.7 pttt -68.24 -34.45 76.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.384 -0.822 . . . . 0.0 108.877 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.468 ' N ' ' O ' ' Y' ' 109' ' ' MET . 87.5 m -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.52 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 0.0 . 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 3' ' ' LEU . 7.6 t 59.53 25.02 13.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.801 . . . . 0.0 109.419 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.44 8.94 2.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.032 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 1' ' ' SER . 3.4 tm? -45.82 -24.68 0.41 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.586 -0.696 . . . . 0.0 109.319 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.32 -39.45 89.28 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.037 -1.04 . . . . 0.0 110.668 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -80.36 -29.95 37.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.985 -1.072 . . . . 0.0 109.583 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.39 -42.06 72.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.319 -0.863 . . . . 0.0 111.832 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.419 ' SD ' ' SG ' ' B' ' 84' ' ' CYS . 39.5 mtt -72.45 -36.14 68.46 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.719 -1.238 . . . . 0.0 109.767 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 -39.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.741 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.33 69.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.282 -0.886 . . . . 0.0 111.023 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.95 -40.1 87.84 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.89 -39.71 82.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.484 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.12 -41.41 92.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.822 -1.174 . . . . 0.0 111.428 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -40.32 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.165 -0.96 . . . . 0.0 110.346 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.25 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.36 -36.21 79.59 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.525 -0.735 . . . . 0.0 111.086 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -60.03 -40.4 89.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.698 -1.252 . . . . 0.0 110.834 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 35' ' ' LEU . 47.8 m-85 -86.12 -33.49 20.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.759 -1.213 . . . . 0.0 112.073 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 p -60.19 -40.02 88.56 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.747 -1.22 . . . . 0.0 109.426 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.9 5.69 78.04 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.98 -47.42 85.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.976 -1.308 . . . . 0.0 110.544 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -99.68 -53.7 3.12 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.075 -1.015 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.37 -22.93 0.14 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.56 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.5 m-20 -82.49 78.35 9.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.782 -1.422 . . . . 0.0 109.156 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.91 -39.91 94.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -79.95 -10.78 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.891 . . . . 0.0 111.12 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.4 ttmm -141.54 139.55 33.24 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.864 -1.147 . . . . 0.0 110.206 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -108.46 128.74 55.06 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 30' ' ' SER . 49.6 mtmt -97.58 157.54 15.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.762 -1.211 . . . . 0.0 109.683 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -50.02 -23.36 2.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 70.3 m -75.69 -49.52 18.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.46 0.648 . . . . 0.0 109.304 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -66.41 -33.07 74.89 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.88 -41.47 96.08 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.76 -34.59 75.84 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.994 -1.066 . . . . 0.0 109.33 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 8.6 tt -65.25 -49.29 70.19 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.831 -1.168 . . . . 0.0 109.188 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.4 mt -70.47 -47.39 65.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.396 -0.815 . . . . 0.0 111.169 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -68.98 -38.48 79.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.765 -1.209 . . . . 0.0 111.766 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' ' 38' ' ' ASN . 0.6 OUTLIER -98.83 -32.59 11.27 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.209 -0.932 . . . . 0.0 113.291 -176.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tm-20 -79.62 -14.24 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.104 -1.623 . . . . 0.0 108.547 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 29.8 mt -114.1 62.11 0.66 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 88.3 p -60.05 -39.83 87.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.128 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 23.4 t-160 -137.5 3.56 2.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.145 -0.972 . . . . 0.0 110.294 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -49.51 75.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 109.034 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.68 177.19 11.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.068 -1.02 . . . . 0.0 110.857 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' GLU . 54.9 tp10 -53.99 99.95 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.705 0.764 . . . . 0.0 109.5 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 53.5 mp0 -50.42 179.53 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 122.028 0.918 . . . . 0.0 110.114 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -102.65 133.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -106.99 -28.73 9.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.26 -0.9 . . . . 0.0 108.891 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -118.58 143.15 46.98 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.15 -15.81 63.01 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.04 -39.72 86.91 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.944 -1.097 . . . . 0.0 109.143 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.3 t -59.92 -38.09 74.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.382 -0.824 . . . . 0.0 108.864 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.79 -34.54 65.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.727 -0.608 . . . . 0.0 110.494 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 47.2 t0 -70.09 -34.64 73.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.015 -1.053 . . . . 0.0 109.634 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -68.74 -39.97 80.06 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.33 -34.74 72.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.587 ' O ' ' N ' ' A' ' 61' ' ' ASP . 73.0 mmm -70.01 -28.93 65.9 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.615 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.67 -37.05 72.76 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.7 m -78.31 -47.12 18.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.052 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -88.83 -10.86 46.54 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.82 -1.175 . . . . 0.0 110.821 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 57' ' ' MET . 63.0 t0 -80.8 63.32 5.16 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.23 -40.0 80.54 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 p-10 -80.72 -6.6 58.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.137 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 36.53 91.23 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 120.097 -1.049 . . . . 0.0 110.575 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.8 p-10 -106.45 -1.06 23.58 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.254 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.502 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.44 3.93 88.92 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.6 mt-10 -138.03 140.02 39.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.28 130.65 56.19 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.986 -1.071 . . . . 0.0 108.343 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -82.91 165.96 19.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 0.0 110.433 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -46.23 -29.16 1.49 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.486 -0.759 . . . . 0.0 109.404 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -71.66 -48.85 44.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.224 -0.923 . . . . 0.0 109.142 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.66 -39.92 80.41 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.55 -27.41 65.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.327 -0.858 . . . . 0.0 108.958 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.429 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.0 OUTLIER -60.03 -39.81 87.19 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.06 71.71 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.976 -1.077 . . . . 0.0 110.054 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.8 -40.08 91.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.34 -36.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.484 -0.76 . . . . 0.0 110.01 -178.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.489 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 3.5 m -68.94 -40.04 79.22 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.57 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.415 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 90.1 mtp -61.67 -50.0 74.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 110.713 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -67.95 -31.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.63 -1.294 . . . . 0.0 109.968 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 95.5 m -60.0 -40.04 87.84 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.4 -0.812 . . . . 0.0 108.992 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.403 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 25.2 m -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.95 89.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 108.693 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.45 ' SG ' ' SD ' ' B' ' 7' ' ' MET . 5.6 m -60.09 -32.74 71.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.83 -0.544 . . . . 0.0 109.807 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -59.9 -39.87 86.85 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -39.92 87.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -77.23 -22.37 52.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 110.096 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 43.0 t80 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.404 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.426 ' C ' ' H ' ' B' ' 3' ' ' LEU . 6.8 t 59.59 24.69 13.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.412 -0.805 . . . . 0.0 109.628 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.2 9.1 2.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.023 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' B' ' 1' ' ' SER . 3.4 tm? -45.97 -24.89 0.47 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.601 -0.687 . . . . 0.0 109.289 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.14 -39.49 89.9 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.066 -1.021 . . . . 0.0 110.711 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.28 -30.2 38.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.949 -1.094 . . . . 0.0 109.632 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.05 73.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.0 111.867 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.45 ' SD ' ' SG ' ' A' ' 84' ' ' CYS . 39.6 mtt -72.6 -35.72 67.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.704 -1.248 . . . . 0.0 109.702 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.58 -40.08 86.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.78 69.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.301 -0.874 . . . . 0.0 110.952 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.56 -40.46 87.36 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -67.49 -39.9 83.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.15 -41.38 92.64 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.841 -1.162 . . . . 0.0 111.41 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -40.23 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.983 . . . . 0.0 110.445 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.97 -40.01 87.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.304 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.59 -35.91 79.19 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.412 -0.805 . . . . 0.0 111.166 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -60.02 -40.5 89.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.702 -1.249 . . . . 0.0 110.784 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.407 ' CE1' ' HA ' ' B' ' 35' ' ' LEU . 48.5 m-85 -86.08 -33.52 20.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.843 -1.161 . . . . 0.0 112.048 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -60.0 -40.1 88.05 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.755 -1.216 . . . . 0.0 109.536 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 5.54 78.52 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.93 -47.61 85.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.866 -1.373 . . . . 0.0 110.442 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -99.47 -53.91 3.08 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.53 -22.5 0.13 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 -82.5 78.16 9.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.837 -1.39 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.94 -39.95 94.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.481 -0.762 . . . . 0.0 109.982 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -79.86 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.903 . . . . 0.0 111.155 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 14.1 ttmm -141.75 139.47 32.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.795 -1.191 . . . . 0.0 110.088 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -108.54 128.76 55.1 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' B' ' 30' ' ' SER . 50.4 mtmt -97.46 157.44 16.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.707 -1.246 . . . . 0.0 109.749 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -50.0 -23.5 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.404 ' N ' ' C ' ' B' ' 28' ' ' LYS . 56.4 m -75.97 -49.05 18.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.34 -33.38 75.61 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.73 -41.41 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.816 -0.553 . . . . 0.0 109.74 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -60.13 -39.8 87.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.203 -0.936 . . . . 0.0 110.316 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.06 -34.24 74.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.977 -1.077 . . . . 0.0 109.316 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 8.7 tt -65.44 -49.44 69.16 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.739 -1.225 . . . . 0.0 109.1 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.23 -47.65 65.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.436 -0.79 . . . . 0.0 111.211 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.48 -38.9 81.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.799 -1.188 . . . . 0.0 111.78 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.582 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -98.7 -32.69 11.27 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.191 -0.943 . . . . 0.0 113.31 -176.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tm-20 -79.58 -14.07 59.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.108 -1.62 . . . . 0.0 108.577 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.42 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 29.7 mt -114.35 62.0 0.67 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 87.9 p -59.95 -39.74 86.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.156 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.437 ' O ' ' CD2' ' B' ' 42' ' ' HIS . 23.6 t-160 -137.72 3.32 2.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.14 -0.975 . . . . 0.0 110.214 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -49.86 74.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.851 -1.155 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.41 177.3 11.52 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.118 -0.989 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 46' ' ' GLU . 54.9 tp10 -53.93 99.53 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.682 0.753 . . . . 0.0 109.541 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 41' ' ' SER . 54.3 mp0 -50.16 179.47 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.983 0.897 . . . . 0.0 110.253 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -102.48 133.68 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -106.97 -28.51 10.01 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.266 -0.896 . . . . 0.0 108.971 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -118.59 142.69 47.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.624 -0.672 . . . . 0.0 109.737 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.82 -15.88 63.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 14.8 pt-20 -59.9 -39.79 86.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.969 -1.082 . . . . 0.0 109.313 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.407 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 85.2 t -59.96 -37.8 73.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.04 -34.32 63.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.673 -0.642 . . . . 0.0 110.437 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 47.2 t0 -70.16 -34.88 73.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.056 -1.028 . . . . 0.0 109.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -68.7 -40.04 80.22 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 t -66.18 -34.82 72.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.619 ' O ' ' N ' ' B' ' 61' ' ' ASP . 72.8 mmm -69.95 -28.79 65.85 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.71 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.86 -36.96 73.06 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -78.39 -47.28 17.96 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.026 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 3.8 mm? -88.7 -10.74 47.36 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.805 -1.185 . . . . 0.0 110.821 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' B' ' 57' ' ' MET . 63.0 t0 -80.83 63.32 5.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.12 -40.09 80.35 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.282 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 42.5 p-10 -80.66 -6.49 58.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.993 -1.067 . . . . 0.0 109.196 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.53 91.43 Favored Glycine 0 N--CA 1.496 2.682 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.531 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.3 p-10 -106.46 -1.04 23.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.078 -1.249 . . . . 0.0 110.224 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.46 3.74 88.86 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.2 mt-10 -137.69 139.99 40.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.18 130.46 56.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.986 -1.071 . . . . 0.0 108.374 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -82.77 166.05 19.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.31 -0.868 . . . . 0.0 110.434 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -46.26 -29.14 1.49 Allowed 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.503 -0.748 . . . . 0.0 109.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.55 -48.68 46.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.144 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.199 -0.938 . . . . 0.0 109.606 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -69.81 -27.16 64.66 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.286 -0.884 . . . . 0.0 108.966 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.446 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.02 -40.01 87.81 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.97 71.45 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.879 -1.138 . . . . 0.0 110.078 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.66 -40.08 90.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.042 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.2 OUTLIER -60.41 -36.53 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.433 -0.792 . . . . 0.0 109.903 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.489 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 3.6 m -69.17 -40.01 78.38 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.619 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.57 -49.84 75.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 110.804 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.25 -31.06 49.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.727 -1.233 . . . . 0.0 109.961 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 95.3 m -60.08 -40.08 88.29 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.824 0.821 . . . . 0.0 108.911 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.429 ' OG1' ' SD ' ' A' ' 74' ' ' MET . 26.5 m -60.12 -39.9 87.83 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.03 89.21 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.419 ' SG ' ' SD ' ' A' ' 7' ' ' MET . 5.7 m -59.99 -32.78 71.17 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.835 -0.541 . . . . 0.0 109.882 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -59.83 -40.13 87.42 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -59.95 -39.82 86.88 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -77.32 -22.5 51.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.506 -0.746 . . . . 0.0 110.026 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 42.7 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 120.965 -1.085 . . . . 0.0 109.364 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 17.8 p-80 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.581 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.8 ttpt -60.02 -29.57 68.59 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.2 -39.9 80.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.434 -0.791 . . . . 0.0 108.971 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 7.1 tp -79.67 -24.74 41.57 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.033 0.921 . . . . 0.0 109.661 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' X' ' 110' ' ' PHE . 31.3 mmt -60.7 -24.8 65.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.622 -1.298 . . . . 0.0 111.062 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' X' ' 109' ' ' MET . 2.5 p90 -45.28 -39.01 6.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.664 -1.273 . . . . 0.0 110.505 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 79' ' ' MET . 13.4 mtmt -69.9 -40.01 75.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.658 -1.277 . . . . 0.0 108.498 177.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -27.9 66.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.568 -0.707 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.578 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 18.3 p-80 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.578 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.9 ttpt -59.98 -29.66 68.59 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -58.14 -39.91 79.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.338 -0.851 . . . . 0.0 109.003 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 7.1 tp -79.71 -24.63 41.54 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.972 0.891 . . . . 0.0 109.606 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.408 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 32.0 mmt -60.77 -24.81 66.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.625 -1.297 . . . . 0.0 110.992 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' Y' ' 109' ' ' MET . 2.4 p90 -45.24 -38.83 5.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 110.567 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -70.02 -39.75 75.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.69 -1.256 . . . . 0.0 108.504 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -28.2 67.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.675 -0.641 . . . . 0.0 . 179.53 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.6 m 60.04 24.84 14.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.49 21.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.399 -0.813 . . . . 0.0 109.33 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.0 tp -59.96 -34.09 72.81 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.09 -40.03 88.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.386 -0.821 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -69.93 -38.66 76.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.102 -0.999 . . . . 0.0 109.881 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -39.97 83.68 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.217 -0.927 . . . . 0.0 110.976 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.012 -1.055 . . . . 0.0 109.655 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.47 -39.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.622 0.725 . . . . 0.0 109.239 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.98 93.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.693 -0.629 . . . . 0.0 111.648 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.729 -1.232 . . . . 0.0 108.209 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.752 -0.592 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -43.93 97.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.803 -1.186 . . . . 0.0 111.739 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -40.06 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.951 -1.093 . . . . 0.0 110.62 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' O ' ' OG ' ' A' ' 18' ' ' SER . 64.9 t80 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 109.454 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -77.61 -22.21 51.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.92 -1.113 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -55.04 -45.0 75.17 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.102 -0.999 . . . . 0.0 110.569 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 27.0 p90 -116.18 -26.01 7.38 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.138 -0.976 . . . . 0.0 111.567 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 84.2 p -59.99 -39.95 87.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.656 -1.278 . . . . 0.0 109.322 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.73 -3.5 50.01 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 35.1 ttt-85 -59.98 -44.03 94.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.34 -1.094 . . . . 0.0 109.586 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.4 mm-40 -114.31 160.01 19.56 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.555 0.693 . . . . 0.0 110.06 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.37 -14.72 0.06 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.0 m-20 -80.03 50.65 1.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.785 -1.421 . . . . 0.0 109.714 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -70.62 -40.01 73.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.978 -1.076 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -81.91 -14.24 56.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.238 -0.914 . . . . 0.0 111.066 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.4 pttt -138.74 159.9 40.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.065 -1.022 . . . . 0.0 108.951 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -113.55 120.49 41.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 0.0 109.048 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -94.74 147.8 22.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.824 -1.173 . . . . 0.0 108.703 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.1 pttm -41.49 -23.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.457 -0.777 . . . . 0.0 109.238 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.88 -49.5 37.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.457 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.99 -36.88 83.15 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.119 -0.988 . . . . 0.0 108.911 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.05 -39.03 84.58 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 36.9 tp10 -66.64 -39.96 88.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.405 -0.809 . . . . 0.0 110.261 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.1 -49.52 77.34 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.284 1.04 . . . . 0.0 108.525 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mt -77.53 -48.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.259 -0.901 . . . . 0.0 112.813 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.7 -41.18 27.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.916 -1.115 . . . . 0.0 113.285 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.443 ' OD1' ' OE2' ' A' ' 34' ' ' GLU . 1.7 t-20 -97.06 -33.99 11.33 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.439 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 10.9 tp10 -88.28 -14.63 37.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.272 -1.518 . . . . 0.0 110.476 -177.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 11.0 mt -143.48 51.27 1.36 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.959 -1.088 . . . . 0.0 109.698 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -60.94 -47.76 84.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.042 -1.036 . . . . 0.0 110.404 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -96.86 -37.19 10.34 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.916 -1.115 . . . . 0.0 110.933 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.17 -38.26 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.155 -0.965 . . . . 0.0 110.264 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -125.23 157.78 35.71 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -54.17 106.91 0.22 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.52 144.71 46.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.454 -0.778 . . . . 0.0 109.567 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -91.29 137.96 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -105.03 -19.51 13.81 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 77.9 tt0 -140.04 140.7 36.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.184 -0.948 . . . . 0.0 109.911 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -64.23 -20.55 66.11 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.306 -0.871 . . . . 0.0 110.788 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 17.3 pt-20 -60.04 -37.6 80.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.099 . . . . 0.0 109.286 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.95 -40.01 81.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 59.3 t0 -64.84 -38.25 90.36 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.085 0.945 . . . . 0.0 109.565 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HZ3' ' CD2' ' X' ' 105' ' ' HIS . 33.4 ttpt -68.56 -40.0 80.81 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.22 -27.65 41.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -69.55 -32.63 71.55 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.124 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.8 -37.65 68.9 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.12 -1.613 . . . . 0.0 106.857 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -82.15 -44.15 16.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.764 -0.585 . . . . 0.0 111.81 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 53.2 mt -88.71 -19.02 26.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.855 -1.153 . . . . 0.0 110.771 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.8 t0 -80.9 62.95 5.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 87.6 mt-10 -58.77 -39.16 80.19 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.51 -16.33 61.29 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.2 33.43 87.22 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.0 p-10 -108.2 6.91 27.14 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -1.204 . . . . 0.0 110.247 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.56 10.03 86.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.9 mt-10 -145.64 128.47 16.34 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 135.48 39.31 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.763 -1.211 . . . . 0.0 108.537 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -69.04 160.67 30.55 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.81 -39.97 19.74 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.96 -46.39 89.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.658 -0.651 . . . . 0.0 110.866 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 38.0 mt-10 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.98 -1.075 . . . . 0.0 110.545 -177.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -67.52 -34.42 77.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.067 -1.021 . . . . 0.0 109.458 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.0 mmm -59.95 -35.72 75.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.242 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -32.11 70.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.801 -1.187 . . . . 0.0 110.648 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.756 -1.215 . . . . 0.0 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -61.38 -34.87 63.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.479 0.656 . . . . 0.0 109.458 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.42 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 53.1 m -60.06 -39.98 87.88 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.465 -0.772 . . . . 0.0 110.368 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.5 mtm -79.09 -44.45 22.08 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.604 -1.238 . . . . 0.0 111.885 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.03 -38.56 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.598 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.08 -39.99 88.0 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -36.99 62.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.0 94.19 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.98 -36.34 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.635 -0.665 . . . . 0.0 109.818 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -59.95 -40.49 89.17 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.055 -1.028 . . . . 0.0 109.075 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.76 -40.95 98.87 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.9 -1.125 . . . . 0.0 108.421 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.29 -38.31 56.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.446 -0.784 . . . . 0.0 109.721 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.214 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 60.01 24.74 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.16 -0.962 . . . . 0.0 109.605 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.44 21.85 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 109.254 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.9 tp -60.02 -34.14 72.96 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.205 -0.934 . . . . 0.0 109.325 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -39.95 87.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.343 -0.848 . . . . 0.0 111.122 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.415 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -70.01 -38.75 76.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.052 -1.03 . . . . 0.0 109.778 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.05 83.23 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.916 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -64.12 -39.97 95.19 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -39.81 86.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 CA-C-O 121.587 0.708 . . . . 0.0 109.167 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.15 93.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.706 -0.621 . . . . 0.0 111.647 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.712 -1.243 . . . . 0.0 108.24 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -65.65 -39.97 86.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.828 -0.545 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.81 -44.1 97.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.882 -1.136 . . . . 0.0 111.706 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -39.98 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.94 -1.1 . . . . 0.0 110.647 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.462 ' O ' ' OG ' ' B' ' 18' ' ' SER . 64.6 t80 -60.01 -39.97 87.62 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.746 -1.221 . . . . 0.0 109.39 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -77.67 -22.08 51.12 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.815 -1.178 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -55.04 -45.02 75.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.168 -0.957 . . . . 0.0 110.574 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 26.2 p90 -116.16 -26.11 7.35 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.14 -0.975 . . . . 0.0 111.609 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 83.0 p -59.99 -39.9 87.29 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.667 -1.271 . . . . 0.0 109.332 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.9 -3.4 50.97 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.356 -1.497 . . . . 0.0 109.356 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 34.5 ttt-85 -60.03 -43.99 94.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.363 -1.081 . . . . 0.0 109.504 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -114.31 160.0 19.57 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.594 0.711 . . . . 0.0 110.055 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -14.74 0.06 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 98.1 m-20 -79.98 50.75 1.24 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.738 -1.448 . . . . 0.0 109.676 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.69 -40.03 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.21 -13.83 56.5 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.164 -0.96 . . . . 0.0 111.065 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' B' ' 23' ' ' ASP . 52.5 pttt -138.87 159.69 41.53 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.092 -1.005 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tp -113.46 120.59 41.55 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.334 -0.854 . . . . 0.0 109.007 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.5 tttt -94.89 147.77 23.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.22 . . . . 0.0 108.661 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' B' ' 28' ' ' LYS . 24.0 pttm -41.44 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.69 0.757 . . . . 0.0 109.246 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -71.85 -49.34 39.16 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.467 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -66.89 -37.12 83.78 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.126 -0.984 . . . . 0.0 108.915 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -39.09 84.52 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.97 -40.03 87.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.409 -0.807 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 37.2 tp10 -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.453 -0.779 . . . . 0.0 110.222 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.0 -49.52 77.36 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 122.281 1.039 . . . . 0.0 108.577 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -77.57 -47.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 O-C-N 121.371 -0.831 . . . . 0.0 112.848 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.71 -41.27 27.09 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.9 -1.125 . . . . 0.0 113.23 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 34' ' ' GLU . 1.7 t-20 -96.97 -34.08 11.34 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 10.7 tp10 -88.25 -14.7 37.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.285 -1.51 . . . . 0.0 110.494 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mt -143.34 51.19 1.38 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.932 -1.105 . . . . 0.0 109.74 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -60.52 -48.34 82.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.087 -1.008 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.75 -37.06 10.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.924 -1.11 . . . . 0.0 110.915 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.04 -38.59 83.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -0.97 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -125.07 157.83 35.28 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.34 -0.85 . . . . 0.0 109.063 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -54.15 106.95 0.22 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.264 -0.898 . . . . 0.0 109.089 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.53 144.82 46.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.401 -0.812 . . . . 0.0 109.625 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -91.37 137.86 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -104.96 -19.37 13.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.32 -0.862 . . . . 0.0 109.831 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -140.03 140.73 36.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.287 -0.883 . . . . 0.0 109.84 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' NE2' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -64.31 -20.72 66.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 110.777 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.97 -37.57 79.99 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 109.304 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.05 -40.02 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.23 -35.73 75.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 O-C-N 121.957 -0.464 . . . . 0.0 109.753 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -65.05 -38.06 89.62 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.053 0.93 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.628 ' HZ3' ' CD2' ' Y' ' 105' ' ' HIS . 33.0 ttpt -68.57 -40.03 80.75 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -66.18 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -69.6 -32.66 71.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.175 -1.578 . . . . 0.0 106.809 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 61.4 m -82.19 -44.23 16.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.759 -0.588 . . . . 0.0 111.707 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.416 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 53.2 mt -88.72 -18.9 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.832 -1.168 . . . . 0.0 110.792 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.7 t0 -80.86 62.84 5.03 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 88.7 mt-10 -58.59 -39.32 80.04 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.41 -16.38 61.33 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.54 87.52 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.0 p-10 -108.38 7.02 26.88 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.093 -1.24 . . . . 0.0 110.218 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.495 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.51 9.97 86.35 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.7 mt-10 -145.66 128.35 16.2 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 135.57 39.14 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' B' ' 70' ' ' PHE . 78.9 m-20 -69.07 160.8 30.34 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' B' ' 69' ' ' ASP . 2.7 t80 -47.82 -39.86 19.56 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.0 -46.47 89.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.637 -0.664 . . . . 0.0 110.904 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 38.0 mt-10 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.025 -1.047 . . . . 0.0 110.54 -177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.72 -34.12 76.24 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.6 mmm -59.97 -35.77 75.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 110.262 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.09 69.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.76 -1.212 . . . . 0.0 110.544 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.718 -1.239 . . . . 0.0 109.372 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -34.71 62.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 CA-C-O 121.429 0.633 . . . . 0.0 109.454 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.42 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 54.1 m -60.0 -40.02 87.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.399 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.9 mtm -78.97 -44.46 22.4 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.993 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.02 -38.7 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.203 -1.399 . . . . 0.0 109.497 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -36.97 62.85 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.53 92.98 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.0 -36.71 77.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.59 -0.694 . . . . 0.0 109.857 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -59.94 -40.32 88.54 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.034 -1.041 . . . . 0.0 109.15 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.392 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.27 -38.23 56.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.762 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.244 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.374 0.607 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.588 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.0 p-80 -57.25 -33.1 67.25 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.917 -1.115 . . . . 0.0 108.373 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.588 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 17.1 ttpp -59.95 -32.83 71.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.38 -39.97 81.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.885 . . . . 0.0 108.707 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.72 -24.54 44.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.403 -0.811 . . . . 0.0 109.871 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.447 ' O ' ' OG1' ' X' ' 112' ' ' THR . 15.2 mmt -57.28 -24.76 56.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.647 -1.283 . . . . 0.0 110.465 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 1.2 p90 -48.87 -33.78 11.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.529 -1.357 . . . . 0.0 109.284 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.434 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.3 OUTLIER -70.59 -40.1 73.44 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.749 -1.219 . . . . 0.0 109.002 176.398 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' X' ' 109' ' ' MET . 82.4 p -60.82 -32.37 71.75 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.341 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.891 . . . . 0.0 . 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.449 0.642 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.628 ' CD2' ' HZ3' ' B' ' 55' ' ' LYS . 4.9 p-80 -57.15 -33.08 67.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.953 -1.092 . . . . 0.0 108.361 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.586 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 17.2 ttpp -60.0 -32.86 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.36 -40.0 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 108.725 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 55.5 tp -78.74 -24.47 44.79 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.367 -0.833 . . . . 0.0 109.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 14.8 mmt -57.34 -24.73 56.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.663 -1.273 . . . . 0.0 110.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.437 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 1.2 p90 -48.85 -33.75 11.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.535 -1.353 . . . . 0.0 109.241 -178.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.3 OUTLIER -70.46 -40.8 73.49 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.7 -1.25 . . . . 0.0 109.0 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -60.06 -32.03 70.55 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.512 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 77.8 mm-40 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 0.0 . 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.45 ' O ' ' OG ' ' A' ' 1' ' ' SER . 96.3 mtp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 0' ' ' MET . 58.0 p 53.54 36.97 24.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 109.595 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.94 -1.15 21.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.551 -0.718 . . . . 0.0 109.289 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -19.52 0.31 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.462 -0.773 . . . . 0.0 109.999 -178.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' NE2' ' B' ' 42' ' ' HIS . 99.7 mt-10 -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.24 -1.538 . . . . 0.0 109.014 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -77.35 -38.13 50.84 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.696 -0.628 . . . . 0.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.27 -39.97 71.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.206 -0.934 . . . . 0.0 112.212 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 2.1 mtt -70.04 -39.93 75.44 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.938 -1.101 . . . . 0.0 109.217 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.18 -32.38 47.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 121.568 -0.708 . . . . 0.0 110.207 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.51 -36.08 63.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.774 . . . . 0.0 110.856 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -43.8 95.2 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 11' ' ' ILE . 79.5 mt -69.26 -38.13 77.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.48 -44.03 96.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.021 -1.049 . . . . 0.0 112.244 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -39.88 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.831 -1.168 . . . . 0.0 109.693 -178.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 15.8 t80 -58.69 -39.97 82.28 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.2 -37.03 79.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 111.078 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -59.95 -40.65 89.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.735 -1.228 . . . . 0.0 110.876 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 44.6 m-85 -86.67 -34.32 19.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.697 -1.252 . . . . 0.0 111.924 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 4.9 t -60.05 -40.03 88.02 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.93 -1.106 . . . . 0.0 109.727 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.37 -6.97 77.33 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -60.01 -46.72 88.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.129 -1.218 . . . . 0.0 109.635 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -115.0 159.63 20.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.65 0.738 . . . . 0.0 110.057 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.36 -18.84 0.6 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 26' ' ' LYS . 5.3 m-20 -79.45 59.78 3.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.829 -1.395 . . . . 0.0 110.053 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' O ' ' OG ' ' A' ' 18' ' ' SER . 33.4 ttmt -62.44 -39.95 95.03 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.955 -1.091 . . . . 0.0 109.345 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.72 -17.97 52.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 111.467 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.5 mttt -140.72 156.54 46.17 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.717 -1.239 . . . . 0.0 111.144 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.01 132.1 53.88 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.4 mtpm? -102.98 150.44 23.54 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' LYS . 19.5 pttp -42.37 -26.55 0.11 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.873 0.844 . . . . 0.0 109.063 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -75.88 -49.91 16.56 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.577 0.703 . . . . 0.0 109.4 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 56.1 tt0 -68.21 -32.99 73.6 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.03 -38.79 83.77 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HZ3' ' CB ' ' A' ' 37' ' ' ASN . 9.2 tptp -57.72 -40.0 78.55 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.0 -40.05 83.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.861 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.7 tm? -59.97 -50.01 75.44 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.569 -1.332 . . . . 0.0 108.713 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -74.97 -46.78 39.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.714 -0.616 . . . . 0.0 112.312 -177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' CB ' ' HZ3' ' A' ' 33' ' ' LYS . 13.4 t-20 -66.81 -40.04 87.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.04 -1.038 . . . . 0.0 112.513 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.3 t-20 -99.25 -33.73 10.63 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 39' ' ' GLU . 2.5 tm-20 -82.55 -19.19 39.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.224 -1.547 . . . . 0.0 110.005 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.6 mt -115.48 33.46 5.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.21 -0.931 . . . . 0.0 109.282 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -59.95 -40.11 87.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.444 ' NE2' ' OE2' ' B' ' 4' ' ' GLU . 54.8 p-80 -117.49 -11.36 10.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 8.8 t80 -64.33 -43.94 93.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.817 -1.177 . . . . 0.0 109.197 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.9 pp -160.38 176.59 11.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.821 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -53.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 12.5 pt-20 -61.1 -175.9 0.05 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 109.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mm -93.05 146.96 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 110.049 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 30.1 mmtp -113.73 -23.6 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.702 -0.624 . . . . 0.0 109.633 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -131.88 154.71 48.93 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.99 -25.74 63.75 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.4 -40.02 89.4 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.171 -0.956 . . . . 0.0 110.62 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.37 -39.88 82.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 120.975 -1.078 . . . . 0.0 108.697 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.63 -39.96 86.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.529 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.25 -39.95 92.23 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.64 -0.663 . . . . 0.0 109.627 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.59 -40.02 95.88 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.07 -31.34 53.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.3 mmm -69.96 -28.32 65.45 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.706 -0.798 . . . . 0.0 108.869 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -39.92 87.31 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -80.39 -40.05 27.24 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.34 -18.05 29.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.849 -1.157 . . . . 0.0 110.5 -178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -79.46 60.87 3.33 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.99 -34.87 73.91 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -77.31 -10.03 59.19 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.32 28.71 72.73 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.78 5.42 28.59 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.104 -1.233 . . . . 0.0 110.263 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 77.3 9.07 87.02 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -139.49 136.06 34.17 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 16.9 p -103.2 128.09 50.28 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 43.7 t0 -74.33 165.95 24.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.183 -0.948 . . . . 0.0 110.243 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -53.09 -37.1 61.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.19 -0.944 . . . . 0.0 108.898 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.29 -37.88 81.1 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.187 -0.946 . . . . 0.0 109.578 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.96 -40.18 87.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.936 -1.103 . . . . 0.0 109.639 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.94 -33.86 77.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 109.611 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -39.65 85.92 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.877 -0.514 . . . . 0.0 110.398 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.01 68.76 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.674 -1.211 . . . . 0.0 111.083 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -70.24 -20.78 63.05 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.139 . . . . 0.0 110.534 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -31.65 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.908 -1.12 . . . . 0.0 109.562 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 p -69.91 -40.38 75.61 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.596 -1.242 . . . . 0.0 109.701 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.06 -41.55 70.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.07 -1.019 . . . . 0.0 110.65 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.35 -39.43 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.455 -1.403 . . . . 0.0 109.092 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -37.02 78.37 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 m -52.37 -39.17 60.45 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 109.366 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.02 -38.8 83.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.329 -0.857 . . . . 0.0 109.961 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -57.43 -39.88 77.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 0.0 109.201 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.681 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.11 -24.25 21.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.015 -1.053 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.5 2.049 0 O-C-N 120.937 -1.102 . . . . 0.0 108.448 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.445 ' O ' ' OG ' ' B' ' 1' ' ' SER . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' B' ' 0' ' ' MET . 54.8 p 53.6 36.99 24.91 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 109.499 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.405 ' HG3' ' H2 ' ' B' ' 0' ' ' MET . 99.5 mt-10 -74.88 -1.42 22.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.535 -0.728 . . . . 0.0 109.168 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.12 -19.66 0.29 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 110.071 -178.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' NE2' ' A' ' 42' ' ' HIS . 98.9 mt-10 -66.8 -40.45 88.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.177 -1.577 . . . . 0.0 109.133 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -77.14 -38.29 52.29 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.763 -0.585 . . . . 0.0 110.906 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -40.02 71.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.197 -0.94 . . . . 0.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.547 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 2.0 mtt -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.834 -1.166 . . . . 0.0 109.229 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -71.25 -32.26 46.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.538 -0.726 . . . . 0.0 110.103 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.23 -36.94 63.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.795 . . . . 0.0 110.717 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -43.19 95.35 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.57 -38.43 76.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.859 -0.526 . . . . 0.0 110.215 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.17 -43.85 95.48 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.077 -1.014 . . . . 0.0 112.366 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -39.9 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.766 -1.209 . . . . 0.0 109.565 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 15.4 t80 -58.44 -40.02 81.41 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 119.301 -0.96 . . . . 0.0 108.718 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.07 -36.83 78.21 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.203 -0.936 . . . . 0.0 111.193 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -59.98 -40.53 89.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.761 -1.212 . . . . 0.0 110.995 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.454 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 44.3 m-85 -86.87 -34.66 19.37 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.76 -1.212 . . . . 0.0 111.881 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 4.9 t -59.9 -40.02 87.39 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.977 -1.077 . . . . 0.0 109.76 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -6.74 76.44 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -60.12 -46.78 88.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.26 . . . . 0.0 109.559 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -115.05 159.4 20.86 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.708 0.766 . . . . 0.0 110.068 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.11 -18.73 0.49 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 26' ' ' LYS . 5.5 m-20 -79.57 59.37 2.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.859 -1.377 . . . . 0.0 110.053 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.478 ' O ' ' OG ' ' B' ' 18' ' ' SER . 33.5 ttmt -62.08 -40.01 94.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.99 -1.069 . . . . 0.0 109.402 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -79.85 -17.88 52.13 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 111.409 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 23' ' ' ASP . 98.9 mttt -140.5 155.95 46.49 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.78 -1.2 . . . . 0.0 111.144 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -107.94 132.13 53.81 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.5 mtpm? -103.09 150.49 23.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -42.44 -26.7 0.12 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.913 0.863 . . . . 0.0 109.062 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.1 t -75.71 -49.98 16.69 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.589 0.709 . . . . 0.0 109.343 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 57.2 tt0 -68.36 -32.79 73.14 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.03 -38.52 82.96 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.11 -39.8 79.57 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.573 -0.704 . . . . 0.0 109.182 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.34 -39.99 81.73 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.908 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.01 -50.09 75.11 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.508 -1.37 . . . . 0.0 108.446 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -74.77 -46.59 40.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.594 -0.691 . . . . 0.0 112.504 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.01 -40.04 87.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.969 -1.082 . . . . 0.0 112.518 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 1.3 t-20 -98.87 -34.4 10.49 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.15 -19.24 40.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.171 -1.581 . . . . 0.0 110.194 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -115.33 33.54 5.39 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.209 -0.932 . . . . 0.0 109.132 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -39.95 87.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 109.978 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.422 ' NE2' ' OE2' ' A' ' 4' ' ' GLU . 53.9 p-80 -117.54 -11.42 10.48 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.379 -0.826 . . . . 0.0 110.273 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 8.9 t80 -64.27 -43.88 93.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.882 -1.136 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' B' ' 46' ' ' GLU . 2.0 pp -160.78 176.05 11.91 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.251 -0.906 . . . . 0.0 109.751 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.6 tp10 -52.75 96.56 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 44' ' ' LEU . 12.1 pt-20 -61.15 -176.34 0.06 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.501 -0.75 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -92.69 147.09 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.325 -0.86 . . . . 0.0 110.001 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.492 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 30.4 mmtp -113.86 -23.93 9.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.665 -0.647 . . . . 0.0 109.597 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -131.76 154.88 48.61 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.32 -0.862 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.98 -25.91 63.84 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.25 -40.0 88.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.34 -39.91 82.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.02 -1.05 . . . . 0.0 108.675 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.65 -40.07 87.06 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.625 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -61.22 -39.78 91.54 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.557 -0.714 . . . . 0.0 109.551 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.71 -40.08 95.88 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.4 mmm -69.95 -28.39 65.53 Favored 'General case' 0 C--O 1.2 -1.544 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -59.91 -39.99 87.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.5 m -80.18 -40.23 27.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.784 -0.573 . . . . 0.0 111.012 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.95 -18.38 29.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.919 -1.113 . . . . 0.0 110.585 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -79.26 60.84 3.2 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -59.99 -34.94 74.0 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -77.36 -10.26 59.34 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.54 28.7 72.86 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.6 5.27 28.86 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.142 -1.211 . . . . 0.0 110.184 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.506 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 77.51 9.02 87.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -139.52 135.79 33.83 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 16.1 p -102.94 128.26 49.82 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 40.3 t0 -74.3 166.29 23.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -53.49 -37.17 62.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.0 108.906 -179.185 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.09 -37.76 81.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.128 -0.983 . . . . 0.0 109.568 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.48 -40.04 85.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.879 -1.138 . . . . 0.0 109.559 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.5 -34.25 77.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.419 -0.801 . . . . 0.0 109.608 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.96 -39.53 85.9 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.238 0.542 . . . . 0.0 110.412 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.54 68.23 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.695 -1.253 . . . . 0.0 111.293 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -70.94 -20.38 62.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.939 -1.1 . . . . 0.0 110.487 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -31.67 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.005 -1.06 . . . . 0.0 109.569 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.495 ' H ' ' HG ' ' B' ' 78' ' ' SER . 2.9 p -69.77 -40.55 76.01 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.604 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -70.99 -41.69 70.63 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.683 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.23 -39.54 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.498 -1.376 . . . . 0.0 108.985 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -37.06 78.44 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.6 m -52.36 -39.33 60.64 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.432 ' HB2' ' HZ1' ' Y' ' 111' ' ' LYS . . . -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.99 -38.33 82.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.345 -0.847 . . . . 0.0 109.977 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -57.71 -39.83 78.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.221 -0.924 . . . . 0.0 109.198 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -39.86 87.28 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.261 -0.9 . . . . 0.0 109.77 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.17 -24.27 21.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.123 -0.986 . . . . 0.0 110.594 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.499 2.008 0 O-C-N 120.964 -1.085 . . . . 0.0 108.434 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.477 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 43.0 t-80 -59.86 -40.0 87.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.888 -1.132 . . . . 0.0 108.604 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.83 -30.43 68.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.219 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.01 -39.85 87.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.922 -1.111 . . . . 0.0 108.281 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 tp -69.69 -31.16 69.03 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.631 -0.668 . . . . 0.0 109.547 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.38 55.88 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.769 -1.207 . . . . 0.0 109.794 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.534 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -39.86 -45.94 1.9 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.742 . . . . 0.0 110.494 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.16 -28.84 42.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.975 -1.078 . . . . 0.0 108.951 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.461 ' N ' ' O ' ' X' ' 109' ' ' MET . 94.3 m -59.96 -40.27 88.49 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.406 -0.809 . . . . 0.0 . 178.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.492 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 44.3 t-80 -59.94 -40.01 87.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.92 -1.112 . . . . 0.0 108.577 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.98 -30.39 69.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.116 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.93 -39.93 87.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.861 -1.149 . . . . 0.0 108.25 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.46 -31.12 69.22 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.591 -0.693 . . . . 0.0 109.607 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.35 55.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.718 -1.239 . . . . 0.0 109.802 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 3.9 p90 -39.78 -46.14 1.88 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.456 -0.777 . . . . 0.0 110.462 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.08 -28.93 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.963 -1.086 . . . . 0.0 109.048 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.456 ' N ' ' O ' ' Y' ' 109' ' ' MET . 94.2 m -60.06 -39.9 87.6 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 . 178.837 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.9 mpt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 51.89 18.58 0.81 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.506 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.97 -5.24 42.83 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.489 -0.757 . . . . 0.0 109.472 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -42.52 -25.46 0.08 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.745 -0.597 . . . . 0.0 110.37 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLU . 86.0 tt0 -68.76 -39.96 79.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 109.582 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.3 mppt? -75.54 -35.15 60.74 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.514 -0.741 . . . . 0.0 109.841 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.32 71.89 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.39 -0.819 . . . . 0.0 111.825 -177.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -66.28 -40.04 89.8 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.901 -1.124 . . . . 0.0 109.738 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.72 -35.64 73.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.831 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.92 75.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.633 -0.667 . . . . 0.0 111.428 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.92 -40.06 87.56 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.766 -1.209 . . . . 0.0 107.79 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -69.13 -39.88 79.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.868 -0.52 . . . . 0.0 111.07 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.54 -41.7 99.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.67 -1.269 . . . . 0.0 111.742 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -39.92 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.897 -1.127 . . . . 0.0 110.185 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 12.0 t80 -59.25 -36.28 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.933 -1.105 . . . . 0.0 108.611 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -70.13 -28.39 65.34 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.183 -0.948 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.07 -42.01 93.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.48 -1.387 . . . . 0.0 110.14 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.89 -39.48 10.2 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.971 -1.081 . . . . 0.0 111.96 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.493 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . 21.2 p -61.0 -40.82 95.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.125 -0.984 . . . . 0.0 110.504 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -80.87 -11.78 83.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -60.01 -48.04 83.34 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -1.207 . . . . 0.0 109.063 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -93.19 -4.07 52.72 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.34 -8.16 79.5 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.5 m-20 -80.36 67.79 6.31 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.579 -1.542 . . . . 0.0 108.915 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -69.99 -33.43 72.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.957 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -77.28 -29.14 53.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.159 -0.963 . . . . 0.0 110.699 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.9 pttt -136.95 157.77 45.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.148 -0.97 . . . . 0.0 109.497 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -120.01 129.59 54.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 30' ' ' SER . 91.0 mttt -92.84 152.75 19.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.695 -1.253 . . . . 0.0 110.186 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -49.55 -22.58 1.3 Allowed 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 28' ' ' LYS . 26.4 t -76.05 -53.7 7.95 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.511 0.672 . . . . 0.0 109.337 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.99 -33.97 76.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.26 -41.78 97.5 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.885 -0.509 . . . . 0.0 110.192 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.08 -40.03 95.37 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.988 -1.07 . . . . 0.0 110.251 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.16 -38.14 89.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.143 -0.973 . . . . 0.0 109.467 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.4 tt -65.69 -48.36 72.29 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.05 -1.031 . . . . 0.0 108.903 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.35 -46.37 49.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.438 -0.788 . . . . 0.0 111.056 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 21.6 t-20 -68.75 -39.69 80.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.928 -1.108 . . . . 0.0 112.368 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.655 ' N ' HD21 ' A' ' 38' ' ' ASN . 0.6 OUTLIER -96.91 -35.57 10.85 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.216 -0.927 . . . . 0.0 113.156 -176.643 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.23 -10.05 59.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.114 -1.616 . . . . 0.0 109.866 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -117.6 54.79 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.255 -0.903 . . . . 0.0 108.61 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -60.01 -42.44 94.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.11 -0.994 . . . . 0.0 110.498 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -131.76 1.87 4.03 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.222 -0.924 . . . . 0.0 109.968 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -50.32 73.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.168 -0.958 . . . . 0.0 109.396 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.25 -161.5 0.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.064 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.1 tt0 -52.3 94.85 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.752 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.35 152.98 39.84 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.414 HD11 HG23 ' A' ' 47' ' ' ILE . 36.5 mm -82.22 139.39 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.778 -1.201 . . . . 0.0 109.755 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -117.75 -13.66 10.16 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.497 -0.752 . . . . 0.0 109.149 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.75 150.78 46.5 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.25 -0.906 . . . . 0.0 110.762 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -68.29 -26.46 65.66 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.04 -39.93 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.568 -0.707 . . . . 0.0 111.587 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -39.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.754 -1.216 . . . . 0.0 109.012 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.2 t -64.4 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.764 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -62.05 -39.86 93.78 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.577 -0.702 . . . . 0.0 109.944 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.13 -40.0 93.83 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.17 -33.53 61.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.5 mmm -69.96 -30.03 67.3 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.175 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.44 -35.48 67.9 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -80.59 -46.98 14.82 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.713 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 30.6 mt -88.16 -13.99 39.81 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.826 -1.171 . . . . 0.0 110.605 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.6 t0 -79.85 60.32 3.42 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 62.0 mt-10 -59.95 -40.07 87.75 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.871 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -80.49 -5.51 56.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.299 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.15 33.68 85.98 Favored Glycine 0 N--CA 1.497 2.705 0 C-N-CA 120.124 -1.036 . . . . 0.0 110.963 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 47.9 p-10 -106.42 1.24 25.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.006 -1.29 . . . . 0.0 110.103 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 4.19 89.6 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.9 mt-10 -135.17 133.01 38.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.88 123.32 38.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.901 -1.124 . . . . 0.0 108.834 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.33 163.1 25.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 111.213 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t80 -41.26 -43.01 2.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -67.23 -43.72 81.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.417 -0.802 . . . . 0.0 110.082 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 46.8 mt-10 -63.21 -40.17 96.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.925 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.62 -35.78 75.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.789 -1.195 . . . . 0.0 109.164 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.0 mmm -59.94 -37.51 79.72 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.584 -0.698 . . . . 0.0 110.43 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.456 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.01 -33.49 73.74 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.745 -1.222 . . . . 0.0 110.673 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.919 -1.113 . . . . 0.0 110.379 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 121.198 0.523 . . . . 0.0 109.972 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 6.2 p -65.81 -40.05 91.49 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.435 -0.791 . . . . 0.0 110.039 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.0 mtp -70.05 -42.6 72.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.901 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.96 -38.6 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.269 -0.894 . . . . 0.0 109.31 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' CYS . 94.4 m -59.98 -40.03 87.72 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -38.5 33.53 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.01 89.66 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' THR . 61.8 m -61.84 -30.78 71.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.472 -0.767 . . . . 0.0 109.628 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.443 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 53.8 t-80 -59.9 -39.94 87.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.947 -1.096 . . . . 0.0 108.462 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -68.75 -39.91 80.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.857 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -70.09 -43.0 71.98 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.776 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.49 ' N ' ' SD ' ' B' ' 0' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t 51.78 18.59 0.78 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -75.03 -5.25 43.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 109.585 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -42.44 -25.69 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.728 -0.607 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 2' ' ' GLU . 86.0 tt0 -68.78 -39.85 79.98 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.939 -1.1 . . . . 0.0 109.533 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -75.36 -35.5 61.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.48 -0.763 . . . . 0.0 109.904 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.25 71.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 111.885 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.4 mtt -66.15 -40.05 90.27 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.966 -1.084 . . . . 0.0 109.684 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.72 -35.57 73.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.663 -0.648 . . . . 0.0 109.723 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -37.1 75.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.615 -0.678 . . . . 0.0 111.438 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.94 -40.04 87.6 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.787 -1.196 . . . . 0.0 107.815 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.403 HG23 HD11 ' B' ' 11' ' ' ILE . 82.7 mt -69.01 -40.01 80.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.911 -0.493 . . . . 0.0 111.129 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.62 -41.55 99.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.61 -1.306 . . . . 0.0 111.765 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -40.03 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.932 -1.105 . . . . 0.0 110.159 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.582 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 13.0 t80 -59.11 -36.45 75.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.89 -1.131 . . . . 0.0 108.55 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -70.11 -28.43 65.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.182 -0.949 . . . . 0.0 111.062 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -60.04 -41.89 93.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.511 -1.368 . . . . 0.0 110.168 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.03 -39.22 10.27 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.938 -1.101 . . . . 0.0 111.967 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 14' ' ' PHE . 20.2 p -61.33 -40.47 94.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.977 . . . . 0.0 110.398 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -81.11 -11.78 83.23 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -60.03 -47.93 83.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -1.145 . . . . 0.0 109.094 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -93.57 -3.79 52.09 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.49 -8.69 78.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.7 m-20 -80.26 67.86 6.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.566 -1.55 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.01 -33.39 71.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -77.32 -29.39 53.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 51.9 pttt -136.72 157.89 45.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.171 -0.956 . . . . 0.0 109.454 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 tp -119.99 129.92 54.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 30' ' ' SER . 89.2 mttt -93.27 152.8 18.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.728 -1.233 . . . . 0.0 110.098 -178.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -49.54 -22.46 1.26 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.422 ' N ' ' C ' ' B' ' 28' ' ' LYS . 26.8 t -76.22 -53.3 8.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.318 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.31 -41.85 97.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.866 -0.521 . . . . 0.0 110.166 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.07 -40.04 95.4 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.065 -1.022 . . . . 0.0 110.256 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.01 -38.46 91.15 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.397 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.425 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.6 tt -65.38 -48.56 72.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.058 -1.026 . . . . 0.0 108.925 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.2 -46.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.46 -0.775 . . . . 0.0 111.213 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 21.7 t-20 -68.94 -39.61 79.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.892 -1.13 . . . . 0.0 112.285 -177.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.664 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -96.95 -35.74 10.77 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.161 -0.962 . . . . 0.0 113.194 -176.55 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.04 -10.01 59.75 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.133 -1.604 . . . . 0.0 109.849 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.5 mt -117.75 54.73 0.89 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.574 ' HG ' ' HD1' ' B' ' 42' ' ' HIS . 83.5 p -59.96 -42.53 94.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.55 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.574 ' HD1' ' HG ' ' B' ' 41' ' ' SER . 71.3 m80 -131.81 2.05 4.02 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.279 -0.888 . . . . 0.0 110.011 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -50.38 72.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.436 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.4 -161.43 0.8 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.771 -1.206 . . . . 0.0 111.092 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' Y' ' 105' ' ' HIS . 86.0 tt0 -52.28 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.65 0.738 . . . . 0.0 110.681 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.43 153.19 39.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.438 HD13 HG22 ' B' ' 47' ' ' ILE . 35.7 mm -82.72 139.02 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.84 -1.163 . . . . 0.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -117.18 -13.43 10.5 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.568 -0.707 . . . . 0.0 109.241 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.79 150.49 46.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.218 -0.926 . . . . 0.0 110.734 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -67.99 -26.57 65.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -60.14 -39.92 88.01 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.569 -0.707 . . . . 0.0 111.659 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.4 -39.7 85.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.772 -1.205 . . . . 0.0 108.966 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.27 -39.99 87.47 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.785 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.04 -40.02 94.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.526 -0.734 . . . . 0.0 109.962 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.18 -33.35 60.42 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.6 mmm -69.97 -30.16 67.44 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.079 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.33 -35.31 67.46 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -80.94 -46.88 14.48 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.591 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.431 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 29.8 mt -88.01 -14.2 39.66 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.881 -1.137 . . . . 0.0 110.7 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.9 t0 -79.73 60.33 3.35 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 62.1 mt-10 -59.97 -40.02 87.64 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 -178.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -80.59 -5.41 56.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.134 -0.979 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.23 33.67 85.82 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.0 -1.095 . . . . 0.0 110.981 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 47.8 p-10 -106.5 1.33 25.38 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.943 -1.328 . . . . 0.0 110.12 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.0 4.28 89.6 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.9 mt-10 -135.19 133.28 38.92 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 123.38 38.64 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.911 -1.118 . . . . 0.0 108.779 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 70' ' ' PHE . 96.0 m-20 -69.36 163.28 25.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 111.211 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.582 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 6.2 t80 -41.4 -42.87 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.16 -43.94 81.01 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.434 -0.792 . . . . 0.0 110.18 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 46.9 mt-10 -63.16 -40.04 96.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.462 -0.774 . . . . 0.0 110.949 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.92 -35.66 74.73 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.838 -1.163 . . . . 0.0 109.147 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mmm -60.0 -37.62 80.24 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.272 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.456 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.83 -33.51 73.94 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.781 -1.199 . . . . 0.0 110.738 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.892 -1.13 . . . . 0.0 110.314 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -37.92 81.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-O 121.284 0.564 . . . . 0.0 109.934 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 8.5 p -65.84 -40.08 91.41 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 110.093 -178.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.4 mtp -70.16 -42.39 72.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.85 -38.53 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 84' ' ' CYS . 94.2 m -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -38.64 32.45 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.99 89.45 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' B' ' 81' ' ' THR . 61.2 m -61.8 -30.52 70.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.457 -0.777 . . . . 0.0 109.628 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.47 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 54.0 t-80 -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.939 -1.101 . . . . 0.0 108.451 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -68.75 -40.06 79.98 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 108.789 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.0 -42.85 72.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 108.747 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.745 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.498 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 77.6 t60 -58.24 -39.08 78.2 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -58.85 -25.39 63.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.94 -29.36 66.48 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.336 -0.852 . . . . 0.0 109.462 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -56.14 -24.48 41.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.256 -1.527 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.08 -45.0 7.86 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.12 -0.987 . . . . 0.0 109.493 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.569 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 24.2 pttt -61.62 -39.57 91.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 71.7 p -68.33 -27.59 66.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.385 -0.822 . . . . 0.0 109.128 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.452 -0.78 . . . . 0.0 . 179.177 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.45 ' N ' ' OE2' ' B' ' 45' ' ' GLU . 78.3 t60 -58.35 -38.92 78.19 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -58.98 -25.34 63.51 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.98 -29.5 66.62 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.406 -0.809 . . . . 0.0 109.317 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.09 -24.49 40.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.343 -1.473 . . . . 0.0 109.24 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.564 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.09 -44.66 7.68 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.044 -1.035 . . . . 0.0 109.467 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.564 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 24.9 pttt -62.05 -40.0 94.27 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 58.8 p -67.3 -27.88 67.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.828 . . . . 0.0 109.274 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.492 -0.755 . . . . 0.0 . 179.597 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.367 0.603 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.467 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.3 t 62.52 14.04 6.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 109.643 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.15 9.8 2.32 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 1' ' ' SER . 7.1 tt -59.98 -39.75 86.76 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.611 -0.68 . . . . 0.0 110.182 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -52.0 -40.01 60.33 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.806 -1.184 . . . . 0.0 110.388 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -69.73 -35.0 74.62 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.192 -0.943 . . . . 0.0 109.387 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.119 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.539 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 28.4 mmm -66.74 -40.01 88.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.71 -34.96 67.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.0 82.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.612 -0.68 . . . . 0.0 111.569 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.567 -1.333 . . . . 0.0 107.822 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.56 -39.67 84.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.854 -0.529 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -65.14 -42.16 94.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.639 -1.288 . . . . 0.0 111.977 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -41.36 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.777 -1.202 . . . . 0.0 110.048 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.553 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 63.8 t80 -59.14 -39.18 81.59 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.08 -35.6 79.14 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.547 -0.721 . . . . 0.0 111.198 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.84 -39.96 86.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.673 -1.267 . . . . 0.0 111.214 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.41 -26.21 18.13 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 120.498 -1.377 . . . . 0.0 111.713 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.553 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 66.8 m -60.02 -40.0 87.78 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.979 -1.076 . . . . 0.0 109.6 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.26 43.2 2.98 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.519 ' NE ' ' OE1' ' A' ' 34' ' ' GLU . 13.2 mmt180 -79.85 -70.04 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.068 -1.254 . . . . 0.0 110.442 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.23 -13.0 15.24 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.443 -0.786 . . . . 0.0 110.318 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.44 -11.67 2.48 Favored Glycine 0 N--CA 1.497 2.752 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.855 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 26' ' ' LYS . 11.0 m-20 -80.85 72.68 7.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.564 -1.551 . . . . 0.0 108.628 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -69.99 -45.76 66.64 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.513 0.673 . . . . 0.0 110.185 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.19 -1.8 58.23 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.763 . . . . 0.0 110.568 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' ASP . 3.7 ttmp? -139.45 148.34 42.61 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 108.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -119.7 125.5 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' SER . 64.8 tttm -92.99 149.16 21.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.032 -1.042 . . . . 0.0 109.351 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -46.01 -22.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' LYS . 84.3 p -75.58 -48.71 21.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.61 -35.26 79.76 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.03 -42.08 93.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.844 -0.535 . . . . 0.0 110.27 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.15 -39.95 92.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.057 -1.027 . . . . 0.0 109.935 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' OE1' ' NE ' ' A' ' 20' ' ' ARG . 98.9 mt-10 -67.18 -39.03 86.36 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.248 -0.907 . . . . 0.0 110.011 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.9 tt -63.97 -48.76 75.21 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.741 -1.225 . . . . 0.0 108.946 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -74.22 -44.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.469 -0.769 . . . . 0.0 111.209 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.548 ' C ' HD21 ' A' ' 38' ' ' ASN . 29.0 t-20 -69.03 -38.9 79.44 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.943 -1.098 . . . . 0.0 112.258 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.668 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.5 m120 -98.27 -35.44 10.34 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -176.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 6.8 tp10 -92.33 -20.71 20.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.454 -1.404 . . . . 0.0 110.664 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.76 28.15 8.6 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.567 -0.708 . . . . 0.0 109.457 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 44' ' ' LEU . 5.2 t -69.43 -60.74 2.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.04 -1.037 . . . . 0.0 111.067 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.47 -41.51 55.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 110.625 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.96 -26.29 64.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 0.0 111.091 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 41' ' ' SER . 4.6 tp -139.56 162.61 34.66 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.781 -1.199 . . . . 0.0 108.384 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 53.5 tp10 -60.7 115.05 3.35 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.983 -1.073 . . . . 0.0 109.494 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' CG ' ' ND2' ' A' ' 37' ' ' ASN . 88.1 tt0 -58.67 144.68 42.56 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.539 0.685 . . . . 0.0 109.781 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 mm -81.9 140.07 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -105.64 -17.92 14.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.89 . . . . 0.0 110.679 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -138.6 152.45 48.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.178 -0.951 . . . . 0.0 111.238 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.65 -20.47 63.59 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.18 -39.94 95.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.873 . . . . 0.0 110.616 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.81 -40.01 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.893 -1.129 . . . . 0.0 108.651 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.6 -35.17 72.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.076 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.42 -37.83 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 109.566 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.78 -40.03 88.01 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' X' ' 105' ' ' HIS . 24.9 t -62.68 -34.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.3 mmm -69.95 -29.44 66.58 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.349 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -56.98 -36.58 70.52 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -78.71 -47.48 16.81 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.348 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 34.6 mt -89.0 -11.76 43.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.958 -1.089 . . . . 0.0 111.033 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -79.28 59.41 2.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -57.91 -39.23 77.43 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -74.93 -9.98 59.05 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.28 -0.888 . . . . 0.0 108.794 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.28 30.08 76.44 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -106.51 2.61 26.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.194 -1.18 . . . . 0.0 110.356 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 3.88 89.53 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.81 131.53 35.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.37 130.13 46.43 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -74.39 170.19 16.14 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.025 -1.047 . . . . 0.0 109.724 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.437 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 3.2 t80 -49.76 -40.0 39.62 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.358 -0.839 . . . . 0.0 108.751 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -62.44 -48.36 80.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.53 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 31.8 mt-10 -60.01 -40.09 88.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.916 -1.115 . . . . 0.0 110.219 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.87 -33.79 76.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 109.321 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.466 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.6 OUTLIER -60.03 -38.53 82.99 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 109.828 -178.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.77 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.833 -1.167 . . . . 0.0 111.584 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.814 -1.179 . . . . 0.0 110.99 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -32.8 33.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.499 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 0.5 OUTLIER -67.6 -40.65 84.74 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.869 -1.144 . . . . 0.0 109.888 -179.196 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 ptm -72.0 -43.09 65.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.032 -1.043 . . . . 0.0 110.859 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.1 t -59.98 -38.12 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.524 -1.36 . . . . 0.0 109.394 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.519 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 89.0 m -57.29 -37.53 72.56 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -54.52 -40.48 68.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.44 88.25 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.3 -34.54 68.82 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.45 -0.781 . . . . 0.0 108.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -60.01 -40.43 89.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.062 -1.024 . . . . 0.0 109.025 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.05 -40.76 90.51 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.427 -0.909 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -72.04 -37.56 69.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.0 109.183 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.447 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 1.3 t 62.31 14.05 6.47 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.284 -0.885 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.29 10.22 2.14 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.0 -39.98 87.65 Favored 'General case' 0 C--O 1.199 -1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.222 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.05 -39.95 60.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.88 -1.138 . . . . 0.0 110.343 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -69.75 -34.79 74.29 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 121.334 -0.854 . . . . 0.0 109.31 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.37 75.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.555 -0.716 . . . . 0.0 112.152 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.519 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 26.1 mmm -66.56 -40.03 88.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.221 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.4 t -68.5 -34.88 67.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.638 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.667 -0.646 . . . . 0.0 111.601 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.596 -1.315 . . . . 0.0 107.758 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.44 -39.51 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.822 -0.549 . . . . 0.0 111.359 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.38 -42.25 92.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.69 -1.256 . . . . 0.0 112.028 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -41.7 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 120.819 -1.176 . . . . 0.0 110.042 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.556 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 62.8 t80 -59.02 -39.17 81.08 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.243 -0.91 . . . . 0.0 108.668 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.15 -35.61 79.3 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.529 -0.732 . . . . 0.0 111.124 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -59.82 -40.03 87.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 0.0 111.214 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.3 -26.25 18.21 Favored 'General case' 0 N--CA 1.51 2.575 0 O-C-N 120.566 -1.334 . . . . 0.0 111.612 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.556 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 73.6 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.996 -1.065 . . . . 0.0 109.592 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.43 43.36 3.03 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.522 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 13.2 mmt180 -79.93 -69.97 0.55 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.163 -1.198 . . . . 0.0 110.413 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -107.45 -12.68 15.26 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.439 -0.788 . . . . 0.0 110.339 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.18 -11.83 2.55 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.796 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' B' ' 26' ' ' LYS . 11.5 m-20 -80.68 72.57 7.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.558 -1.554 . . . . 0.0 108.704 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.01 -45.96 66.13 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.535 0.683 . . . . 0.0 110.177 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -88.93 -2.05 58.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.566 -0.709 . . . . 0.0 110.753 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 23' ' ' ASP . 3.8 ttmp? -139.34 148.64 43.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.065 -1.022 . . . . 0.0 108.91 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -119.86 125.67 49.08 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.603 ' HZ2' ' HZ3' ' B' ' 29' ' ' LYS . 64.8 tttm -93.51 149.12 21.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 0.0 109.3 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.603 ' HZ3' ' HZ2' ' B' ' 28' ' ' LYS . 8.4 ptpp? -45.83 -22.11 0.17 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 85.4 p -75.63 -48.92 20.11 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.597 ' N ' ' HG ' ' B' ' 30' ' ' SER . 98.2 mt-10 -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.09 -41.92 93.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.761 -0.587 . . . . 0.0 110.201 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.992 -1.068 . . . . 0.0 109.946 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.522 ' OE1' ' NE ' ' B' ' 20' ' ' ARG . 98.7 mt-10 -67.32 -38.54 85.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.311 -0.868 . . . . 0.0 110.063 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.413 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.7 tt -64.43 -48.49 75.13 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.782 -1.199 . . . . 0.0 109.0 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.39 -44.59 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.494 -0.754 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.547 ' C ' HD21 ' B' ' 38' ' ' ASN . 29.1 t-20 -68.72 -39.3 80.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 112.352 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.674 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.5 m120 -98.27 -35.14 10.44 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.212 -0.93 . . . . 0.0 113.464 -176.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.9 tp10 -92.3 -20.75 20.8 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.495 -1.378 . . . . 0.0 110.664 -177.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 35.5 mt -118.21 28.68 8.22 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.603 -0.686 . . . . 0.0 109.357 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' LEU . 5.6 t -69.52 -60.53 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -0.973 . . . . 0.0 110.985 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -75.75 -41.29 53.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.035 -1.041 . . . . 0.0 110.628 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 7.9 t80 -69.96 -26.44 64.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 111.05 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' SER . 4.8 tp -139.47 162.41 35.13 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.854 -1.154 . . . . 0.0 108.33 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.404 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 tp10 -60.87 115.32 3.6 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.951 -1.093 . . . . 0.0 109.5 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.468 ' CG ' ' ND2' ' B' ' 37' ' ' ASN . 88.5 tt0 -58.66 144.67 42.51 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -81.85 140.02 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -105.57 -17.8 14.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.237 -0.914 . . . . 0.0 110.707 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -138.95 152.45 47.71 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.107 -0.996 . . . . 0.0 111.27 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.47 -20.61 63.74 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.13 -40.08 95.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.202 -0.936 . . . . 0.0 110.543 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.72 -39.96 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.93 -1.107 . . . . 0.0 108.64 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.82 -34.91 70.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.034 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -66.04 -38.34 88.14 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.674 0.75 . . . . 0.0 109.612 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.93 -39.98 87.49 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.53 -34.77 66.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.1 mmm -70.07 -29.17 66.1 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.353 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.02 -36.61 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -78.82 -47.36 16.79 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 32.6 mt -88.91 -12.0 42.94 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.982 -1.074 . . . . 0.0 111.057 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -79.32 59.41 2.84 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -57.9 -38.93 76.71 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.09 -10.01 59.07 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.11 30.14 76.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 44.2 p-10 -106.57 2.79 26.37 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.137 -1.214 . . . . 0.0 110.373 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.503 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.95 3.73 89.43 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 29.9 mt-10 -135.8 131.49 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.35 130.1 46.41 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -74.3 170.0 16.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.03 -1.044 . . . . 0.0 109.7 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.427 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 3.2 t80 -49.74 -40.04 39.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.282 -0.886 . . . . 0.0 108.757 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -62.31 -48.41 79.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.306 -0.871 . . . . 0.0 110.534 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 31.9 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.956 -1.09 . . . . 0.0 110.205 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.89 -33.82 76.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.018 . . . . 0.0 109.354 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.427 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -60.0 -38.4 82.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.15 70.13 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.819 -1.175 . . . . 0.0 111.611 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -68.7 -29.56 68.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.845 -1.159 . . . . 0.0 111.104 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.64 -32.42 29.22 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.499 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 0.7 OUTLIER -67.79 -40.61 83.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.775 -1.203 . . . . 0.0 109.833 -179.281 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.2 ptm -71.9 -43.15 65.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.04 -1.038 . . . . 0.0 110.955 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 62.9 t -60.03 -37.94 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.533 -1.354 . . . . 0.0 109.391 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.539 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 91.1 m -57.38 -37.9 73.4 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -54.09 -40.38 67.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.3 85.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.127 -0.983 . . . . 0.0 108.656 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.52 -34.68 69.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.122 -0.986 . . . . 0.0 108.905 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.99 -41.29 91.72 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.86 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.9 -37.57 70.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.496 -0.753 . . . . 0.0 109.284 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.624 0.726 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 56' ' ' VAL . 42.4 t60 -60.09 -37.12 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.053 -1.029 . . . . 0.0 108.765 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.06 -28.19 67.57 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.426 -0.796 . . . . 0.0 108.863 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -39.97 87.33 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.402 HD12 ' HZ2' ' X' ' 111' ' ' LYS . 6.5 tp -72.87 -27.4 61.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.5 0.667 . . . . 0.0 110.081 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.491 ' O ' ' N ' ' X' ' 112' ' ' THR . 21.9 mmt -56.33 -24.51 44.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.367 -1.458 . . . . 0.0 109.811 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' X' ' 109' ' ' MET . 3.4 p90 -42.85 -39.5 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.997 -1.065 . . . . 0.0 109.93 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.402 ' HZ2' HD12 ' X' ' 108' ' ' LEU . 16.3 mtmt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.571 -1.33 . . . . 0.0 108.586 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.491 ' N ' ' O ' ' X' ' 109' ' ' MET . 69.8 p -61.64 -28.44 69.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.609 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.445 -0.785 . . . . 0.0 . 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 121.557 0.694 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -59.99 -37.2 78.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.125 -0.984 . . . . 0.0 108.717 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.96 -28.28 67.52 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.393 -0.817 . . . . 0.0 108.937 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.04 -39.93 87.65 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 6.7 tp -72.64 -27.68 62.28 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.484 ' O ' ' N ' ' Y' ' 112' ' ' THR . 23.0 mmt -56.29 -24.43 43.21 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.403 -1.436 . . . . 0.0 109.787 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' Y' ' 109' ' ' MET . 3.4 p90 -42.85 -39.55 2.56 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.99 -1.069 . . . . 0.0 109.922 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -70.02 -40.5 75.16 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.643 -1.285 . . . . 0.0 108.576 176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' Y' ' 109' ' ' MET . 81.8 p -60.12 -29.91 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.69 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 . 179.613 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 63.48 16.74 9.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.302 -0.874 . . . . 0.0 109.617 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.81 7.47 0.36 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.629 0.728 . . . . 0.0 109.248 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -60.08 -33.12 71.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.404 -0.81 . . . . 0.0 111.079 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -59.99 -39.89 87.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.705 -1.247 . . . . 0.0 111.043 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -31.61 58.03 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.734 -1.229 . . . . 0.0 109.807 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.64 73.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 111.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 mtt -65.69 -39.98 91.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.887 -1.133 . . . . 0.0 109.374 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.74 -35.19 74.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.83 79.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.558 -1.339 . . . . 0.0 108.08 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 11' ' ' ILE . 81.7 mt -68.73 -39.36 80.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.757 -0.589 . . . . 0.0 111.053 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.04 -41.11 95.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 111.907 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -73.96 -39.92 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.015 -1.053 . . . . 0.0 110.166 -178.809 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 81.0 t80 -60.01 -39.38 85.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 109.288 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -68.11 -26.47 65.82 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -59.97 -44.22 94.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.649 -1.282 . . . . 0.0 109.924 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -91.0 -39.93 11.95 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.021 -1.049 . . . . 0.0 112.09 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.545 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 52.6 m -60.95 -39.97 91.54 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.964 -1.085 . . . . 0.0 111.803 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.89 89.6 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -59.97 -49.99 75.5 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.745 -0.856 . . . . 0.0 110.572 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.91 1.29 42.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.336 -0.852 . . . . 0.0 110.454 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.0 61.95 Favored Glycine 0 N--CA 1.496 2.671 0 O-C-N 121.19 -0.944 . . . . 0.0 110.747 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 15.3 m-20 -82.25 73.76 9.27 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.429 -1.63 . . . . 0.0 107.915 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -68.58 -41.75 79.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.486 -0.759 . . . . 0.0 110.391 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -91.06 -1.38 57.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.333 -0.854 . . . . 0.0 110.438 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 ttmt -143.49 147.51 34.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 109.305 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.81 130.42 52.35 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.807 . . . . 0.0 108.881 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 30' ' ' SER . 50.8 mtmt -96.08 153.54 17.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.812 -1.18 . . . . 0.0 110.256 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -49.79 -23.09 1.66 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 48.7 m -73.19 -55.34 6.59 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.0 -41.1 91.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.883 -0.511 . . . . 0.0 109.943 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 86.7 tttt -60.12 -39.93 87.96 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.067 -1.021 . . . . 0.0 110.731 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.43 76.81 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 109.155 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLU . 6.0 tt -62.88 -51.16 68.05 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.076 -1.015 . . . . 0.0 109.405 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -70.37 -45.68 74.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 111.168 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 2.6 m-80 -60.83 -39.97 91.05 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.967 -1.083 . . . . 0.0 110.458 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.4 t-20 -100.95 -32.99 10.38 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' LEU . 66.9 tt0 -92.26 -14.63 28.61 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.183 -1.573 . . . . 0.0 109.99 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 mt -131.0 49.54 2.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.42 -0.8 . . . . 0.0 109.315 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 95.3 p -77.28 -68.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.19 -0.944 . . . . 0.0 109.866 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.424 ' N ' ' OG ' ' A' ' 41' ' ' SER . 17.9 p-80 -86.77 -11.12 51.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 109.185 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -63.53 -46.54 85.53 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.15 -168.02 2.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.747 -1.221 . . . . 0.0 110.5 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' ND1' ' X' ' 105' ' ' HIS . 86.7 tt0 -52.8 98.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.922 0.867 . . . . 0.0 110.391 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.85 153.69 32.41 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -77.6 142.26 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 109.894 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -10.68 12.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.656 -0.652 . . . . 0.0 110.002 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -159.96 157.1 28.26 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.915 -1.116 . . . . 0.0 109.925 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.561 -0.712 . . . . 0.0 110.782 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.0 -36.74 77.86 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 110.797 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' CG2' ' NE2' ' X' ' 105' ' ' HIS . 60.0 t -62.51 -40.01 86.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 120.942 -1.099 . . . . 0.0 108.8 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.95 -39.45 85.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.827 -0.545 . . . . 0.0 109.558 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.58 -38.05 89.63 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.498 -0.751 . . . . 0.0 109.972 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -66.39 -39.99 89.39 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 t -66.09 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.9 mmm -71.13 -26.87 63.2 Favored 'General case' 0 C--O 1.2 -1.529 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.647 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.95 -39.94 87.28 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 119.912 -1.742 . . . . 0.0 106.457 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -79.72 -43.27 22.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.34 0.59 . . . . 0.0 111.024 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.2 tp -87.45 -16.07 35.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 110.992 -177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.33 61.92 4.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.77 -37.72 74.16 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 80.8 m-20 -73.89 -14.28 61.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 29.97 76.1 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 25.4 p-10 -106.23 3.21 27.54 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -1.164 . . . . 0.0 110.217 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.71 1.45 89.25 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 87.6 mt-10 -138.43 141.23 39.53 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 12.9 p -108.61 128.82 55.17 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.062 -1.024 . . . . 0.0 109.506 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.45 160.27 32.7 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.354 0.597 . . . . 0.0 110.254 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.1 -39.96 30.23 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -67.36 -39.3 85.69 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.143 -0.973 . . . . 0.0 109.439 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' A' ' 63' ' ' ASP . 46.7 mt-10 -66.71 -42.9 85.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 109.962 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.435 -0.791 . . . . 0.0 110.056 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.57 ' C ' ' HG ' ' B' ' 78' ' ' SER . 75.2 mmm -59.98 -36.04 76.3 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.381 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.7 72.45 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.006 -1.059 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 40.2 t80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.965 -1.084 . . . . 0.0 108.846 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -38.16 80.15 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-O 121.412 0.625 . . . . 0.0 109.404 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -61.61 -39.94 93.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.187 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.96 -42.06 58.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.41 -39.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.188 -0.945 . . . . 0.0 109.608 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -39.8 87.11 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.6 m -52.42 -40.01 61.64 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' PHE . 35.3 m -59.85 -29.61 68.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.364 -0.835 . . . . 0.0 109.41 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -60.01 -40.42 89.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 41.8 mp0 -64.55 -37.03 86.14 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.141 -0.974 . . . . 0.0 110.043 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -93.25 -22.09 19.22 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.134 -0.979 . . . . 0.0 110.581 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 84' ' ' CYS . 39.7 t80 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 0.0 110.624 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.554 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 63.53 16.44 9.62 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -66.76 7.37 0.37 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.518 -0.739 . . . . 0.0 109.229 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.554 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.1 tp -59.99 -33.04 71.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 111.207 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.727 -1.233 . . . . 0.0 110.936 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -31.28 58.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.78 -1.2 . . . . 0.0 109.892 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 0.0 111.551 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.445 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 29.8 mtt -66.09 -40.02 90.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.83 -1.169 . . . . 0.0 109.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.39 -35.62 75.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.04 81.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.596 -0.69 . . . . 0.0 111.553 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.94 -40.05 87.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.535 -1.353 . . . . 0.0 108.125 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.91 -38.96 79.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.785 -0.572 . . . . 0.0 111.065 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.48 -40.64 93.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.71 -1.244 . . . . 0.0 111.912 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -39.94 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.018 -1.051 . . . . 0.0 110.126 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.553 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 80.8 t80 -59.96 -39.39 85.48 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -0.872 . . . . 0.0 109.259 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.21 -26.34 65.67 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.161 -0.962 . . . . 0.0 110.793 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -60.02 -44.2 94.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.594 -1.316 . . . . 0.0 109.953 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.01 -40.1 11.84 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.923 -1.111 . . . . 0.0 112.014 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.553 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 53.2 m -60.74 -40.06 91.02 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.96 -1.088 . . . . 0.0 111.814 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.44 -5.74 89.66 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -59.92 -50.03 75.37 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.763 -0.845 . . . . 0.0 110.601 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -99.95 1.18 42.45 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.392 -0.818 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -14.01 61.73 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 26' ' ' LYS . 15.2 m-20 -82.27 73.8 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.414 -1.639 . . . . 0.0 107.843 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -68.57 -41.57 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.449 -0.782 . . . . 0.0 110.391 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -91.29 -1.37 57.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.424 -0.797 . . . . 0.0 110.45 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.1 ttmt -143.48 147.47 34.58 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.094 -1.004 . . . . 0.0 109.206 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.9 tp -124.72 130.56 52.64 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.373 -0.83 . . . . 0.0 108.849 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 30' ' ' SER . 51.0 mtmt -96.18 153.46 17.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.766 -1.209 . . . . 0.0 110.367 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -49.74 -23.23 1.69 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 23.3 m -73.44 -54.94 7.07 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.83 -34.31 74.37 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.02 -41.17 91.61 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.94 -0.475 . . . . 0.0 109.849 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.545 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 86.8 tttt -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.12 -0.987 . . . . 0.0 110.708 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' B' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.44 76.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.525 -1.359 . . . . 0.0 109.08 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 39' ' ' GLU . 6.1 tt -62.96 -50.67 69.88 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.075 -1.015 . . . . 0.0 109.52 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.89 -45.63 72.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.365 -0.835 . . . . 0.0 110.974 -177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' B' ' 33' ' ' LYS . 2.6 m-80 -60.84 -40.08 91.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.925 -1.109 . . . . 0.0 110.464 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 1.4 t-20 -100.86 -33.02 10.39 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 35' ' ' LEU . 62.6 tt0 -92.16 -14.97 28.27 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.079 -1.638 . . . . 0.0 110.08 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 61.6 mt -130.69 49.37 2.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.491 -0.756 . . . . 0.0 109.278 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 87.6 p -77.1 -68.42 0.61 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.193 -0.942 . . . . 0.0 109.847 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.421 ' N ' ' OG ' ' B' ' 41' ' ' SER . 17.6 p-80 -86.87 -10.8 52.55 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.233 -0.917 . . . . 0.0 109.207 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -63.91 -46.2 85.9 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.31 -168.05 2.36 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.782 -1.199 . . . . 0.0 110.502 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.53 ' OE2' ' ND1' ' Y' ' 105' ' ' HIS . 86.5 tt0 -52.76 98.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.911 0.862 . . . . 0.0 110.383 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -62.81 153.91 31.5 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 mm -77.88 142.3 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.866 -1.146 . . . . 0.0 109.83 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -10.52 12.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.724 -0.61 . . . . 0.0 109.995 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -159.94 156.95 28.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 109.927 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.99 -34.46 73.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.508 -0.745 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -59.99 -36.54 77.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.139 -0.976 . . . . 0.0 110.943 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.435 ' CG2' ' NE2' ' Y' ' 105' ' ' HIS . 61.8 t -62.74 -39.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 120.925 -1.109 . . . . 0.0 108.784 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.77 -39.6 86.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.479 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.38 -38.0 89.45 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.521 -0.737 . . . . 0.0 109.99 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -66.46 -39.94 89.11 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.17 -32.02 56.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.583 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.6 mmm -71.2 -26.82 63.11 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.664 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -59.95 -39.95 87.35 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 119.952 -1.717 . . . . 0.0 106.464 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.0 m -79.69 -43.13 23.28 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.336 0.589 . . . . 0.0 111.068 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -87.68 -15.91 35.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 111.008 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.583 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -80.39 62.01 4.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.76 -37.97 74.58 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 79.9 m-20 -74.01 -13.7 60.91 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.0 76.36 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 25.2 p-10 -106.27 3.46 27.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.257 -1.143 . . . . 0.0 110.218 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.491 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.37 1.36 88.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 88.4 mt-10 -138.09 141.05 40.25 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 12.9 p -108.46 128.84 55.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.015 -1.053 . . . . 0.0 109.496 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.54 160.23 32.86 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.349 0.595 . . . . 0.0 110.326 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.06 -40.01 29.78 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.41 -38.99 85.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.103 -0.998 . . . . 0.0 109.485 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD2' ' B' ' 63' ' ' ASP . 46.4 mt-10 -67.07 -42.9 83.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.873 -1.142 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.58 -34.48 78.35 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.432 -0.793 . . . . 0.0 110.06 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.93 -35.93 75.98 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.413 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.85 72.62 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.027 -1.045 . . . . 0.0 110.836 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 40.1 t80 -59.94 -39.96 87.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.962 -1.086 . . . . 0.0 108.831 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -38.34 80.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.481 0.658 . . . . 0.0 109.427 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.57 ' HG ' ' C ' ' A' ' 74' ' ' MET . 2.8 t -61.63 -40.03 93.42 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.1 mtp -74.94 -41.87 58.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.196 -0.94 . . . . 0.0 110.922 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.49 -40.0 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.476 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.82 87.09 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.474 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.4 m -52.44 -39.93 61.61 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.6 m -59.82 -29.75 68.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.516 -0.74 . . . . 0.0 109.483 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -40.42 89.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.781 -1.199 . . . . 0.0 109.355 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' B' ' 86' ' ' GLU . 42.0 mp0 -64.48 -37.22 86.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.23 -0.919 . . . . 0.0 110.013 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.17 -22.02 19.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.099 -1.001 . . . . 0.0 110.628 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' B' ' 84' ' ' CYS . 40.1 t80 . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.106 -0.997 . . . . 0.0 110.576 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.545 ' ND1' ' OE2' ' A' ' 45' ' ' GLU . 9.0 m-70 -54.5 -32.7 58.49 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.06 -31.02 69.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.428 ' CB ' ' HZ3' ' X' ' 107' ' ' LYS . 0.1 OUTLIER -59.04 -40.02 83.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.876 -1.14 . . . . 0.0 108.257 -179.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.0 OUTLIER -76.68 -24.61 53.2 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.267 -0.895 . . . . 0.0 109.216 178.404 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.83 -24.62 64.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.064 -1.647 . . . . 0.0 109.869 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.4 p90 -45.02 -45.68 10.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.959 -1.088 . . . . 0.0 109.982 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 6.7 pttt -69.95 -34.84 73.96 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.294 -0.879 . . . . 0.0 109.146 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 94.4 m -61.42 -40.01 92.86 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.313 -0.867 . . . . 0.0 108.722 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 0.0 . 179.423 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.53 ' ND1' ' OE2' ' B' ' 45' ' ' GLU . 8.4 m-70 -54.52 -32.61 58.46 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.004 -1.06 . . . . 0.0 108.173 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.94 -31.29 69.72 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.95 83.08 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.246 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.0 OUTLIER -76.77 -24.55 52.9 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.281 -0.887 . . . . 0.0 109.215 178.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.1 mmt -59.85 -24.57 64.32 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.079 -1.638 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.4 p90 -45.13 -45.58 11.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.0 109.964 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.568 ' NZ ' ' CZ ' ' B' ' 76' ' ' PHE . 6.5 pttt -69.81 -35.88 75.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.336 -0.853 . . . . 0.0 109.055 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' Y' ' 111' ' ' LYS . 92.9 m -60.12 -40.0 88.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.98 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 . 179.547 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 55.91 15.77 1.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 109.017 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 5' ' ' LYS . 99.5 mt-10 -73.99 -2.6 24.84 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 tp -47.27 -22.27 0.38 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.698 -0.626 . . . . 0.0 109.954 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -70.27 -36.73 74.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.874 -1.141 . . . . 0.0 108.334 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' GLU . 32.6 ttpt -69.82 -39.93 76.19 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.676 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.0 80.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.314 -0.866 . . . . 0.0 111.364 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.469 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 46.0 mtt -65.33 -40.01 93.13 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.859 -1.151 . . . . 0.0 109.888 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.54 -38.83 82.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.192 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.16 86.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.875 -0.516 . . . . 0.0 111.438 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -59.93 -39.95 87.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.848 -1.157 . . . . 0.0 108.146 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.03 -39.14 76.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.795 -0.566 . . . . 0.0 110.5 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.53 -44.55 95.95 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.695 -1.253 . . . . 0.0 111.003 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -35.04 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.141 -0.974 . . . . 0.0 109.407 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -58.29 -39.86 80.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.633 -1.292 . . . . 0.0 108.567 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.97 -21.61 63.23 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.317 -0.864 . . . . 0.0 109.178 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.99 -44.64 94.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.257 -0.902 . . . . 0.0 110.427 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -96.09 -36.85 10.85 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.706 -1.246 . . . . 0.0 111.916 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -60.0 -43.33 95.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.737 -1.227 . . . . 0.0 110.538 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -15.19 80.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -61.13 -43.33 99.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.012 -1.287 . . . . 0.0 108.785 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -113.49 157.0 22.55 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 121.597 0.713 . . . . 0.0 109.314 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.4 -29.45 23.37 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.543 -0.723 . . . . 0.0 111.687 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 26' ' ' LYS . 88.7 m-20 -71.2 56.71 0.22 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.506 -1.585 . . . . 0.0 109.714 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' GLY . 31.2 ttpt -61.98 -39.23 91.49 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.082 -1.011 . . . . 0.0 110.553 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.526 ' H ' ' ND1' ' A' ' 25' ' ' HIS . 30.5 p-80 -78.7 -10.1 59.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.03 -1.044 . . . . 0.0 111.793 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 23' ' ' ASP . 58.1 pttt -146.47 156.61 43.4 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.573 -1.329 . . . . 0.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.13 119.0 38.22 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 30' ' ' SER . 83.7 tttt -90.14 150.63 21.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.751 -1.218 . . . . 0.0 108.371 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.2 pttp -43.66 -23.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.246 -0.909 . . . . 0.0 108.929 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.7 t -75.56 -48.2 23.4 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' LYS . 44.3 mt-10 -66.09 -37.79 86.64 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.93 -40.3 88.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.864 -0.523 . . . . 0.0 109.951 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 110.095 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.62 -36.78 76.46 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.62 -49.96 73.14 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.723 -1.236 . . . . 0.0 108.702 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -71.51 -49.69 45.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 111.085 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' C ' HD21 ' A' ' 38' ' ' ASN . 27.7 t-20 -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.231 -0.918 . . . . 0.0 111.743 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.643 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.4 m120 -98.84 -34.94 10.28 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.244 -0.91 . . . . 0.0 113.281 -176.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -91.85 -21.66 20.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.352 -1.467 . . . . 0.0 109.563 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -120.71 36.51 4.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.663 -0.648 . . . . 0.0 109.755 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.427 ' HG ' ' H ' ' A' ' 42' ' ' HIS . 39.9 p -67.09 -71.58 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.332 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.427 ' H ' ' HG ' ' A' ' 41' ' ' SER . 80.1 t60 -80.66 -16.57 53.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.4 OUTLIER -60.04 -45.81 91.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.509 -0.744 . . . . 0.0 109.315 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -161.18 -157.3 0.5 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.587 -1.321 . . . . 0.0 110.565 -179.502 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -50.6 92.82 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.704 0.764 . . . . 0.0 111.222 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' LEU . 86.0 tt0 -63.32 148.33 48.63 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.5 mm -86.8 137.07 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.745 -1.222 . . . . 0.0 109.806 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.03 -24.47 10.76 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.374 -0.828 . . . . 0.0 108.798 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.9 144.48 51.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.612 -0.68 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -18.95 64.6 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -60.53 -39.93 89.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.044 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.428 ' CG1' ' CD2' ' X' ' 105' ' ' HIS . 76.1 t -60.81 -39.98 83.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.22 -40.04 86.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 46.8 t0 -60.55 -40.02 90.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.564 0.697 . . . . 0.0 109.237 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.12 -40.4 95.76 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.518 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 28.2 t -66.83 -31.36 53.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.99 -31.68 69.5 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.768 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.07 -39.84 83.36 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -79.4 -46.3 17.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.898 -0.501 . . . . 0.0 111.091 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 4.1 mm? -88.91 -12.18 42.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.666 -1.271 . . . . 0.0 111.403 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.3 t0 -80.74 62.53 4.81 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.4 -39.74 80.53 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.126 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.77 -12.15 60.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.379 -0.825 . . . . 0.0 108.86 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.19 32.21 79.73 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 4.0 p30 -105.44 6.41 32.46 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.244 -1.15 . . . . 0.0 109.625 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.03 -1.41 88.81 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 65' ' ' ASP . 1.2 pp20? -140.58 138.33 34.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -97.64 129.68 44.71 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -76.45 168.97 19.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.783 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 8.1 t80 -51.31 -40.03 58.14 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -59.93 -50.07 75.19 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.255 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.83 -39.95 95.93 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.82 -32.02 73.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.037 -1.039 . . . . 0.0 109.384 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.485 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -59.98 -37.72 80.48 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -178.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.19 72.0 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.794 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -37.64 80.27 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.135 -0.978 . . . . 0.0 109.635 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -34.89 70.79 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-O 121.422 0.63 . . . . 0.0 109.39 -179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -63.13 -41.33 99.29 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.429 -0.794 . . . . 0.0 110.446 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.5 mtm -77.82 -40.42 40.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.911 -1.118 . . . . 0.0 111.298 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.73 -39.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.952 -1.092 . . . . 0.0 109.505 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.95 -38.44 82.46 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.467 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 5.5 m -56.17 -39.85 72.99 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.23 85.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 108.764 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 88' ' ' PHE . 38.1 t -60.01 -35.91 76.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.788 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.98 -39.31 85.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.077 . . . . 0.0 109.41 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -39.28 85.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.55 -24.9 17.79 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.104 -0.997 . . . . 0.0 109.684 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 84' ' ' CYS . 2.5 t80 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 15.69 2.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.006 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 5' ' ' LYS . 99.6 mt-10 -74.26 -2.68 25.99 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 55.8 tp -47.07 -22.71 0.38 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.753 -0.592 . . . . 0.0 109.96 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -70.02 -36.55 75.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.836 -1.165 . . . . 0.0 108.324 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 2' ' ' GLU . 33.5 ttpt -69.91 -40.04 75.84 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.184 0.516 . . . . 0.0 109.759 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.03 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 111.316 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.471 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 45.2 mtt -65.33 -40.02 93.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.808 -1.182 . . . . 0.0 109.785 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.45 -38.79 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-O 121.616 0.722 . . . . 0.0 109.325 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.25 86.74 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.871 -0.518 . . . . 0.0 111.388 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 108.108 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.82 -39.3 77.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.782 -0.574 . . . . 0.0 110.518 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.47 -44.71 95.61 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.727 -1.233 . . . . 0.0 110.996 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -35.17 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.15 -0.969 . . . . 0.0 109.415 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.17 -39.73 79.61 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.634 -1.291 . . . . 0.0 108.557 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -70.02 -21.65 63.18 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.35 -0.844 . . . . 0.0 109.141 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.93 -44.88 94.07 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.278 -0.889 . . . . 0.0 110.349 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -96.01 -36.79 10.91 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 120.827 -1.171 . . . . 0.0 111.93 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.2 p -60.04 -43.42 95.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 110.543 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 -14.64 81.29 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.48 -43.11 99.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.958 -1.319 . . . . 0.0 108.848 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.35 157.23 22.11 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 121.58 0.705 . . . . 0.0 109.306 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.45 -29.82 24.72 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.571 -0.706 . . . . 0.0 111.629 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 26' ' ' LYS . 89.4 m-20 -70.99 56.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.485 -1.597 . . . . 0.0 109.799 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' B' ' 22' ' ' GLY . 31.9 ttpt -62.07 -39.15 91.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.188 -0.945 . . . . 0.0 110.511 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.535 ' ND1' ' H ' ' B' ' 25' ' ' HIS . 31.6 p-80 -78.59 -10.19 59.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.017 -1.052 . . . . 0.0 111.743 -178.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.8 pttt -146.56 156.58 43.34 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.604 -1.31 . . . . 0.0 110.245 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.06 119.03 38.33 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 30' ' ' SER . 84.1 tttt -90.37 150.47 21.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.807 -1.183 . . . . 0.0 108.386 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -43.55 -23.54 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.265 -0.897 . . . . 0.0 108.913 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 28' ' ' LYS . 41.5 t -75.33 -48.33 23.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.3 mt-10 -66.06 -37.84 86.84 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.96 -40.23 88.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.911 -0.493 . . . . 0.0 109.972 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 110.157 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.69 -36.53 76.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.741 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.7 -50.0 72.84 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.777 -1.202 . . . . 0.0 108.801 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.55 -49.62 45.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 111.086 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.548 ' C ' HD21 ' B' ' 38' ' ' ASN . 27.3 t-20 -60.98 -39.99 91.71 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.197 -0.939 . . . . 0.0 111.721 -177.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.666 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.3 m120 -98.86 -35.05 10.23 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.219 -0.925 . . . . 0.0 113.226 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.76 -21.54 20.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.362 -1.461 . . . . 0.0 109.623 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -120.77 36.59 4.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.711 -0.618 . . . . 0.0 109.626 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.685 ' HG ' ' H ' ' B' ' 42' ' ' HIS . 42.2 p -67.11 -71.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 0.0 110.308 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.685 ' H ' ' HG ' ' B' ' 41' ' ' SER . 80.2 t60 -80.57 -16.6 53.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.396 -0.815 . . . . 0.0 109.998 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.469 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -60.03 -45.59 92.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.552 -0.717 . . . . 0.0 109.332 -179.105 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 46' ' ' GLU . 0.5 OUTLIER -161.35 -157.22 0.49 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.556 -1.34 . . . . 0.0 110.566 -179.561 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -50.85 93.05 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.196 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 44' ' ' LEU . 86.1 tt0 -63.3 148.35 48.53 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.1 mm -86.87 136.95 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.74 -1.225 . . . . 0.0 109.754 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -110.05 -24.4 10.78 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.87 144.4 51.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.59 -0.694 . . . . 0.0 109.343 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -19.07 64.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -60.41 -39.9 89.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.526 -0.734 . . . . 0.0 109.981 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.407 ' H ' ' HG3' ' B' ' 51' ' ' GLU . 88.9 t -60.83 -40.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.17 -40.06 86.23 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 47.4 t0 -60.52 -40.02 89.94 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.546 0.688 . . . . 0.0 109.207 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.03 -40.53 96.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.588 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 32.3 t -66.76 -31.29 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.567 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.5 mmm -70.03 -31.57 69.27 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.722 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -59.05 -39.82 83.19 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 119.927 -1.733 . . . . 0.0 106.41 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.3 m -79.56 -46.34 17.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.887 -0.508 . . . . 0.0 111.056 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -88.89 -11.93 43.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.669 -1.269 . . . . 0.0 111.356 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.97 62.51 4.98 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.147 -1.798 . . . . 0.0 106.147 177.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.37 -39.59 80.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.119 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.86 -12.35 60.15 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 108.813 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.26 32.37 80.47 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 4.0 p30 -105.64 6.31 31.92 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.237 -1.155 . . . . 0.0 109.585 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.24 -1.88 88.35 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' B' ' 67' ' ' GLU . 1.2 pp20? -140.14 138.61 35.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -1.044 . . . . 0.0 109.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -97.72 129.86 44.73 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.57 168.89 19.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.137 -0.977 . . . . 0.0 110.772 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.453 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 8.0 t80 -51.31 -39.78 57.64 Favored 'General case' 0 C--O 1.204 -1.34 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -60.03 -50.02 75.37 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.624 -0.672 . . . . 0.0 109.291 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.94 -31.74 72.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.073 -1.017 . . . . 0.0 109.457 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.467 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -60.03 -37.73 80.64 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.472 -0.767 . . . . 0.0 109.21 -178.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -33.04 71.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.1 -37.68 80.68 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.088 -1.007 . . . . 0.0 109.573 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -34.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-O 121.466 0.651 . . . . 0.0 109.491 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.03 -41.28 99.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.448 -0.782 . . . . 0.0 110.378 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtm -77.91 -40.54 39.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.885 -1.134 . . . . 0.0 111.45 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.63 -39.82 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.903 -1.123 . . . . 0.0 109.391 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -60.07 -38.19 82.13 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.485 ' OG1' ' SD ' ' A' ' 74' ' ' MET . 6.3 m -56.23 -39.76 73.02 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.29 85.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 108.844 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' B' ' 88' ' ' PHE . 38.4 t -59.92 -35.93 75.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.569 -0.707 . . . . 0.0 109.71 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.37 85.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.96 -1.088 . . . . 0.0 109.443 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -39.33 85.49 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -93.41 -24.99 17.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.553 ' N ' ' O ' ' B' ' 84' ' ' CYS . 2.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.518 ' HE2' ' CG2' ' A' ' 56' ' ' VAL . 7.0 t-80 -58.18 -34.44 70.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -59.94 -30.31 68.98 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.04 -39.94 87.67 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.928 . . . . 0.0 108.76 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.99 -36.19 74.98 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.346 -0.846 . . . . 0.0 109.01 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.46 ' O ' ' OG1' ' X' ' 112' ' ' THR . 16.9 mmt -50.0 -24.38 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.828 -1.17 . . . . 0.0 109.563 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.9 p90 -46.77 -44.14 18.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.946 -1.096 . . . . 0.0 109.29 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.3 pttt -67.43 -34.52 77.4 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' X' ' 109' ' ' MET . 59.3 p -65.28 -33.37 75.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.218 -0.926 . . . . 0.0 108.929 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.718 . . . . 0.0 . 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.588 ' HE2' ' CG2' ' B' ' 56' ' ' VAL . 6.9 t-80 -58.18 -34.46 70.35 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.168 -0.957 . . . . 0.0 108.744 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.69 -36.52 76.05 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.389 -0.819 . . . . 0.0 108.999 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.46 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 16.7 mmt -49.78 -24.43 2.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.838 -1.164 . . . . 0.0 109.682 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.528 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -46.63 -44.47 18.36 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.977 -1.077 . . . . 0.0 109.222 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.528 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.0 pttt -66.91 -35.81 80.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.335 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 73.1 p -63.65 -33.54 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.261 -0.9 . . . . 0.0 109.248 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.57 -0.706 . . . . 0.0 . 179.663 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 5.5 t 60.13 19.43 8.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.329 -0.857 . . . . 0.0 110.126 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.95 3.03 13.08 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -58.93 -24.79 62.85 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.879 -0.513 . . . . 0.0 109.877 -179.168 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.68 -40.07 94.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.627 -1.296 . . . . 0.0 109.221 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -68.79 -36.27 78.06 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.5 -0.75 . . . . 0.0 109.279 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.0 89.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.463 -0.773 . . . . 0.0 110.759 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.6 mtt -64.82 -40.17 94.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 109.407 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.7 -38.26 81.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.489 0.661 . . . . 0.0 109.245 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.68 94.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.761 -0.587 . . . . 0.0 111.376 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.651 -1.28 . . . . 0.0 108.3 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.53 -39.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.481 -0.762 . . . . 0.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -66.61 -40.39 88.8 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.809 -1.182 . . . . 0.0 111.753 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -39.73 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.93 -1.106 . . . . 0.0 109.558 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.97 -39.94 87.36 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 109.379 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -69.55 -22.21 63.57 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.276 -0.89 . . . . 0.0 109.773 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.717 -1.24 . . . . 0.0 109.832 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -93.19 -37.67 11.97 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 120.784 -1.197 . . . . 0.0 112.043 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -59.88 -39.96 87.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.141 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 -12.91 83.94 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.02 -1.282 . . . . 0.0 108.522 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -113.87 161.04 18.1 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.15 -14.48 0.85 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 120.444 -0.884 . . . . 0.0 110.949 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -74.55 62.91 1.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.754 -1.439 . . . . 0.0 109.488 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.98 -39.97 75.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.412 -0.805 . . . . 0.0 111.386 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -93.05 -0.02 57.22 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.973 -1.08 . . . . 0.0 110.701 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -146.95 170.27 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.894 -1.129 . . . . 0.0 109.24 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -134.62 129.46 34.95 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.7 tttp -96.22 146.98 24.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.714 -1.241 . . . . 0.0 109.894 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 52.8 pttt -42.04 -23.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.497 -0.752 . . . . 0.0 109.57 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 m -74.53 -50.16 19.16 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.26 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.46 -35.37 80.7 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.02 -42.95 95.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.797 -0.564 . . . . 0.0 109.636 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 87.1 tttt -60.21 -40.14 89.09 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.147 -0.971 . . . . 0.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 99.9 mt-10 -69.92 -30.71 68.18 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.964 -1.085 . . . . 0.0 109.088 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.6 tt -69.89 -42.6 73.22 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.248 -0.907 . . . . 0.0 109.454 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -73.77 -49.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.365 -0.834 . . . . 0.0 112.373 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.56 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 25.4 p30 -84.75 -24.45 28.81 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.321 -1.487 . . . . 0.0 112.888 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.56 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 1.2 m120 -94.99 -35.71 11.86 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.56 -1.338 . . . . 0.0 110.991 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' B' ' 1' ' ' SER . 7.1 tp10 -88.86 -17.23 30.1 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.611 -1.306 . . . . 0.0 109.386 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.13 37.6 4.03 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -59.9 -50.25 74.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 110.862 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.35 -32.11 11.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.05 -1.031 . . . . 0.0 110.659 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.6 t80 -66.94 -34.7 78.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 110.73 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tp -134.81 159.99 39.61 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.5 111.33 1.36 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.109 -0.995 . . . . 0.0 108.591 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.54 155.43 33.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.458 -0.776 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CD1' HH12 ' X' ' 104' ' ' ARG . 30.9 mm -79.8 140.05 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.99 -1.069 . . . . 0.0 108.714 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -20.68 13.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.506 -0.746 . . . . 0.0 110.048 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -139.78 139.46 36.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.308 -0.87 . . . . 0.0 108.67 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 51' ' ' GLU . 2.8 pp0? -65.2 -22.58 66.91 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.164 -0.96 . . . . 0.0 111.066 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.614 ' N ' ' NE2' ' A' ' 50' ' ' GLN . 18.4 pt-20 -59.98 -38.91 83.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.677 -1.264 . . . . 0.0 109.427 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.15 -40.04 82.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.44 -40.0 82.84 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.28 -39.39 90.21 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 14.1 t -68.29 -31.19 50.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.9 mmm -69.88 -30.12 67.49 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.223 -0.991 . . . . 0.0 109.377 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.28 -40.04 84.84 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -84.11 -40.02 18.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.753 -0.592 . . . . 0.0 111.434 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 tp -86.83 -19.0 29.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.106 -0.996 . . . . 0.0 110.129 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.4 t0 -80.69 66.29 6.15 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.43 -39.48 76.31 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.195 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -75.95 -15.95 60.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.265 -0.897 . . . . 0.0 108.621 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.63 31.86 77.17 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 32.9 p-10 -105.85 7.26 32.2 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.209 -1.171 . . . . 0.0 109.827 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.9 2.19 88.23 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 57.8 mt-10 -139.48 137.55 35.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.636 -0.92 . . . . 0.0 109.276 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.5 p -99.66 130.43 45.88 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.15 -0.969 . . . . 0.0 109.031 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 9.1 t70 -74.78 171.3 14.2 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.4 t80 -56.79 -39.94 75.0 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.034 -1.041 . . . . 0.0 109.371 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.13 -39.8 86.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.829 -1.169 . . . . 0.0 109.824 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.03 -42.55 97.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.919 -1.113 . . . . 0.0 110.145 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.97 -36.31 83.08 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.402 -0.811 . . . . 0.0 109.703 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.1 mmm -60.03 -37.76 80.73 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.788 -0.57 . . . . 0.0 110.517 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.12 72.77 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.792 -1.193 . . . . 0.0 111.233 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -62.12 -38.78 90.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.002 -1.061 . . . . 0.0 109.773 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 121.556 0.693 . . . . 0.0 110.074 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -63.99 -40.19 95.81 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.076 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 mtm -74.37 -40.65 61.96 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.951 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.46 -39.76 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.063 -1.023 . . . . 0.0 108.976 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -59.98 -39.94 87.4 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -53.14 -37.38 61.78 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.8 90.92 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' PHE . 19.4 t -59.99 -37.99 81.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 110.168 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.87 -40.87 90.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.824 -1.173 . . . . 0.0 108.238 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -80.61 -23.79 39.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.613 -0.679 . . . . 0.0 110.455 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 122.318 1.056 . . . . 0.0 108.231 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.519 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 5.2 t 59.96 19.26 8.32 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.277 -0.889 . . . . 0.0 110.269 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.75 2.95 12.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.912 0.863 . . . . 0.0 109.043 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.445 ' C ' ' CD2' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -58.92 -24.53 62.51 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.937 -179.137 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.17 -40.0 93.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.638 -1.289 . . . . 0.0 109.05 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -68.72 -36.19 78.1 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.556 -0.715 . . . . 0.0 109.293 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.98 89.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.9 mtt -64.67 -39.94 94.54 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.389 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.25 -38.08 81.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.823 -0.548 . . . . 0.0 111.415 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.98 -40.03 87.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.514 -1.366 . . . . 0.0 108.286 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -67.77 -39.26 81.67 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 121.493 -0.755 . . . . 0.0 110.39 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.24 -40.58 90.33 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.716 -1.24 . . . . 0.0 111.92 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -39.69 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.976 -1.077 . . . . 0.0 109.578 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -39.89 87.26 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.312 -0.868 . . . . 0.0 109.301 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -69.6 -22.25 63.52 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.824 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.776 -1.203 . . . . 0.0 109.82 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -93.24 -37.5 12.03 Favored 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.818 -1.176 . . . . 0.0 112.146 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.2 t -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.844 -1.16 . . . . 0.0 110.017 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.68 -13.01 83.92 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 67.3 ttt180 -60.1 -45.14 93.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.239 . . . . 0.0 108.594 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.8 161.13 17.94 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.74 -15.01 0.79 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -74.43 63.1 1.04 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.644 -1.503 . . . . 0.0 109.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -70.12 -40.07 75.09 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.389 -0.819 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -92.86 -0.02 57.32 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.94 -1.1 . . . . 0.0 110.766 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.1 170.12 17.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.976 -1.077 . . . . 0.0 109.237 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.29 129.25 35.3 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' SER . 60.7 tttp -96.14 146.86 24.31 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.714 -1.241 . . . . 0.0 109.772 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 52.6 pttt -41.93 -23.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.671 0.748 . . . . 0.0 109.48 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 28' ' ' LYS . 50.6 m -74.55 -50.15 19.15 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.273 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.84 -34.89 79.19 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.97 -42.98 95.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.657 -0.652 . . . . 0.0 109.49 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 87.6 tttt -60.21 -40.02 88.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.271 -0.893 . . . . 0.0 110.711 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.475 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 99.7 mt-10 -70.02 -30.71 68.07 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.941 -1.1 . . . . 0.0 109.123 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 6.6 tt -69.99 -42.43 73.09 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 121.214 -0.929 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.98 -49.05 35.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.344 -0.847 . . . . 0.0 112.31 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.562 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 25.4 p30 -84.78 -24.5 28.71 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.28 -1.513 . . . . 0.0 112.843 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.562 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m120 -94.91 -35.86 11.85 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.537 -1.352 . . . . 0.0 111.018 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.8 tp10 -88.68 -17.6 29.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -128.72 37.75 4.05 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -60.08 -50.2 74.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.794 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.37 -32.09 11.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.618 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.7 t80 -66.96 -34.64 78.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.113 -0.992 . . . . 0.0 110.768 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.82 159.97 39.69 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.069 -1.019 . . . . 0.0 109.066 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.243 -0.91 . . . . 0.0 108.586 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.37 155.37 32.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.515 -0.74 . . . . 0.0 109.392 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.436 ' CD1' HH12 ' Y' ' 104' ' ' ARG . 30.9 mm -79.78 140.02 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 O-C-N 120.955 -1.091 . . . . 0.0 108.761 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -20.33 13.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.027 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.1 tp10 -139.94 139.35 36.13 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.181 -0.949 . . . . 0.0 108.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' B' ' 51' ' ' GLU . 2.7 pp0? -65.32 -22.28 66.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.108 -0.995 . . . . 0.0 111.126 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.622 ' N ' ' NE2' ' B' ' 50' ' ' GLN . 18.7 pt-20 -60.17 -38.93 84.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.647 -1.283 . . . . 0.0 109.24 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.07 -39.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.5 -39.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.12 -39.57 90.51 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -60.68 -41.01 94.23 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.453 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 11.8 t -68.21 -31.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.9 mmm -70.01 -30.28 67.55 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.323 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.09 -39.97 83.83 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.078 -1.639 . . . . 0.0 106.655 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -84.21 -39.97 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.793 -0.567 . . . . 0.0 111.419 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 tp -86.88 -18.98 29.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.116 -0.99 . . . . 0.0 110.139 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.5 t0 -80.83 66.44 6.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -57.7 -39.29 76.85 Favored 'General case' 0 C--N 1.288 -2.076 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.098 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -75.43 -16.83 60.3 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.12 31.65 75.26 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 33.1 p-10 -105.83 7.46 32.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.157 -1.202 . . . . 0.0 109.763 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.63 2.49 88.12 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 56.3 mt-10 -139.5 137.77 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.596 -0.943 . . . . 0.0 109.211 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 9.1 p -99.85 130.39 46.04 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.239 -0.913 . . . . 0.0 109.002 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 9.1 t70 -74.72 171.11 14.51 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.4 t80 -56.57 -40.03 74.49 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.094 -1.004 . . . . 0.0 109.22 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.3 -39.63 85.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.07 -42.9 96.81 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.992 -1.068 . . . . 0.0 110.19 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.69 -36.44 82.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.472 -0.768 . . . . 0.0 109.758 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.95 -37.5 79.72 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.338 0.589 . . . . 0.0 110.486 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.781 -1.199 . . . . 0.0 111.075 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.11 -38.59 89.47 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.991 -1.068 . . . . 0.0 109.635 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -39.85 82.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-O 121.547 0.689 . . . . 0.0 110.14 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.56 ' HG ' ' N ' ' B' ' 79' ' ' MET . 59.6 p -64.35 -40.03 95.06 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.947 -0.701 . . . . 0.0 111.133 -177.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.56 ' N ' ' HG ' ' B' ' 78' ' ' SER . 21.0 mtm -74.52 -40.49 61.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.802 -1.159 . . . . 0.0 110.83 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.32 -39.91 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.131 -0.98 . . . . 0.0 109.098 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -39.95 87.49 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -53.08 -37.54 61.75 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.49 92.48 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' B' ' 88' ' ' PHE . 31.9 t -59.89 -37.45 79.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 110.22 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.0 -40.84 90.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.672 -1.268 . . . . 0.0 108.27 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.51 -39.47 91.1 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -80.75 -23.76 39.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 122.366 1.079 . . . . 0.0 108.219 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.69 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.628 0.728 . . . . 0.0 109.182 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.69 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 48.9 t-80 -61.53 -39.99 93.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.06 -1.025 . . . . 0.0 109.102 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.04 -30.34 69.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 109.5 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -59.81 -40.06 87.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.149 -0.97 . . . . 0.0 108.404 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 tp -73.85 -26.79 60.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.337 -0.852 . . . . 0.0 109.686 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.606 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -58.35 -24.41 59.68 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.395 -1.441 . . . . 0.0 110.274 -179.529 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -40.66 -41.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.085 -1.01 . . . . 0.0 109.177 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 19.3 pttt -69.97 -36.69 75.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.805 -0.559 . . . . 0.0 109.542 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.504 ' N ' ' O ' ' X' ' 109' ' ' MET . 37.6 p -63.11 -29.03 70.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.309 -0.869 . . . . 0.0 109.335 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 . 179.731 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.678 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.602 0.715 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.678 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 48.0 t-80 -61.5 -40.11 93.4 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.94 -30.25 68.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.96 -40.06 87.76 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.104 -0.998 . . . . 0.0 108.438 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.524 ' CD2' ' HZ3' ' Y' ' 111' ' ' LYS . 3.2 tp -73.8 -27.04 60.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.344 -0.848 . . . . 0.0 109.753 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -58.1 -24.38 58.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.387 -1.445 . . . . 0.0 110.183 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.512 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 4.1 p90 -40.71 -41.49 1.54 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.168 -0.957 . . . . 0.0 109.19 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.524 ' HZ3' ' CD2' ' Y' ' 108' ' ' LEU . 19.3 pttt -70.06 -37.58 75.55 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.793 -0.567 . . . . 0.0 109.501 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.503 ' N ' ' O ' ' Y' ' 109' ' ' MET . 38.3 p -61.44 -30.02 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.257 -0.902 . . . . 0.0 109.561 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 . -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.2 t 62.13 11.29 4.26 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.338 -0.851 . . . . 0.0 110.355 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.54 24.45 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.047 . . . . 0.0 108.872 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.542 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.4 tp -60.03 -31.88 70.38 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -64.8 -37.36 87.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.657 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.04 -40.04 95.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.0 83.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.7 mtt -61.72 -39.97 93.42 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.317 -0.865 . . . . 0.0 109.896 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.86 -40.01 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.0 96.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.7 -0.625 . . . . 0.0 111.691 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.07 -39.94 87.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.751 -1.218 . . . . 0.0 107.939 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.52 -40.02 85.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 O-C-N 121.829 -0.545 . . . . 0.0 110.775 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 41.1 t0 -60.39 -47.65 85.16 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.756 -1.215 . . . . 0.0 111.42 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -39.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.259 -0.9 . . . . 0.0 110.78 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.213 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HE2' ' CD2' ' B' ' 85' ' ' HIS . 17.9 m-70 -68.45 -24.67 64.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.109 -0.994 . . . . 0.0 110.451 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.92 -41.6 96.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.632 -1.293 . . . . 0.0 110.133 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HH ' ' N ' ' A' ' 39' ' ' GLU . 62.5 m-85 -92.57 -38.9 11.65 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.895 -1.128 . . . . 0.0 111.919 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 p -60.48 -40.15 90.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 110.356 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.97 -12.33 81.3 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.97 -46.92 87.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -1.178 . . . . 0.0 109.114 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -87.21 -76.0 0.38 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 109.722 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.78 -27.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.605 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.19 7.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.727 -1.455 . . . . 0.0 109.396 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.0 -39.93 75.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.018 -1.052 . . . . 0.0 110.208 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.1 -20.0 46.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.295 -0.878 . . . . 0.0 110.947 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 41.8 tttt -131.62 154.45 48.88 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.179 -0.951 . . . . 0.0 109.949 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 tp -125.72 139.3 53.65 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.462 -0.773 . . . . 0.0 109.274 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' SER . 31.6 ttpt -108.59 148.6 30.08 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -43.45 -24.12 0.09 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.877 . . . . 0.0 109.979 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 20.8 t -73.69 -51.66 15.91 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.033 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.01 -39.41 94.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.0 -40.26 88.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.23 -39.99 88.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 109.612 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.93 -39.45 93.53 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 0.0 109.152 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.0 tt -61.01 -49.93 75.44 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.014 -1.054 . . . . 0.0 108.994 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.55 -48.31 53.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.406 -0.809 . . . . 0.0 111.344 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.3 t-20 -64.22 -40.5 96.17 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.136 -0.977 . . . . 0.0 112.678 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 5.2 m120 -99.07 -34.62 10.32 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.199 -0.938 . . . . 0.0 113.0 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.537 ' N ' ' HH ' ' A' ' 17' ' ' TYR . 18.4 tt0 -80.07 -9.27 59.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.387 -1.446 . . . . 0.0 109.938 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 mt -141.6 50.31 1.58 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.06 -42.73 95.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.284 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -119.63 -26.12 5.8 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.242 -0.911 . . . . 0.0 110.132 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -61.67 -40.01 93.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.136 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -131.83 160.07 36.7 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.641 -1.223 . . . . 0.0 108.963 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.63 147.23 49.97 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -87.2 135.59 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.868 -1.145 . . . . 0.0 108.551 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -107.05 -17.43 14.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.466 -0.771 . . . . 0.0 110.123 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -140.11 142.43 36.05 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -61.0 -26.84 67.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.651 -0.656 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.01 -37.23 79.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.92 -1.113 . . . . 0.0 110.222 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.05 -40.01 82.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.896 -1.128 . . . . 0.0 108.1 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.64 -37.77 80.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.03 -39.67 90.68 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.037 0.923 . . . . 0.0 109.671 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -66.81 -40.01 87.9 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.13 -28.77 44.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.48 -35.69 79.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -54.57 -37.91 66.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 106.942 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -80.66 -48.26 12.88 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.879 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.7 mt -89.35 -13.77 37.13 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.866 -1.146 . . . . 0.0 111.121 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 57' ' ' MET . 46.7 t0 -80.93 60.84 4.31 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.21 -40.04 84.57 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -74.82 -11.09 60.06 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.77 31.19 74.76 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.1 p-10 -107.67 6.65 27.95 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -1.144 . . . . 0.0 110.166 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 77.69 9.0 87.17 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -140.01 138.43 35.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.854 -0.792 . . . . 0.0 108.936 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 130.54 56.03 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.52 160.04 33.19 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.611 -0.681 . . . . 0.0 109.202 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.428 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.2 t80 -47.69 -36.67 11.58 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.05 -49.35 78.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.513 0.673 . . . . 0.0 109.853 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.0 mt-10 -60.01 -39.95 87.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 110.629 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.38 -31.6 71.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.407 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.428 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -60.04 -36.44 77.29 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.81 . . . . 0.0 109.413 -178.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.865 -1.147 . . . . 0.0 109.588 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -36.56 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.588 0.708 . . . . 0.0 109.411 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -61.77 -41.76 98.12 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.644 -0.66 . . . . 0.0 110.625 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.1 mtm -75.42 -41.67 55.46 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.489 -1.284 . . . . 0.0 111.427 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.72 -37.32 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.089 -1.007 . . . . 0.0 109.915 -178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 122.165 0.983 . . . . 0.0 108.852 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -56.51 -38.7 72.17 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.68 83.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.1 m -59.99 -35.9 76.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.43 -0.794 . . . . 0.0 109.63 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.479 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 13.3 t-80 -59.95 -40.72 89.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.003 . . . . 0.0 108.837 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.66 -39.96 90.29 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -78.45 -47.85 16.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.515 -0.741 . . . . 0.0 110.258 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 3.8 t80 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.321 -0.862 . . . . 0.0 109.111 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.307 0.575 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.545 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.3 t 62.11 11.31 4.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.297 -0.877 . . . . 0.0 110.4 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.62 24.61 0.15 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.058 -1.026 . . . . 0.0 108.867 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.5 tp -60.02 -32.03 70.51 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.804 -0.759 . . . . 0.0 108.953 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -64.64 -37.5 87.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.159 -0.963 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.94 -40.03 95.51 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.9 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.01 83.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 110.349 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -61.92 -39.95 93.79 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.904 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.68 -39.98 86.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.02 96.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.784 -0.572 . . . . 0.0 111.682 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -39.99 87.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.717 -1.239 . . . . 0.0 107.97 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.55 -39.95 85.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 O-C-N 121.786 -0.571 . . . . 0.0 110.902 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 41.2 t0 -60.53 -47.51 85.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.767 -1.208 . . . . 0.0 111.459 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -39.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.16 -0.963 . . . . 0.0 110.791 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.61 -39.19 83.41 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.123 -0.985 . . . . 0.0 109.241 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.479 ' HE2' ' CD2' ' A' ' 85' ' ' HIS . 18.3 m-70 -68.52 -24.55 64.67 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.479 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.94 -41.7 96.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.581 -1.324 . . . . 0.0 110.074 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.53 -39.07 11.57 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.857 -1.152 . . . . 0.0 111.873 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 44.7 p -60.34 -40.03 89.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.777 -1.202 . . . . 0.0 110.403 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.01 -12.34 81.22 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.06 -46.88 88.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -1.16 . . . . 0.0 109.082 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -87.24 -76.08 0.38 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.388 -0.82 . . . . 0.0 109.654 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.73 -27.1 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.595 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.1 7.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.446 . . . . 0.0 109.344 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.96 -39.99 75.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.978 -1.076 . . . . 0.0 110.194 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.07 -19.96 46.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.327 -0.858 . . . . 0.0 110.949 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.7 tttt -131.64 154.56 48.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.182 -0.949 . . . . 0.0 109.918 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -126.14 139.18 53.58 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.409 -0.807 . . . . 0.0 109.294 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' B' ' 30' ' ' SER . 31.9 ttpt -108.42 148.49 30.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.994 -1.066 . . . . 0.0 109.407 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -43.36 -24.2 0.09 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.28 -0.887 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.452 ' N ' ' O ' ' B' ' 28' ' ' LYS . 22.3 t -73.61 -51.52 16.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.007 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.11 -39.39 94.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.05 -40.23 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.687 -0.633 . . . . 0.0 110.437 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.24 -40.02 88.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.755 -1.216 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.98 -39.46 93.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.127 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.438 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 6.8 tt -60.99 -50.0 75.14 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.936 -1.103 . . . . 0.0 109.022 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -71.43 -48.26 54.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.435 -0.791 . . . . 0.0 111.33 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.4 t-20 -64.26 -40.61 96.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.13 -0.982 . . . . 0.0 112.66 -177.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.459 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 5.1 m120 -99.05 -34.48 10.39 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.2 -0.938 . . . . 0.0 112.977 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 18.2 tt0 -80.13 -9.51 59.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.437 -1.415 . . . . 0.0 109.881 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.36 50.15 1.61 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.245 -0.91 . . . . 0.0 109.283 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.01 -42.66 94.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.0 . . . . 0.0 110.309 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -119.59 -26.28 5.78 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.277 -0.889 . . . . 0.0 110.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.61 -39.92 92.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 110.15 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.91 160.12 36.65 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 9.0 pt-20 -54.45 112.35 0.98 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.006 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.53 146.97 50.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -86.9 135.65 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.851 -1.156 . . . . 0.0 108.52 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -107.08 -17.54 14.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.408 -0.808 . . . . 0.0 110.088 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -140.13 142.6 36.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.192 -0.942 . . . . 0.0 110.535 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -61.1 -26.83 67.94 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.771 -0.581 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.03 -37.21 79.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.825 -1.172 . . . . 0.0 110.177 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.05 -39.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.869 -1.145 . . . . 0.0 108.16 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.73 -37.56 80.01 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.28 -39.66 91.22 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.051 0.929 . . . . 0.0 109.637 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.85 -39.98 87.75 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.09 -28.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -67.36 -35.69 79.85 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.472 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -54.53 -38.04 66.11 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.142 -1.599 . . . . 0.0 106.869 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 -48.22 13.02 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 26.5 mt -89.43 -13.68 37.1 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.816 -1.177 . . . . 0.0 111.115 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.7 t0 -80.93 60.78 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -59.17 -39.96 84.15 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.97 -11.0 60.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.27 74.61 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 33.0 p-10 -107.69 6.54 27.81 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.277 -1.131 . . . . 0.0 110.161 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 77.74 9.03 87.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 108.143 -1.983 . . . . 0.0 108.143 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -139.97 138.42 35.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.885 -0.773 . . . . 0.0 108.945 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.83 130.39 56.11 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.43 159.98 33.21 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.6 -0.687 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.2 t80 -47.66 -36.71 11.47 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.99 -49.28 78.31 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.544 0.688 . . . . 0.0 109.852 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 40.8 mt-10 -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 110.612 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -67.54 -31.42 71.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.956 -1.09 . . . . 0.0 109.417 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.433 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.449 -179.076 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.71 71.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.926 -1.109 . . . . 0.0 110.617 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.03 -39.98 87.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.815 -1.178 . . . . 0.0 109.488 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -36.78 77.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.583 0.706 . . . . 0.0 109.371 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -61.83 -41.64 98.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.649 -0.657 . . . . 0.0 110.646 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.2 mtm -75.5 -41.55 55.01 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.4 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.89 -37.11 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.822 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.04 -40.02 87.92 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 122.104 0.954 . . . . 0.0 108.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 m -56.35 -38.9 72.01 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.81 83.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 23.4 m -59.9 -35.75 75.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 109.643 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.467 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 13.2 t-80 -59.96 -40.87 90.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.116 -0.99 . . . . 0.0 108.849 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.48 -40.05 89.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -78.57 -47.77 16.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.509 -0.744 . . . . 0.0 110.217 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 3.7 t80 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.341 -0.849 . . . . 0.0 109.061 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' X' ' 109' ' ' MET . 40.2 m80 -66.52 -33.38 75.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.17 -32.79 70.23 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 38.0 ttpt -59.94 -39.0 84.06 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.4 -28.11 68.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 110.08 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -64.13 -24.57 67.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.636 -1.29 . . . . 0.0 110.115 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.656 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.0 -38.45 7.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.534 -1.354 . . . . 0.0 110.378 -178.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.656 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.35 -39.18 33.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.695 -1.253 . . . . 0.0 109.87 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.15 -30.62 38.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.856 -1.153 . . . . 0.0 108.726 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 . 179.414 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 39.7 m80 -66.46 -33.27 75.32 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.36 -32.43 70.11 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 38.2 ttpt -60.0 -39.23 85.08 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.21 -28.28 68.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.523 -0.736 . . . . 0.0 110.046 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -63.94 -24.6 67.79 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.7 -1.25 . . . . 0.0 110.162 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.647 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.06 -38.45 7.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.584 -1.322 . . . . 0.0 110.347 -178.574 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.647 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.58 -37.86 35.32 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.743 -1.223 . . . . 0.0 110.05 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -30.01 55.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.923 -1.111 . . . . 0.0 108.54 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 0.0 . 179.235 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.45 0.643 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 p 50.72 22.03 1.04 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.458 -0.776 . . . . 0.0 109.369 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.95 -8.78 57.47 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.538 0.685 . . . . 0.0 109.363 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tt -51.31 -22.94 3.14 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.69 -0.632 . . . . 0.0 110.061 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.93 -40.05 79.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.526 -1.359 . . . . 0.0 109.183 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -70.16 -32.29 70.18 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.03 79.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.849 -0.532 . . . . 0.0 110.769 -178.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -66.67 -39.92 88.38 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.095 -1.003 . . . . 0.0 109.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.14 -37.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.955 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.45 72.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.304 -0.872 . . . . 0.0 110.341 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.74 -34.81 29.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.892 -0.505 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.15 -43.59 95.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.893 -178.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -25.05 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.184 -0.947 . . . . 0.0 109.777 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.88 -40.88 90.2 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.714 -1.242 . . . . 0.0 108.984 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -80.42 -22.65 40.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.431 -0.793 . . . . 0.0 110.433 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -53.38 -47.61 69.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.743 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -111.34 -25.98 9.37 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 121.249 -0.907 . . . . 0.0 111.918 -178.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.1 t -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.718 -1.239 . . . . 0.0 110.152 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.88 90.39 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -59.99 -48.85 80.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.037 -1.272 . . . . 0.0 109.855 -179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -89.97 -79.86 0.33 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.223 -0.923 . . . . 0.0 109.975 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.03 -28.91 0.02 OUTLIER Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.433 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' LYS . 22.4 m-20 -73.38 72.26 1.31 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.922 -1.34 . . . . 0.0 108.505 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.99 -49.88 75.93 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.615 -0.678 . . . . 0.0 110.95 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -89.75 -4.43 57.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.058 -1.026 . . . . 0.0 111.464 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 23' ' ' ASP . 18.6 mtpp -135.31 158.11 45.21 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.006 -1.059 . . . . 0.0 110.602 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -125.98 131.76 52.18 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.824 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.7 mttt -103.96 159.99 15.19 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -49.0 -24.62 1.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 28' ' ' LYS . 25.3 t -74.37 -45.38 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.781 179.104 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -70.05 -34.36 73.11 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.89 -42.96 94.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -62.53 -36.51 82.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.558 -0.714 . . . . 0.0 110.067 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.905 -1.122 . . . . 0.0 109.417 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 1.3 tt -68.95 -45.35 70.95 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.956 -1.09 . . . . 0.0 108.975 178.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.4 mt -69.94 -41.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.445 -0.785 . . . . 0.0 111.866 -177.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' C ' HD21 ' A' ' 38' ' ' ASN . 10.9 t-20 -71.1 -39.79 71.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.788 -1.195 . . . . 0.0 111.205 -179.164 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.547 ' N ' HD21 ' A' ' 38' ' ' ASN . 2.0 m120 -100.95 -32.93 10.4 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.5 tp10 -81.68 -14.95 55.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.376 -1.453 . . . . 0.0 110.74 -176.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 mt -115.82 54.85 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.418 -0.801 . . . . 0.0 109.263 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -60.06 -40.4 89.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.124 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.34 -16.56 0.56 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.023 -1.048 . . . . 0.0 110.595 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.5 -45.77 92.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.837 -1.165 . . . . 0.0 109.382 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -134.27 149.09 50.9 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.524 ' O ' ' NH2' ' X' ' 104' ' ' ARG . 88.6 tt0 -56.18 114.11 1.83 Allowed 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.482 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.6 pm0 -66.65 170.48 6.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.646 -0.659 . . . . 0.0 109.693 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.4 mt -98.28 140.01 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 -24.48 10.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.57 -0.706 . . . . 0.0 110.512 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 59.5 mp0 -115.34 139.94 49.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.431 -0.793 . . . . 0.0 109.181 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -17.86 63.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.108 -0.995 . . . . 0.0 109.457 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.24 -39.97 94.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.949 -1.095 . . . . 0.0 109.802 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.13 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.97 -40.06 85.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.91 -39.22 91.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.467 -0.771 . . . . 0.0 109.867 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -67.44 -39.93 85.4 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.878 0.847 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.69 -29.57 44.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 80.9 mmm -74.17 -26.0 60.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.764 -0.775 . . . . 0.0 109.047 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -39.95 87.75 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -79.29 -40.5 30.28 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.1 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.53 -20.06 27.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.043 -1.036 . . . . 0.0 110.495 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.7 t0 -80.3 62.11 4.32 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -76.3 -11.64 59.94 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.4 31.11 79.65 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 11.3 p30 -107.18 7.87 29.74 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.281 -1.129 . . . . 0.0 110.175 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.22 1.85 86.39 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -141.04 151.34 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.526 -0.985 . . . . 0.0 109.055 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -118.23 138.67 52.18 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -83.25 171.84 13.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.141 -0.974 . . . . 0.0 109.56 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -52.01 -39.99 60.3 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.165 -0.959 . . . . 0.0 108.756 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -60.42 -51.58 68.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 110.575 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.21 -40.57 96.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.784 -1.198 . . . . 0.0 110.292 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.99 -34.2 74.41 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.478 -0.764 . . . . 0.0 109.956 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.0 -36.76 77.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.366 -0.834 . . . . 0.0 109.818 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.99 73.74 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.004 -1.078 . . . . 0.0 111.311 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.08 -39.96 87.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.919 -1.113 . . . . 0.0 110.364 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -36.03 76.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-O 121.42 0.629 . . . . 0.0 109.522 -178.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.07 -40.72 98.51 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.536 -0.728 . . . . 0.0 110.085 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.3 mtp -73.39 -43.59 60.24 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.288 -0.883 . . . . 0.0 111.518 -178.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.24 -37.96 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.096 -1.003 . . . . 0.0 109.894 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.96 -39.85 87.06 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -53.38 -39.99 64.66 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.41 82.81 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.25 -34.77 70.82 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -59.99 -40.69 90.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.063 -1.023 . . . . 0.0 108.276 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.84 -40.04 91.34 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.22 -41.31 77.22 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.127 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.386 0.612 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.9 p 50.59 21.99 0.99 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.831 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.07 -8.66 57.18 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.612 -0.68 . . . . 0.0 109.474 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.4 -23.23 3.59 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.664 -0.648 . . . . 0.0 109.943 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -68.59 -40.09 80.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.693 -1.254 . . . . 0.0 109.235 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.99 78.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.92 -0.488 . . . . 0.0 110.698 -178.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -66.85 -40.03 87.76 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.014 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.99 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.556 -0.715 . . . . 0.0 109.953 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.78 72.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.377 -0.827 . . . . 0.0 110.293 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.06 84.81 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.2 -35.06 32.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.911 -0.493 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.063 -1.023 . . . . 0.0 110.922 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.98 -25.07 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.145 -0.972 . . . . 0.0 109.788 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.71 -41.63 91.24 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.696 -1.252 . . . . 0.0 108.875 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -80.22 -22.12 42.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.456 -0.778 . . . . 0.0 110.546 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -54.0 -47.65 71.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.091 -1.006 . . . . 0.0 110.587 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -111.0 -26.15 9.42 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 121.274 -0.891 . . . . 0.0 111.962 -178.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.669 -1.269 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.83 -4.89 90.34 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.313 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.051 -1.264 . . . . 0.0 110.215 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -89.99 -79.83 0.33 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.358 -0.839 . . . . 0.0 110.003 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.14 -28.86 0.02 OUTLIER Glycine 0 N--CA 1.493 2.468 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.395 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' B' ' 26' ' ' LYS . 22.3 m-20 -73.1 72.31 1.17 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.799 -1.413 . . . . 0.0 108.553 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.94 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 0.0 110.95 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -90.02 -4.32 57.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.033 -1.042 . . . . 0.0 111.455 -178.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.0 mtpp -135.25 158.29 44.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.958 -1.089 . . . . 0.0 110.601 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -126.04 131.89 52.08 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.782 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' B' ' 30' ' ' SER . 94.4 mttt -104.09 160.17 15.07 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -49.38 -24.53 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' C ' ' B' ' 28' ' ' LYS . 27.3 t -74.28 -45.51 47.21 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.774 179.136 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -69.91 -34.23 73.23 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.04 -42.39 94.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.586 -0.696 . . . . 0.0 109.152 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -63.41 -36.23 83.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.531 -0.731 . . . . 0.0 109.989 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.989 -1.069 . . . . 0.0 109.558 -178.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -69.72 -44.75 69.68 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.858 -1.137 . . . . 0.0 108.93 179.269 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -70.02 -41.33 79.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.465 -0.772 . . . . 0.0 111.837 -177.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.502 ' C ' HD21 ' B' ' 38' ' ' ASN . 10.7 t-20 -71.17 -39.94 71.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.82 -1.175 . . . . 0.0 111.265 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.556 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.9 m120 -100.98 -32.41 10.64 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.265 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.5 tp10 -81.75 -15.06 55.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.422 -1.423 . . . . 0.0 110.661 -176.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.0 mt -115.85 55.34 0.79 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.439 -0.788 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.95 -40.85 90.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.34 -0.85 . . . . 0.0 110.058 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -144.16 -16.51 0.58 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.021 -1.05 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.54 -45.85 92.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.833 -1.167 . . . . 0.0 109.429 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.31 149.16 50.87 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.497 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 88.3 tt0 -56.11 113.58 1.59 Allowed 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.49 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 1.6 pm0 -66.31 170.79 5.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.563 -0.711 . . . . 0.0 109.665 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 81.7 mt -98.6 139.96 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.228 -0.92 . . . . 0.0 109.46 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -24.12 10.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.605 -0.685 . . . . 0.0 110.471 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 59.6 mp0 -115.46 140.07 49.47 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.368 -0.832 . . . . 0.0 109.123 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -17.74 63.35 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.4 pt-20 -62.35 -40.05 95.12 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.965 -1.084 . . . . 0.0 109.811 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 87.4 t -60.12 -39.94 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.93 -39.97 85.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.63 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -62.2 -38.95 91.09 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.471 -0.768 . . . . 0.0 109.837 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -67.68 -40.03 84.44 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.926 0.87 . . . . 0.0 108.945 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.45 -29.57 44.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 80.3 mmm -74.26 -26.06 59.99 Favored 'General case' 0 C--O 1.199 -1.559 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.106 179.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.99 -40.0 87.67 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 178.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -79.54 -39.94 30.71 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.101 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.05 -19.93 26.43 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.994 -1.066 . . . . 0.0 110.39 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -80.49 62.25 4.52 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.98 -37.37 79.43 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -76.34 -11.81 59.96 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.17 31.25 80.07 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 11.9 p30 -107.22 7.75 29.58 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.283 -1.128 . . . . 0.0 110.065 -179.498 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.493 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.14 2.18 86.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.7 pt-20 -141.4 151.29 43.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -1.018 . . . . 0.0 108.873 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -118.51 138.52 52.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -82.96 171.95 13.31 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -51.97 -39.99 60.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.29 -0.881 . . . . 0.0 108.775 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.48 -51.69 68.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.825 . . . . 0.0 110.537 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -61.94 -41.15 97.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.884 -1.135 . . . . 0.0 110.337 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.58 -34.31 74.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.4 -0.812 . . . . 0.0 109.991 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -36.51 77.18 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.33 -0.856 . . . . 0.0 109.783 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.42 74.82 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 118.936 -1.105 . . . . 0.0 111.408 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.04 -40.03 87.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.832 -1.167 . . . . 0.0 110.301 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -35.82 75.68 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.224 0 CA-C-O 121.402 0.62 . . . . 0.0 109.603 -178.6 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.908 -179.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.69 -43.07 60.34 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 111.505 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.66 -38.12 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.115 -0.991 . . . . 0.0 109.877 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.01 84.08 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.456 ' H ' ' HG1' ' B' ' 82' ' ' THR . 4.0 m -53.92 -40.32 66.6 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.7 81.56 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 -34.66 71.09 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.0 -40.95 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.995 -1.065 . . . . 0.0 108.401 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.74 -40.03 90.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.2 -41.59 76.9 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.156 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 45' ' ' GLU . 4.5 ptm180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.118 0.485 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 7.2 p80 -60.01 -38.93 84.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.963 -1.086 . . . . 0.0 109.47 -179.53 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.632 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 35.8 ttpt -59.97 -32.39 70.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.474 -0.766 . . . . 0.0 109.194 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.73 -42.73 93.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.02 -1.05 . . . . 0.0 109.176 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.48 -26.07 60.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.882 -1.136 . . . . 0.0 109.63 178.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.521 ' O ' ' N ' ' X' ' 112' ' ' THR . 39.1 mmt -57.24 -24.24 53.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.587 -1.321 . . . . 0.0 109.55 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.41 -41.51 6.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.816 -1.177 . . . . 0.0 109.011 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.503 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 23.2 pttt -69.47 -32.53 71.5 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.521 ' N ' ' O ' ' X' ' 109' ' ' MET . 85.1 m -60.75 -39.92 90.5 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -178.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.428 -0.795 . . . . 0.0 . -179.817 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.497 ' NH2' ' O ' ' B' ' 45' ' ' GLU . 4.4 ptm180 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 7.0 p80 -59.97 -39.07 84.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.857 -1.152 . . . . 0.0 109.443 -179.483 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.639 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 35.9 ttpt -59.99 -32.29 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 109.192 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.38 -43.05 92.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.947 -1.095 . . . . 0.0 109.175 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.45 -26.03 60.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.865 -1.147 . . . . 0.0 109.506 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' Y' ' 112' ' ' THR . 38.4 mmt -57.22 -24.45 54.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.541 -1.349 . . . . 0.0 109.584 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.06 -41.76 5.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.875 -1.141 . . . . 0.0 109.056 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 25.8 pttt -69.22 -33.32 73.12 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' Y' ' 109' ' ' MET . 89.7 m -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.064 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 . -179.668 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.209 0.528 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.06 20.18 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 109.72 179.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.05 -5.91 44.36 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.47 0.653 . . . . 0.0 109.796 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.0 tp -44.06 -24.38 0.15 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.589 -0.694 . . . . 0.0 110.402 -178.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -67.42 -40.04 85.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.554 -1.341 . . . . 0.0 109.045 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.52 -39.98 73.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.496 -0.752 . . . . 0.0 110.02 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.97 94.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.805 . . . . 0.0 111.079 -178.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -67.01 -39.96 87.2 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.033 -1.042 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.5 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.259 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.25 67.49 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.346 -0.846 . . . . 0.0 111.41 -178.399 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.46 -37.32 77.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.92 -47.0 87.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.988 -1.07 . . . . 0.0 111.145 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -38.99 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.891 -1.13 . . . . 0.0 109.685 -179.405 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 36.1 t80 -56.23 -39.95 73.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.465 -1.397 . . . . 0.0 108.595 -179.589 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.664 ' HE2' ' HE2' ' B' ' 85' ' ' HIS . 31.6 m170 -69.87 -21.84 63.3 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.241 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.97 -43.7 94.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 110.421 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.555 ' HH ' ' CA ' ' A' ' 39' ' ' GLU . 64.7 m-85 -97.23 -36.26 10.49 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.799 -1.188 . . . . 0.0 112.196 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.545 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 58.0 m -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.944 -1.097 . . . . 0.0 111.122 -177.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.26 -4.2 67.9 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 119.945 -1.121 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -70.05 -45.68 66.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.809 -1.406 . . . . 0.0 110.525 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.57 161.06 17.87 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.523 -0.736 . . . . 0.0 110.252 -178.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -45.7 -23.65 1.0 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.528 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.7 m-20 -72.02 57.98 0.34 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.956 -1.32 . . . . 0.0 108.44 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.3 mtmt -66.4 -39.99 89.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.467 -0.77 . . . . 0.0 110.892 -178.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 85.6 t60 -87.68 -7.74 57.03 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.136 -0.978 . . . . 0.0 111.453 -178.121 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.0 ptpt -144.83 167.7 21.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.802 -1.186 . . . . 0.0 109.733 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -120.44 127.4 52.21 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.4 tttp -92.29 149.24 21.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 178.811 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.3 pttm -45.02 -22.86 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.7 t -80.05 -49.92 11.09 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.219 0.533 . . . . 0.0 109.701 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 60.4 tt0 -68.53 -34.34 75.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.99 -41.42 92.03 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.662 -0.649 . . . . 0.0 109.712 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' NZ ' ' OE1' ' A' ' 50' ' ' GLN . 88.0 tttt -60.03 -39.97 87.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 -179.098 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.05 -39.99 91.93 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.5 tt -60.87 -48.91 79.63 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.241 -0.912 . . . . 0.0 109.118 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 36' ' ' ILE . 77.3 mt -74.29 -46.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.315 -0.865 . . . . 0.0 112.09 -178.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.531 ' N ' HD21 ' A' ' 37' ' ' ASN . 1.3 m-80 -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 112.608 -176.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.4 -38.78 9.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.172 -0.955 . . . . 0.0 112.494 -176.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' CA ' ' HH ' ' A' ' 17' ' ' TYR . 23.8 tt0 -67.41 -40.06 85.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.443 -1.411 . . . . 0.0 108.905 -178.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -99.79 63.67 1.22 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 110.002 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -135.86 -17.07 1.69 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.281 -0.887 . . . . 0.0 109.955 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.73 -41.24 97.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.068 -1.02 . . . . 0.0 109.966 -179.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 tt -130.96 153.33 49.31 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -59.42 113.91 2.42 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.057 -179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 37' ' ' ASN . 31.6 mt-10 -56.45 166.38 0.9 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.708 0.766 . . . . 0.0 109.706 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mm -95.56 140.03 17.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -108.65 -14.11 14.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.461 -0.774 . . . . 0.0 109.988 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -137.09 149.15 47.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.202 -0.936 . . . . 0.0 110.81 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.461 ' OE1' ' NZ ' ' A' ' 33' ' ' LYS . 9.5 mm100 -69.73 -24.99 63.63 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.1 pt-20 -60.75 -39.98 90.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.744 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 95.0 t -60.13 -39.95 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.046 -1.034 . . . . 0.0 108.667 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.24 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.82 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -67.48 -35.21 78.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.341 -0.849 . . . . 0.0 109.934 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HZ1' ' CE ' ' X' ' 109' ' ' MET . 84.8 tttt -68.52 -40.0 80.99 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.714 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -63.91 -35.2 72.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.614 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.99 -26.1 63.93 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.575 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.95 -40.06 87.71 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.6 m -82.78 -37.91 23.92 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.38 178.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -87.63 -18.11 30.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.081 -1.012 . . . . 0.0 110.786 -177.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 57' ' ' MET . 58.9 t0 -80.92 61.44 4.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.503 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 59.4 mt-10 -60.01 -39.96 87.58 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.717 -177.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -84.96 -2.85 58.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.0 -1.062 . . . . 0.0 108.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.75 34.53 87.64 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.375 178.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 44.9 p-10 -104.93 -0.71 26.71 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.102 -1.234 . . . . 0.0 110.102 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.532 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.46 4.46 87.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 29.6 mt-10 -137.94 133.53 33.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.629 -0.924 . . . . 0.0 108.537 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 p -95.4 122.2 37.87 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.034 -1.041 . . . . 0.0 108.724 179.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -77.96 170.56 16.39 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -178.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 3.3 t80 -44.66 -44.12 8.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -62.15 -49.98 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.522 -0.736 . . . . 0.0 110.326 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -61.55 -40.04 93.24 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.283 -0.886 . . . . 0.0 110.666 -178.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -68.7 -29.12 67.49 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.942 -1.099 . . . . 0.0 109.413 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.502 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.0 OUTLIER -59.99 -39.51 85.98 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.368 -179.075 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.99 -33.27 71.83 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.879 -1.138 . . . . 0.0 110.605 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -34.46 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 0.0 110.03 -178.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 3.3 p -68.94 -39.38 79.6 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.189 -0.944 . . . . 0.0 109.419 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.55 -45.76 74.72 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 111.495 -178.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.28 -35.4 62.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.034 -1.042 . . . . 0.0 110.148 -178.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -60.09 -40.01 88.14 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.498 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 4.1 m -54.36 -37.81 65.37 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.0 87.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.492 -0.755 . . . . 0.0 109.41 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 t -60.21 -38.63 83.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 0.0 109.522 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.665 ' HE2' ' HE2' ' B' ' 15' ' ' HIS . 43.3 t-80 -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.222 -179.714 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.68 -41.14 97.15 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.676 179.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -77.51 -40.0 44.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.47 -0.769 . . . . 0.0 109.547 179.169 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.071 0.462 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 49.8 20.1 0.51 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.015 -1.053 . . . . 0.0 109.682 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -74.2 -5.81 44.12 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.622 -0.674 . . . . 0.0 109.895 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.4 tp -43.98 -24.51 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.652 -0.655 . . . . 0.0 110.343 -178.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.2 tt0 -67.15 -40.17 86.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.572 -1.33 . . . . 0.0 109.14 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.43 -39.97 74.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.587 -0.696 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.01 93.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 110.995 -178.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.5 mtt -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.951 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.22 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.293 -0.88 . . . . 0.0 111.457 -178.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.99 -40.04 87.82 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.42 -37.3 77.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.357 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.03 -46.9 87.98 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.006 -1.058 . . . . 0.0 111.116 -178.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -39.02 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.927 -1.108 . . . . 0.0 109.618 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.536 ' CE1' ' OG ' ' B' ' 18' ' ' SER . 35.6 t80 -56.36 -39.96 73.74 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.421 -1.424 . . . . 0.0 108.587 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.665 ' HE2' ' HE2' ' A' ' 85' ' ' HIS . 31.6 m170 -69.69 -22.06 63.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.205 -0.935 . . . . 0.0 109.318 179.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.99 -43.53 95.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.127 -0.983 . . . . 0.0 110.397 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.53 ' HH ' ' CA ' ' B' ' 39' ' ' GLU . 64.4 m-85 -97.11 -36.34 10.51 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.767 -1.208 . . . . 0.0 112.293 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.536 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 54.8 m -59.97 -40.05 87.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.984 -1.072 . . . . 0.0 111.193 -177.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -4.28 67.43 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -70.24 -45.6 66.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.775 -1.426 . . . . 0.0 110.528 -179.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.48 161.13 17.71 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.517 -0.739 . . . . 0.0 110.312 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -45.87 -23.45 1.03 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.6 m-20 -72.17 58.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.962 -1.316 . . . . 0.0 108.319 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 22' ' ' GLY . 51.1 mtmt -66.6 -40.04 88.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.774 . . . . 0.0 110.799 -178.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.415 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 85.6 t60 -87.78 -7.33 57.44 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.009 -1.057 . . . . 0.0 111.434 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 14.2 ptpt -144.95 167.75 21.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.787 -1.196 . . . . 0.0 109.684 -179.311 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -120.52 127.27 52.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.6 tttp -92.25 149.42 21.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.3 pttm -45.06 -22.81 0.11 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.924 0.869 . . . . 0.0 108.906 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.6 t -79.86 -50.17 10.88 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.268 0.556 . . . . 0.0 109.759 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.466 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 60.7 tt0 -68.63 -34.03 75.04 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.657 -0.652 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.439 ' NZ ' ' OE1' ' B' ' 50' ' ' GLN . 88.1 tttt -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.835 -179.172 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -61.27 -39.99 92.44 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.441 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.8 tt -60.79 -49.31 78.02 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.477 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.99 -46.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.32 -0.863 . . . . 0.0 112.166 -178.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.523 HD21 ' N ' ' B' ' 37' ' ' ASN . 1.3 m-80 -69.98 -40.03 75.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 112.693 -176.637 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.43 -38.52 10.0 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.165 -0.959 . . . . 0.0 112.473 -176.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.53 ' CA ' ' HH ' ' B' ' 17' ' ' TYR . 24.9 tt0 -67.53 -40.06 85.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.474 -1.391 . . . . 0.0 108.898 -178.545 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.8 63.62 1.22 Allowed 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -59.92 -40.07 87.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 -179.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -135.8 -17.09 1.7 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.233 -0.917 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.83 -40.94 97.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.062 -1.023 . . . . 0.0 110.069 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -131.19 153.19 49.7 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.19 114.16 2.49 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.656 -1.217 . . . . 0.0 108.976 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 31.0 mt-10 -56.75 166.32 0.99 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.726 0.774 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.52 139.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -108.6 -14.36 14.64 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.544 -0.723 . . . . 0.0 109.989 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.8 148.99 47.5 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.986 . . . . 0.0 110.883 -179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.439 ' OE1' ' NZ ' ' B' ' 33' ' ' LYS . 9.5 mm100 -69.38 -24.82 63.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.071 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.0 pt-20 -60.91 -39.98 91.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.438 -0.789 . . . . 0.0 110.692 -178.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 93.2 t -60.08 -39.98 81.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 108.583 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.16 -36.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -67.48 -35.08 78.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 109.917 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.69 -40.02 80.26 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.01 -35.14 72.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -69.97 -26.15 63.96 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 20.9 m -82.71 -38.24 23.62 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 178.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 0.8 OUTLIER -87.37 -18.11 30.79 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.093 -1.004 . . . . 0.0 110.855 -177.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.7 t0 -80.91 61.28 4.46 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 178.662 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.5 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 57.9 mt-10 -60.04 -40.14 88.33 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.691 -177.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -84.7 -2.78 58.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.989 -1.07 . . . . 0.0 108.964 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 34.65 88.1 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.382 178.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 45.4 p-10 -105.05 -0.41 26.79 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.076 -1.25 . . . . 0.0 109.996 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.538 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.16 4.45 86.43 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 30.9 mt-10 -137.96 133.53 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.584 -0.95 . . . . 0.0 108.462 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.49 122.24 38.02 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.128 -0.982 . . . . 0.0 108.705 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -78.0 170.59 16.36 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -178.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 3.2 t80 -44.72 -43.86 8.77 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -62.21 -50.03 73.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.519 -0.738 . . . . 0.0 110.307 179.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 49.0 mt-10 -61.65 -40.03 93.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.23 -0.919 . . . . 0.0 110.641 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -68.78 -29.0 67.28 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.91 -1.119 . . . . 0.0 109.358 179.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.498 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -59.97 -39.54 85.97 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.49 -179.175 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -70.01 -33.38 71.94 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.785 -1.197 . . . . 0.0 110.063 -179.562 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.06 -40.01 87.99 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.861 -1.149 . . . . 0.0 110.598 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -34.39 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.504 -0.748 . . . . 0.0 110.055 -178.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 3.2 p -69.02 -39.08 79.48 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.231 -0.918 . . . . 0.0 109.465 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.9 mtp -68.0 -45.66 73.44 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 111.487 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.97 -35.55 64.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.138 -0.976 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.4 m -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.562 ' CG2' ' HZ2' ' Y' ' 111' ' ' LYS . 4.2 m -54.57 -37.6 65.67 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.42 178.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 t -59.99 -39.04 84.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.574 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.664 ' HE2' ' HE2' ' A' ' 15' ' ' HIS . 43.9 t-80 -60.05 -40.54 89.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.102 -0.999 . . . . 0.0 109.08 -179.344 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.36 -41.33 96.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.173 -0.954 . . . . 0.0 108.677 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -77.48 -39.99 44.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.625 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.466 ' HD1' ' CE ' ' X' ' 109' ' ' MET . 10.0 t-80 -59.4 -30.43 68.45 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.365 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.93 -34.3 73.04 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 47.7 mtmt -59.91 -39.32 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.376 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 41.4 tp -70.05 -25.54 63.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.713 178.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.466 ' CE ' ' HD1' ' X' ' 105' ' ' HIS . 59.5 mtt -66.41 -24.47 66.47 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.809 -1.182 . . . . 0.0 110.061 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.72 -34.48 5.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 108.869 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -73.77 -39.55 64.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.145 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.434 ' N ' ' O ' ' X' ' 109' ' ' MET . 72.7 p -60.04 -32.21 70.7 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.526 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 . 179.746 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.447 ' HD1' ' CE ' ' Y' ' 109' ' ' MET . 10.1 t-80 -59.32 -30.35 68.29 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.98 -34.29 73.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.402 -0.811 . . . . 0.0 108.955 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 48.8 mtmt -59.8 -39.33 84.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.256 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.92 -25.92 63.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.555 -0.715 . . . . 0.0 109.687 178.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.447 ' CE ' ' HD1' ' Y' ' 105' ' ' HIS . 62.2 mtt -66.23 -24.42 66.6 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.839 -1.163 . . . . 0.0 110.089 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.61 -34.64 5.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.917 -1.114 . . . . 0.0 108.902 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.581 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -73.51 -40.01 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.165 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 71.6 p -59.98 -31.51 69.97 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.642 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 0.0 . 179.738 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 2' ' ' GLU . 52.8 tpp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 3' ' ' LEU . 67.6 m 52.5 8.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.3 pt-20 -75.7 22.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.272 -0.893 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 1' ' ' SER . 2.3 tm? -60.04 -37.51 80.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.315 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -61.77 -38.98 90.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.431 -0.793 . . . . 0.0 109.868 179.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.96 -39.97 93.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.026 -1.046 . . . . 0.0 108.455 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.01 91.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.585 -0.697 . . . . 0.0 109.48 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.6 mtt -62.07 -40.05 94.47 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.875 0.845 . . . . 0.0 110.055 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.6 -37.81 80.33 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 O-C-N 121.819 -0.551 . . . . 0.0 110.02 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.35 80.47 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.441 -0.787 . . . . 0.0 111.467 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.01 -39.93 87.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.838 -1.164 . . . . 0.0 108.434 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.64 -40.0 81.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.626 -0.671 . . . . 0.0 110.963 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.83 -45.23 90.5 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.614 -1.304 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.02 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.094 -1.003 . . . . 0.0 110.659 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CD2' ' CD1' ' A' ' 70' ' ' PHE . 87.0 t80 -60.02 -39.62 86.45 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.86 -1.15 . . . . 0.0 108.967 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.82 -27.12 68.02 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.098 -1.001 . . . . 0.0 110.016 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.0 -41.86 92.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 110.651 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -96.69 -33.56 11.69 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.76 -1.212 . . . . 0.0 112.492 -178.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -64.65 -39.95 94.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.903 -1.123 . . . . 0.0 111.057 -178.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 -9.58 86.88 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.559 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 79.7 tt0 -94.48 -3.03 50.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 109.081 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.71 -6.81 79.91 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -82.52 69.77 9.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.838 -1.389 . . . . 0.0 108.402 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -70.01 -42.21 73.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.883 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -79.03 -13.75 59.59 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.054 -1.029 . . . . 0.0 111.32 -178.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 65' ' ' ASP . 44.1 tttt -141.68 159.95 41.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.822 -1.174 . . . . 0.0 109.46 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.02 129.86 54.45 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' A' ' 30' ' ' SER . 35.4 ttpt -102.98 140.46 37.22 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.891 -1.13 . . . . 0.0 109.544 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -38.96 -23.38 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.413 0.625 . . . . 0.0 109.82 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.7 m -72.7 -54.57 8.62 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.425 -178.167 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 21' ' ' GLU . 61.7 mt-10 -67.31 -28.68 68.2 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.999 -1.063 . . . . 0.0 108.215 179.195 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.08 -48.42 81.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.439 -0.788 . . . . 0.0 109.55 179.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 64.5 tttm -61.32 -39.97 92.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.143 -0.973 . . . . 0.0 110.758 -179.093 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.35 -36.51 83.93 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 109.26 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.92 -50.0 65.96 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.031 -1.043 . . . . 0.0 108.829 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.56 -48.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.536 -0.727 . . . . 0.0 111.382 -177.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.03 -38.7 66.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.883 -1.136 . . . . 0.0 112.296 -177.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 2.0 m120 -98.35 -36.44 9.99 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.427 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 24.3 tt0 -83.0 -13.27 56.26 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.24 -1.538 . . . . 0.0 109.95 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 5.1 mt -143.13 45.21 1.55 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.951 . . . . 0.0 109.073 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -60.0 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.192 -0.943 . . . . 0.0 110.397 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -100.34 -12.51 19.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.152 -0.967 . . . . 0.0 110.373 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.92 -9.92 54.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.087 -1.008 . . . . 0.0 109.476 -179.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.28 170.17 21.26 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -68.79 119.5 13.26 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.698 -1.201 . . . . 0.0 108.462 179.397 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.49 144.08 56.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -89.69 135.3 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.094 -1.004 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -108.61 -24.66 11.26 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.371 -0.831 . . . . 0.0 109.775 -178.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -124.09 149.79 45.77 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.835 0.826 . . . . 0.0 111.06 -178.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 14.0 mm100 -69.99 -21.7 63.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.181 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.42 -40.06 89.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 111.038 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.06 -40.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.887 -1.133 . . . . 0.0 108.518 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.64 -32.79 58.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.25 -34.24 72.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.819 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.04 -40.0 75.41 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.17 -34.33 69.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -60.58 -39.97 89.98 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.105 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -53.84 -38.89 65.12 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.167 -1.583 . . . . 0.0 107.471 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 m -80.01 -45.95 17.48 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.884 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 21.6 mt -90.06 -15.78 31.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.816 -1.177 . . . . 0.0 110.819 -178.246 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.4 t0 -81.42 62.03 5.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -38.71 83.22 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.76 -13.18 60.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.85 30.7 73.6 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.205 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 26' ' ' LYS . 34.6 p-10 -107.6 7.69 28.78 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.097 -1.237 . . . . 0.0 109.73 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 7.49 88.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.0 mt-10 -139.95 131.85 27.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.38 46.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.144 -0.973 . . . . 0.0 108.914 -179.612 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 54.8 t0 -61.89 157.94 17.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.101 -0.999 . . . . 0.0 109.063 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.3 t80 -46.82 -38.95 11.01 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.306 -0.872 . . . . 0.0 108.816 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.2 -37.04 77.91 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.408 -0.807 . . . . 0.0 110.029 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 42.9 mt-10 -61.71 -42.91 99.58 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.728 -1.232 . . . . 0.0 109.994 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -63.39 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.083 . . . . 0.0 109.006 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 89.3 mtp -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.666 -0.646 . . . . 0.0 110.519 -178.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.79 73.01 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.69 -1.256 . . . . 0.0 110.167 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.96 -32.31 70.69 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.8 t -61.28 -40.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.475 ' HG ' ' N ' ' B' ' 75' ' ' ALA . 26.6 t -66.07 -39.99 90.5 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.501 -0.749 . . . . 0.0 110.171 -178.486 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtp -68.56 -43.05 77.42 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.183 -0.948 . . . . 0.0 112.084 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.31 -30.6 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.769 -1.207 . . . . 0.0 109.985 -178.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.6 m -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.9 m -60.01 -39.72 86.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.85 86.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.02 -34.94 74.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.379 -0.825 . . . . 0.0 109.511 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.19 -39.2 81.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.974 . . . . 0.0 108.752 -179.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.93 -40.04 87.58 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.3 -23.27 23.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.156 -0.965 . . . . 0.0 110.374 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.014 -1.054 . . . . 0.0 109.077 -179.404 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.499 ' C ' ' H ' ' B' ' 2' ' ' GLU . 53.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.521 ' C ' ' H ' ' B' ' 3' ' ' LEU . 62.9 m 52.16 8.42 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.338 -0.851 . . . . 0.0 109.914 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' B' ' 0' ' ' MET . 18.5 pt-20 -75.87 22.37 0.15 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 108.97 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' B' ' 1' ' ' SER . 2.3 tm? -59.95 -37.9 80.89 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -61.25 -39.53 90.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.462 -0.774 . . . . 0.0 109.88 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.54 -40.0 93.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.037 -1.04 . . . . 0.0 108.533 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.97 91.99 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.566 -0.709 . . . . 0.0 109.48 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.6 mtt -62.26 -39.94 94.54 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.56 -37.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.72 -0.613 . . . . 0.0 110.046 -179.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.49 81.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -0.835 . . . . 0.0 111.508 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.841 -1.162 . . . . 0.0 108.448 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.69 -39.94 80.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.691 -0.631 . . . . 0.0 110.997 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.79 -45.36 90.05 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.617 -1.302 . . . . 0.0 111.78 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -40.04 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.114 -0.992 . . . . 0.0 110.72 -178.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' B' ' 70' ' ' PHE . 87.5 t80 -59.94 -39.78 86.73 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 109.068 -179.171 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -65.57 -27.17 68.24 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.157 -0.964 . . . . 0.0 110.108 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -41.87 92.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.993 -1.067 . . . . 0.0 110.583 -178.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -96.71 -34.01 11.52 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.781 -1.199 . . . . 0.0 112.484 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -64.19 -40.05 95.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.837 -1.164 . . . . 0.0 111.038 -178.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -9.84 86.66 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.357 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -1.191 . . . . 0.0 109.521 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 79.5 tt0 -94.56 -3.12 50.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.473 -0.767 . . . . 0.0 109.005 -179.689 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.77 -6.74 79.74 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 26' ' ' LYS . 91.5 m-20 -82.46 69.7 9.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.888 -1.36 . . . . 0.0 108.466 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -69.95 -42.41 73.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.305 -0.872 . . . . 0.0 110.868 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -78.92 -13.84 59.57 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.111 -0.993 . . . . 0.0 111.304 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' B' ' 65' ' ' ASP . 45.9 tttt -141.63 160.0 41.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.805 -1.184 . . . . 0.0 109.441 -179.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.07 129.8 54.38 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -178.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' B' ' 30' ' ' SER . 35.2 ttpt -103.0 140.55 37.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.939 -1.101 . . . . 0.0 109.498 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -39.01 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.499 0.666 . . . . 0.0 109.84 -179.897 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.8 m -72.98 -54.16 9.32 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.575 -178.25 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' B' ' 21' ' ' GLU . 61.3 mt-10 -67.67 -28.46 67.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.974 -1.079 . . . . 0.0 108.105 179.103 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.99 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.536 -0.727 . . . . 0.0 109.593 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.411 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 64.5 tttm -61.23 -39.99 92.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.224 -0.923 . . . . 0.0 110.762 -178.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.48 -36.35 83.45 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.115 -0.99 . . . . 0.0 109.239 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.97 -50.01 65.84 Favored 'General case' 0 C--N 1.289 -2.038 0 O-C-N 121.117 -0.989 . . . . 0.0 108.846 178.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.41 -49.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 111.348 -178.05 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.72 -38.89 67.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.968 -1.082 . . . . 0.0 112.343 -177.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.506 ' N ' ' ND2' ' B' ' 38' ' ' ASN . 2.1 m120 -98.26 -36.85 9.89 Favored 'General case' 0 N--CA 1.506 2.333 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' B' ' 40' ' ' LEU . 24.0 tt0 -82.45 -13.48 56.69 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.241 -1.537 . . . . 0.0 110.029 -177.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' B' ' 39' ' ' GLU . 5.3 mt -143.05 45.1 1.57 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.156 -0.965 . . . . 0.0 109.046 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.7 t -60.06 -49.89 75.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.168 -0.958 . . . . 0.0 110.403 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -100.18 -12.3 19.71 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.164 -0.96 . . . . 0.0 110.472 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -87.16 -10.07 53.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.0 -1.062 . . . . 0.0 109.45 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.04 170.45 20.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -68.95 119.57 13.47 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.779 -1.201 . . . . 0.0 108.434 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 144.29 56.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -89.91 135.31 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.13 -0.981 . . . . 0.0 108.914 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -108.52 -24.73 11.27 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.395 -0.815 . . . . 0.0 109.917 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.17 149.92 45.77 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.763 0.792 . . . . 0.0 110.94 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.9 mm100 -69.98 -21.77 63.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.132 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.41 -39.94 89.18 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.478 -0.764 . . . . 0.0 111.048 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.01 -40.04 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.904 -1.123 . . . . 0.0 108.5 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.8 -32.66 57.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 122.001 -0.437 . . . . 0.0 109.884 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.33 -34.22 72.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.367 -0.833 . . . . 0.0 109.688 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -69.97 -39.99 75.64 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.47 -33.95 67.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -60.78 -40.05 91.12 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.026 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -53.73 -38.87 64.77 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.178 -1.576 . . . . 0.0 107.503 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -79.98 -46.12 17.23 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.863 -179.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 22.0 mt -89.88 -15.63 31.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.835 -1.166 . . . . 0.0 110.916 -178.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.6 t0 -81.51 61.57 5.0 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.71 -38.51 81.8 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -73.75 -13.44 60.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.33 30.1 73.22 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' B' ' 26' ' ' LYS . 34.8 p-10 -107.47 7.92 29.17 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.13 -1.218 . . . . 0.0 109.883 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.96 7.39 88.55 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.446 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.0 mt-10 -139.92 131.91 27.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.24 46.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.204 -0.935 . . . . 0.0 108.904 -179.528 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 55.2 t0 -61.81 158.1 16.62 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.995 -1.066 . . . . 0.0 109.085 -179.261 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.3 t80 -46.89 -38.9 11.16 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 108.938 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 110.015 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 42.9 mt-10 -61.56 -42.8 99.37 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.718 -1.239 . . . . 0.0 110.011 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.54 -38.35 90.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.999 -1.063 . . . . 0.0 108.936 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 89.2 mtp -59.96 -38.85 83.69 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.568 -0.708 . . . . 0.0 110.505 -178.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.475 ' N ' ' HG ' ' A' ' 78' ' ' SER . . . -62.99 -31.87 73.1 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.741 -1.224 . . . . 0.0 110.13 -179.173 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.94 -32.37 70.72 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.454 ' O ' ' OG1' ' B' ' 81' ' ' THR . 11.0 t -61.36 -40.08 84.96 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.409 0.624 . . . . 0.0 110.066 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.0 t -65.96 -40.0 90.91 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.492 -0.755 . . . . 0.0 110.193 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtp -68.72 -43.17 76.54 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 112.064 -177.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.46 -30.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -178.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 93.9 m -60.31 -40.04 89.16 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.521 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.5 m -59.98 -39.54 86.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.99 87.21 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 88' ' ' PHE . 18.0 m -59.99 -34.93 73.98 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.804 . . . . 0.0 109.5 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.078 -1.014 . . . . 0.0 108.834 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.342 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -88.25 -23.33 23.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.192 -0.943 . . . . 0.0 110.387 -179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 84' ' ' CYS . 5.3 m-85 . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.086 -1.009 . . . . 0.0 109.02 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.457 ' O ' ' SD ' ' X' ' 109' ' ' MET . 75.7 t60 -59.98 -39.94 87.41 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.556 -0.715 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.03 -31.04 69.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.259 -0.901 . . . . 0.0 108.793 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.494 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 48.9 tttm -59.67 -37.62 79.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.711 -1.243 . . . . 0.0 107.683 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.98 -27.41 66.56 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.716 -0.615 . . . . 0.0 110.056 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -62.49 -24.72 67.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.649 -1.282 . . . . 0.0 109.998 179.706 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.645 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.7 -36.94 26.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.696 -1.253 . . . . 0.0 109.471 -179.198 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.645 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -72.32 -39.04 68.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.166 -0.959 . . . . 0.0 109.505 179.227 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' X' ' 109' ' ' MET . 67.7 p -58.92 -27.47 65.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.007 -1.058 . . . . 0.0 108.61 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.586 -0.696 . . . . 0.0 . 179.466 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.467 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 77.1 t60 -59.97 -40.02 87.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 109.359 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.77 -31.3 69.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 108.742 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 53.0 tttm -59.44 -37.96 79.45 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.209 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.8 -27.41 66.72 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.721 -0.612 . . . . 0.0 110.0 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.57 -24.76 67.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.67 -1.269 . . . . 0.0 109.976 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.71 -36.88 26.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.492 -179.202 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -72.54 -38.15 68.07 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 179.284 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 77.1 p -59.99 -27.38 66.8 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.474 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.546 -0.721 . . . . 0.0 . 179.397 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.408 ' H3 ' ' H ' ' A' ' 1' ' ' SER . 96.8 mmm . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 60.58 18.07 8.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.45 -0.781 . . . . 0.0 109.195 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.27 14.03 0.49 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 1' ' ' SER . 53.9 tp -59.93 -37.28 79.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.586 -0.696 . . . . 0.0 110.906 -178.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.09 86.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.3 mppt? -69.95 -37.45 75.83 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.55 85.16 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.723 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.1 mtt -62.91 -39.89 95.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.02 -39.9 86.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.66 93.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.948 -0.47 . . . . 0.0 111.319 -178.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.32 -40.03 85.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.661 -1.274 . . . . 0.0 108.127 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.89 -38.78 79.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.739 -0.6 . . . . 0.0 110.694 -179.474 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.1 -45.6 92.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.856 -1.152 . . . . 0.0 111.293 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -39.71 77.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 121.77 0.795 . . . . 0.0 110.256 -177.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.54 -39.9 85.45 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.54 -25.15 67.32 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.278 -0.889 . . . . 0.0 110.417 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -62.22 -42.96 99.78 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.607 -1.308 . . . . 0.0 109.73 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -89.68 -41.7 11.78 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.809 -1.182 . . . . 0.0 112.166 -179.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -62.52 -41.77 99.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.986 -1.071 . . . . 0.0 111.065 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -7.18 88.75 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' NH1' ' CD ' ' A' ' 34' ' ' GLU . 43.2 ttm180 -60.13 -47.05 87.55 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.199 -1.177 . . . . 0.0 109.449 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.02 174.8 5.9 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.586 0.708 . . . . 0.0 110.059 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -49.33 -26.93 7.26 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.633 -0.667 . . . . 0.0 111.867 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.4 m-20 -68.01 48.33 0.05 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.551 -1.558 . . . . 0.0 109.492 -179.285 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 22' ' ' GLY . 9.9 ttmm -63.81 -40.91 97.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.11 -0.993 . . . . 0.0 111.101 -179.269 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -91.35 2.91 56.05 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.989 -1.069 . . . . 0.0 111.089 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 37.4 pttt -148.62 160.21 43.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.85 -1.156 . . . . 0.0 109.78 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.29 122.74 48.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.2 tttp -102.23 144.16 31.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.61 -1.306 . . . . 0.0 110.153 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.655 ' HZ3' ' N ' ' A' ' 54' ' ' ASP . 53.3 tttp -39.29 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.451 0.644 . . . . 0.0 109.38 178.571 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.5 m -77.94 -49.96 13.12 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mt-10 -64.03 -34.69 78.59 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.86 -44.69 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.709 -0.619 . . . . 0.0 109.514 -179.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -66.05 -39.56 90.23 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.245 -0.909 . . . . 0.0 111.518 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.501 ' CD ' ' NH1' ' A' ' 20' ' ' ARG . 20.9 tt0 -69.04 -31.77 70.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.817 -1.177 . . . . 0.0 109.398 -177.17 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.1 tt -68.51 -51.6 41.3 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.14 -0.975 . . . . 0.0 108.388 178.083 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.84 -46.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 O-C-N 121.511 -0.743 . . . . 0.0 111.198 -178.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.1 -40.15 75.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.952 -1.093 . . . . 0.0 112.121 -178.078 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -36.88 9.88 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -81.32 -12.13 59.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.335 -1.478 . . . . 0.0 109.653 -178.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -139.0 56.01 1.7 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.337 -0.852 . . . . 0.0 108.788 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 m -60.13 -40.14 88.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -0.818 . . . . 0.0 110.58 -179.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -125.22 -20.71 4.78 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.419 -0.8 . . . . 0.0 110.745 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -66.77 -38.44 86.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.786 -1.196 . . . . 0.0 109.508 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.9 tp -126.32 158.17 36.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -53.07 109.22 0.4 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.034 -1.041 . . . . 0.0 109.03 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.85 140.77 56.37 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -102.21 131.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.267 -0.896 . . . . 0.0 109.482 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -109.42 -20.76 12.79 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.425 -0.797 . . . . 0.0 110.556 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 57.4 mp0 -110.83 143.27 41.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.052 -1.03 . . . . 0.0 110.612 -178.733 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -69.88 -20.05 63.4 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.85 -38.93 92.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -0.893 . . . . 0.0 111.064 -178.083 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.87 -38.52 82.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 109.055 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' HB ' ' HZ1' ' A' ' 29' ' ' LYS . 47.0 t -69.41 -34.6 63.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.704 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.655 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . 46.2 t0 -66.59 -38.26 86.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.274 -0.891 . . . . 0.0 109.459 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 79.9 tttt -67.6 -39.94 84.76 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.65 -33.84 65.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.8 mmm -68.93 -31.5 70.43 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.82 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -55.37 -36.67 66.6 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 119.87 -1.769 . . . . 0.0 106.697 178.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.2 m -79.76 -46.5 16.9 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.4 mt -87.28 -14.83 39.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.832 -1.167 . . . . 0.0 110.695 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.5 t0 -80.79 58.36 3.31 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.362 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.514 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 74.6 mt-10 -58.05 -39.53 78.69 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.097 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.38 -16.56 62.98 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 28.6 73.07 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 47.1 p-10 -107.87 10.14 28.65 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.305 -1.115 . . . . 0.0 110.185 -179.691 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 75.22 6.55 80.2 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 84.9 mt-10 -134.32 133.05 40.27 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.58 124.9 48.98 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 42.0 t0 -62.91 161.66 12.5 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.429 -179.484 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.7 p90 -54.32 -31.32 53.96 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -62.3 -45.52 92.87 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.756 0.788 . . . . 0.0 109.037 177.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 36.9 mt-10 -64.73 -40.12 94.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.326 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.02 -28.71 67.65 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.003 -1.06 . . . . 0.0 109.153 179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -38.56 82.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.36 -0.837 . . . . 0.0 109.482 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -68.94 -33.61 74.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.964 -1.085 . . . . 0.0 110.433 -178.516 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.9 -40.05 87.47 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.02 -1.05 . . . . 0.0 109.709 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -37.81 76.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.754 -0.591 . . . . 0.0 110.43 -179.067 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 22.7 p -64.11 -40.05 95.38 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.232 -178.541 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mtm -71.45 -44.09 65.46 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.364 -178.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.62 -36.85 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.65 -1.281 . . . . 0.0 110.37 -178.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.4 m -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.2 -40.75 61.98 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.0 84.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -0.936 . . . . 0.0 108.925 178.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 m -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.78 . . . . 0.0 109.4 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -59.82 -40.12 87.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.133 -0.979 . . . . 0.0 109.21 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.08 -39.9 87.69 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.2 -37.98 27.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.584 -0.698 . . . . 0.0 109.765 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.301 -1.519 0 O-C-N 121.535 -0.728 . . . . 0.0 109.253 -179.118 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.511 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 59.98 18.62 7.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.17 -0.956 . . . . 0.0 109.215 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -74.88 14.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' B' ' 1' ' ' SER . 51.8 tp -59.92 -37.61 79.97 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.58 -0.7 . . . . 0.0 110.78 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -39.72 86.78 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.942 -1.099 . . . . 0.0 110.561 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.438 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.4 mppt? -69.85 -36.9 75.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.139 -0.976 . . . . 0.0 109.857 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.08 81.61 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.215 -0.928 . . . . 0.0 110.741 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.3 mtt -63.07 -39.99 96.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.831 -1.168 . . . . 0.0 108.767 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.51 -39.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.89 92.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.761 -0.587 . . . . 0.0 111.373 -178.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.79 -39.92 86.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.65 -1.281 . . . . 0.0 108.116 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.81 -39.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.793 -0.567 . . . . 0.0 110.453 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.7 -46.54 90.01 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.921 -1.112 . . . . 0.0 111.47 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -39.2 77.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 CA-C-O 121.796 0.807 . . . . 0.0 110.534 -177.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.86 -39.9 86.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.306 -0.871 . . . . 0.0 108.993 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.59 -25.19 67.29 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.41 -42.52 99.5 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.597 -1.314 . . . . 0.0 109.797 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -89.83 -42.3 11.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.706 -1.246 . . . . 0.0 112.09 -179.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -61.67 -42.59 99.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.014 -1.054 . . . . 0.0 111.071 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.87 -6.73 88.98 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.504 ' NH1' ' CD ' ' B' ' 34' ' ' GLU . 43.1 ttm180 -60.02 -47.22 86.74 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.222 -1.164 . . . . 0.0 109.407 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.95 174.69 5.96 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 121.624 0.726 . . . . 0.0 110.082 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.24 -26.89 6.96 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.613 -0.679 . . . . 0.0 111.776 -178.632 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' B' ' 26' ' ' LYS . 95.9 m-20 -67.75 46.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.61 -1.524 . . . . 0.0 109.469 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' B' ' 22' ' ' GLY . 13.2 ttmm -62.93 -41.03 99.34 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.083 -1.01 . . . . 0.0 111.083 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -90.64 1.89 56.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.235 -178.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.4 pttt -147.82 160.3 42.91 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.877 -1.139 . . . . 0.0 109.987 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.31 122.81 48.16 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' B' ' 30' ' ' SER . 59.1 tttp -102.69 144.1 31.5 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.547 -1.346 . . . . 0.0 110.116 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.675 ' HZ2' ' N ' ' B' ' 54' ' ' ASP . 53.2 tttp -39.1 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.424 0.63 . . . . 0.0 109.359 178.671 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.552 ' N ' ' O ' ' B' ' 28' ' ' LYS . 57.8 m -77.81 -49.11 14.98 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 28' ' ' LYS . 56.4 mt-10 -64.31 -35.36 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.96 -44.59 94.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.735 -0.603 . . . . 0.0 109.412 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -65.87 -39.88 91.12 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.202 -0.936 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.504 ' CD ' ' NH1' ' B' ' 20' ' ' ARG . 17.5 tt0 -68.71 -31.84 71.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.887 -1.133 . . . . 0.0 109.413 -177.128 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 6.9 tt -68.42 -51.72 40.72 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.232 -0.918 . . . . 0.0 108.603 178.3 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.415 HD12 HG23 ' B' ' 36' ' ' ILE . 86.3 mt -68.07 -45.98 82.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 111.023 -177.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -69.99 -40.14 75.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.955 -1.091 . . . . 0.0 112.1 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.65 -36.39 9.88 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.017 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -81.27 -12.48 59.08 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.217 -1.552 . . . . 0.0 109.535 -178.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mt -138.57 56.13 1.72 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.6 m -60.16 -40.0 88.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 110.641 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -125.6 -20.05 4.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.437 -0.79 . . . . 0.0 110.755 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.1 -38.47 85.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.81 -1.181 . . . . 0.0 109.442 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 49.1 tp -126.35 158.14 36.64 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -53.08 109.34 0.41 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.128 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.92 140.74 56.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.417 HG21 HD11 ' B' ' 47' ' ' ILE . 60.6 mt -102.13 131.01 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.296 -0.877 . . . . 0.0 109.583 -178.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -108.71 -20.87 12.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.457 -0.777 . . . . 0.0 110.548 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.3 mp0 -111.24 143.27 42.27 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.124 -0.985 . . . . 0.0 110.781 -178.664 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.407 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . 5.1 mm100 -69.9 -20.09 63.38 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.12 -38.45 90.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 0.0 111.052 -178.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.2 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 109.009 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.5 t -69.07 -35.27 67.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.675 ' N ' ' HZ2' ' B' ' 29' ' ' LYS . 46.4 t0 -66.21 -38.34 87.72 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.655 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 82.1 tttt -67.57 -40.01 84.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -179.841 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.53 -33.31 62.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.9 mmm -69.46 -31.07 69.13 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.93 -179.595 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -55.88 -36.3 67.46 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 119.985 -1.697 . . . . 0.0 106.518 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -79.83 -46.35 17.05 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.3 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.3 mt -87.73 -14.99 38.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.849 -1.157 . . . . 0.0 110.793 -178.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.45 58.43 3.16 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.515 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 73.8 mt-10 -58.17 -39.24 78.38 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.57 -15.7 62.79 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 28.51 73.28 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.4 p-10 -108.1 10.2 28.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.207 -1.172 . . . . 0.0 110.022 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.472 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 74.68 6.66 78.05 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.638 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 86.2 mt-10 -134.09 132.99 40.6 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.36 124.35 47.78 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.058 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.5 t0 -61.95 162.05 9.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.121 -0.987 . . . . 0.0 108.459 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.446 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 p90 -55.33 -30.46 60.28 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -62.76 -45.74 91.27 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.731 0.777 . . . . 0.0 108.921 177.346 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.515 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 36.4 mt-10 -64.46 -40.12 95.1 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.18 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -67.43 -29.17 68.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.878 -1.139 . . . . 0.0 109.355 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -38.82 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.567 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.455 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.42 -33.39 74.13 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.25 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -60.04 -40.0 87.87 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.0 -1.063 . . . . 0.0 109.732 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -37.32 75.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.799 -0.563 . . . . 0.0 110.406 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 19.2 p -64.86 -40.23 94.81 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.066 -1.021 . . . . 0.0 110.008 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.72 -45.04 65.62 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.079 -1.048 . . . . 0.0 111.292 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.88 -36.96 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.455 -1.403 . . . . 0.0 110.476 -178.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -39.92 87.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 108.209 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -40.6 62.68 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.32 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.39 84.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 108.828 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.97 -39.05 84.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 0.0 109.473 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.82 -40.19 87.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.073 -1.017 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.61 86.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -81.42 -38.38 26.6 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.578 0.704 . . . . 0.0 109.785 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.301 -1.53 0 O-C-N 121.62 -0.675 . . . . 0.0 109.255 -179.005 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.334 0.588 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.552 ' NE2' ' NZ ' ' A' ' 55' ' ' LYS . 19.3 p-80 -58.02 -39.66 78.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.914 -1.117 . . . . 0.0 109.187 -179.681 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 15.7 ttmt -58.64 -32.33 68.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.29 -0.881 . . . . 0.0 109.96 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -59.84 -48.32 82.16 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.153 -0.967 . . . . 0.0 109.361 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.457 ' CD1' ' HZ2' ' X' ' 111' ' ' LYS . 12.9 tp -70.0 -26.24 63.98 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.927 -1.108 . . . . 0.0 110.454 -179.659 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -58.38 -24.28 59.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.593 -1.317 . . . . 0.0 109.841 -179.725 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' X' ' 109' ' ' MET . 0.3 OUTLIER -40.25 -35.53 0.42 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.326 -0.859 . . . . 0.0 109.519 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.457 ' HZ2' ' CD1' ' X' ' 108' ' ' LEU . 8.6 mtmm -80.35 -37.34 32.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.239 -0.913 . . . . 0.0 109.427 177.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.516 ' N ' ' O ' ' X' ' 109' ' ' MET . 67.8 p -59.72 -30.86 69.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.808 -0.557 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.235 0.54 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.655 ' NE2' ' NZ ' ' B' ' 55' ' ' LYS . 20.4 p-80 -58.16 -39.57 79.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.951 -1.093 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 15.8 ttmt -58.53 -32.25 68.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.0 109.893 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -59.59 -48.71 80.59 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.342 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 12.3 tp -70.02 -25.65 63.68 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.993 -1.067 . . . . 0.0 110.396 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -24.31 62.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.475 -1.39 . . . . 0.0 109.857 -179.778 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' Y' ' 109' ' ' MET . 0.4 OUTLIER -39.91 -35.48 0.36 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.338 -0.851 . . . . 0.0 109.56 -179.386 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.454 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 9.0 mtmm -80.44 -37.43 32.01 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.266 -0.896 . . . . 0.0 109.532 177.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.512 ' N ' ' O ' ' Y' ' 109' ' ' MET . 72.1 p -60.11 -30.24 69.13 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.703 -0.623 . . . . 0.0 . 178.585 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.408 ' C ' ' H ' ' A' ' 2' ' ' GLU . 27.6 ttt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 50.8 14.67 0.19 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 109.647 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 0' ' ' MET . 97.8 mt-10 -75.93 17.41 0.33 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.141 -0.974 . . . . 0.0 108.879 178.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.8 OUTLIER -65.41 -29.42 70.12 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.683 -179.049 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -72.68 -36.41 67.88 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.028 -1.045 . . . . 0.0 110.063 -179.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -34.01 67.29 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.202 -0.936 . . . . 0.0 108.648 -179.122 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.26 71.66 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.9 -0.5 . . . . 0.0 111.275 -178.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.7 mtt -62.93 -39.91 96.02 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.898 -1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.17 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-O 121.381 0.61 . . . . 0.0 109.719 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.66 87.22 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.67 -0.644 . . . . 0.0 111.648 -178.496 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.95 -40.1 87.83 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.569 -1.332 . . . . 0.0 108.193 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.8 -37.65 78.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 O-C-N 121.848 -0.532 . . . . 0.0 110.354 179.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.05 -47.86 84.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.986 -1.071 . . . . 0.0 111.628 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -40.11 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.909 -1.119 . . . . 0.0 110.5 -178.245 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 71.5 t80 -58.36 -36.57 73.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 108.91 -179.49 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -69.79 -27.19 64.7 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.455 -0.778 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -60.31 -42.2 95.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.636 -1.29 . . . . 0.0 110.281 -179.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.98 -37.88 11.97 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.696 -1.253 . . . . 0.0 112.104 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.469 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 57.9 m -60.03 -40.0 87.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.981 -1.075 . . . . 0.0 110.303 -178.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.22 -8.09 88.04 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.04 -47.11 87.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.964 -1.315 . . . . 0.0 109.06 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 97.9 mt-10 -114.97 159.84 20.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.39 -15.09 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.5 57.92 0.74 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.726 -1.455 . . . . 0.0 109.807 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -68.55 -46.09 70.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.954 -1.091 . . . . 0.0 109.498 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.23 -19.98 49.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.565 -0.709 . . . . 0.0 111.432 -178.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.5 pttp -134.6 159.23 41.85 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.971 -1.081 . . . . 0.0 109.274 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.7 tp -120.06 130.83 54.87 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.358 -0.839 . . . . 0.0 108.756 -178.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 48.3 mtmt -94.08 153.49 18.11 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.697 -1.252 . . . . 0.0 110.032 -179.53 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -49.95 -22.9 1.71 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 47.3 t -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 41.0 mt-10 -60.21 -37.92 81.78 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.99 -41.7 92.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.913 -0.492 . . . . 0.0 109.756 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.87 -39.91 90.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.048 -1.033 . . . . 0.0 110.49 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.3 mp0 -65.53 -37.02 85.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.071 -1.018 . . . . 0.0 109.039 -179.042 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.53 -50.9 65.51 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.005 -1.059 . . . . 0.0 109.686 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.97 -43.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.511 -0.743 . . . . 0.0 111.998 -177.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.78 -39.96 76.33 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.35 -35.95 9.42 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -83.12 -10.81 58.47 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.092 -1.63 . . . . 0.0 110.224 -177.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mt -137.19 43.23 2.36 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.249 -0.907 . . . . 0.0 108.637 179.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -60.0 -40.94 90.94 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 111.749 -178.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -120.12 -22.17 6.75 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.124 -0.985 . . . . 0.0 110.455 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -68.24 -37.84 81.21 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 tp -131.89 160.16 36.53 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 7.2 pt-20 -52.63 110.63 0.53 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.995 -1.066 . . . . 0.0 108.956 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.75 135.15 57.49 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.413 -0.804 . . . . 0.0 108.907 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -80.52 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.706 -1.247 . . . . 0.0 107.658 178.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.88 -23.5 10.96 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.057 -177.018 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -123.66 141.87 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.955 0.883 . . . . 0.0 111.242 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.48 -29.19 68.91 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -39.96 88.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.376 -0.828 . . . . 0.0 110.735 -178.865 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.75 -39.84 83.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 120.641 -1.287 . . . . 0.0 108.33 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.01 -38.18 80.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 47.1 t0 -65.05 -36.97 86.04 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.467 0.651 . . . . 0.0 109.862 -179.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -67.57 -40.0 84.89 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -66.66 -34.19 68.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.618 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.9 mmm -70.57 -24.13 62.72 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -39.99 87.43 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 178.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.8 m -82.57 -36.86 25.84 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.417 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 1.6 mp -87.76 -18.8 28.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 110.694 -178.09 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -80.17 60.32 3.63 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.631 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 76.1 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.154 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.22 -12.69 60.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.79 29.16 72.65 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.5 p-10 -106.96 1.36 24.43 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.184 -1.186 . . . . 0.0 110.21 -179.431 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.0 5.55 89.52 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.256 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 68.7 mt-10 -134.67 136.92 43.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.716 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -103.39 129.23 50.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.923 -1.111 . . . . 0.0 108.522 179.75 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.3 t70 -73.7 170.1 15.95 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.643 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 11.1 t80 -50.98 -39.99 56.74 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -60.77 -49.94 75.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 0.0 110.094 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 41.7 mt-10 -61.45 -40.09 93.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.041 . . . . 0.0 110.43 -178.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.22 -35.41 80.98 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.527 ' SD ' ' O ' ' A' ' 74' ' ' MET . 4.7 tpp -59.81 -38.69 82.67 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.296 -178.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.47 68.05 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.484 -1.385 . . . . 0.0 110.809 -178.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -67.51 -26.03 66.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.996 -1.065 . . . . 0.0 110.574 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -31.89 17.95 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.293 -0.88 . . . . 0.0 108.664 -179.413 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -44.84 72.42 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.806 -0.559 . . . . 0.0 110.473 -178.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -42.19 73.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.533 -1.355 . . . . 0.0 111.344 -178.711 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.07 -35.11 74.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.861 -1.149 . . . . 0.0 109.283 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.89 -40.01 87.32 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.997 0.904 . . . . 0.0 108.669 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.11 -39.09 68.98 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.03 78.64 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.7 t -59.11 -35.81 74.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.586 -0.696 . . . . 0.0 109.449 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.83 -40.01 87.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.931 -1.106 . . . . 0.0 108.98 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.68 -39.91 95.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.679 179.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -84.03 -39.1 20.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.485 -0.759 . . . . 0.0 109.103 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' CYS . 3.0 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.422 ' C ' ' H ' ' B' ' 2' ' ' GLU . 28.3 ttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 50.99 14.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -0.934 . . . . 0.0 109.701 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 0' ' ' MET . 98.2 mt-10 -75.46 17.24 0.29 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.937 . . . . 0.0 108.859 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -64.86 -29.84 70.82 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 -179.195 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.25 -36.42 69.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.016 -1.052 . . . . 0.0 110.116 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -33.86 67.18 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.25 -0.907 . . . . 0.0 108.736 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.12 -43.24 71.41 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.885 -0.509 . . . . 0.0 111.235 -178.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.005 -1.059 . . . . 0.0 109.541 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.26 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.36 0.6 . . . . 0.0 109.58 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.71 87.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.683 . . . . 0.0 111.646 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.89 -40.03 87.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.49 -1.381 . . . . 0.0 108.235 -179.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.69 -37.88 79.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.84 -0.538 . . . . 0.0 110.411 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.04 -47.78 84.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.01 -1.056 . . . . 0.0 111.624 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.97 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.931 -1.106 . . . . 0.0 110.592 -178.29 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 71.1 t80 -58.45 -36.49 73.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.048 -1.033 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.9 -27.31 64.69 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.45 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -60.08 -42.42 94.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.643 -1.286 . . . . 0.0 110.244 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.71 -37.8 12.17 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 120.749 -1.22 . . . . 0.0 112.182 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 57.1 m -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 110.25 -178.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -8.01 88.08 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.95 -47.36 86.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.962 -1.316 . . . . 0.0 109.019 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -114.88 160.09 19.9 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.563 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.27 -15.27 0.04 OUTLIER Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.3 m-20 -74.7 58.06 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.635 -1.509 . . . . 0.0 109.825 -179.233 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.46 ' HZ1' ' CB ' ' B' ' 24' ' ' LYS . 1.3 ttmp? -68.75 -46.22 69.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.885 -1.134 . . . . 0.0 109.484 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -78.97 -19.98 50.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 111.412 -178.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.4 pttp -134.52 159.19 41.91 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.89 -1.131 . . . . 0.0 109.229 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -120.06 130.69 54.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 49.4 mtmt -93.67 153.34 18.42 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.645 -1.284 . . . . 0.0 110.203 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -49.95 -22.54 1.58 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 47.6 t -74.79 -54.05 8.04 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 41.1 mt-10 -60.13 -37.84 81.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.766 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.96 -40.05 91.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.192 -0.942 . . . . 0.0 110.404 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.3 mp0 -65.22 -36.85 85.43 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.12 -0.988 . . . . 0.0 109.151 -179.14 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.8 -50.66 65.87 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.893 -1.129 . . . . 0.0 109.836 179.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.07 -43.37 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.556 -0.715 . . . . 0.0 111.863 -177.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.466 -178.064 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.47 -35.57 9.51 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -83.22 -10.62 58.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.178 -1.576 . . . . 0.0 110.175 -177.527 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 mt -137.72 43.42 2.26 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -60.11 -41.01 91.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 111.616 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -119.96 -22.3 6.79 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.091 -1.006 . . . . 0.0 110.48 -179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -67.83 -38.16 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.076 -1.015 . . . . 0.0 109.49 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -131.71 160.17 36.27 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 7.1 pt-20 -52.54 110.29 0.49 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.994 -1.067 . . . . 0.0 108.864 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -61.61 135.08 57.51 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 108.962 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.5 139.64 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.652 -1.28 . . . . 0.0 107.805 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.438 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.61 -23.51 11.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.569 -0.707 . . . . 0.0 111.111 -176.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.74 141.64 51.84 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.995 0.902 . . . . 0.0 111.162 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.39 -29.24 68.83 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -39.84 87.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.287 -0.883 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -60.66 -40.04 83.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.719 -1.238 . . . . 0.0 108.361 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.09 -38.03 79.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 46.7 t0 -65.14 -36.57 84.68 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.545 0.688 . . . . 0.0 109.924 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.8 -40.02 83.95 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.74 -34.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.626 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.8 mmm -70.79 -24.17 62.53 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.435 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -40.03 87.46 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.0 m -82.56 -36.93 25.83 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.307 178.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 1.6 mp -87.79 -18.45 29.34 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.262 -0.899 . . . . 0.0 110.761 -178.079 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.626 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -80.41 60.35 3.79 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 77.3 mt-10 -60.0 -39.9 87.35 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.001 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.58 -12.4 60.75 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.425 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.56 29.28 72.88 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.5 p-10 -107.09 1.39 24.18 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.22 -1.165 . . . . 0.0 110.232 -179.463 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.538 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.05 5.32 89.64 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -179.345 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.0 mt-10 -134.49 136.94 43.51 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.431 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -103.53 128.87 50.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.877 -1.139 . . . . 0.0 108.466 179.713 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.4 t70 -73.42 169.77 16.48 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.386 -0.821 . . . . 0.0 109.742 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.8 t80 -50.6 -40.08 51.68 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -60.71 -49.93 75.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 0.0 110.122 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 40.3 mt-10 -61.38 -39.98 92.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.046 -1.034 . . . . 0.0 110.529 -178.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -65.59 -35.21 80.16 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 109.377 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.527 ' SD ' ' O ' ' B' ' 74' ' ' MET . 4.6 tpp -60.02 -38.51 82.9 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.264 -178.716 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.31 67.7 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.518 -1.364 . . . . 0.0 110.818 -178.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -67.41 -26.02 66.23 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.926 -1.108 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.438 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.2 OUTLIER -77.71 -31.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 O-C-N 121.174 -0.954 . . . . 0.0 108.735 -179.24 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -44.89 72.81 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.785 -0.572 . . . . 0.0 110.547 -178.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -42.66 73.05 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.783 -1.198 . . . . 0.0 111.204 -178.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.83 -35.06 74.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.823 -1.173 . . . . 0.0 109.221 -179.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.4 m -59.95 -40.02 87.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.044 0.926 . . . . 0.0 108.827 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.37 -38.93 69.48 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.85 78.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.049 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' B' ' 88' ' ' PHE . 10.8 t -59.3 -35.52 73.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.579 -0.7 . . . . 0.0 109.338 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.99 -40.1 87.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.795 -1.19 . . . . 0.0 108.996 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.56 -40.04 95.57 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.181 -0.95 . . . . 0.0 109.401 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -84.01 -39.49 19.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.133 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' B' ' 84' ' ' CYS . 3.0 t80 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.419 ' O ' ' OE2' ' A' ' 45' ' ' GLU . 57.2 mtt-85 . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 6.0 p80 -58.53 -37.18 75.1 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.885 -1.134 . . . . 0.0 108.369 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.62 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 81.5 tttt -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.094 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 44.4 tp -65.36 -32.61 74.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.684 -0.635 . . . . 0.0 110.203 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -60.05 -24.58 64.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.049 -1.032 . . . . 0.0 110.849 -178.561 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.3 OUTLIER -49.65 -35.66 22.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.541 -1.349 . . . . 0.0 109.176 -178.826 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -78.59 -35.73 45.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.032 -1.042 . . . . 0.0 109.911 178.666 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 55.6 p -58.23 -34.33 70.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.006 -1.059 . . . . 0.0 108.632 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 58.4 mm-40 . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.386 -0.822 . . . . 0.0 . 179.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.621 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 6.4 p80 -58.35 -36.89 74.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.825 -1.172 . . . . 0.0 108.487 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.621 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 83.0 tttt -60.03 -28.74 68.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.97 -40.0 83.44 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 179.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.75 -32.16 73.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.735 -0.603 . . . . 0.0 110.197 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -59.97 -24.62 64.56 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.035 -1.041 . . . . 0.0 110.779 -178.787 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -49.86 -35.21 22.43 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.476 -1.39 . . . . 0.0 109.418 -178.646 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.52 -34.29 41.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.869 178.888 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 45.3 p -59.96 -33.25 71.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.993 -1.067 . . . . 0.0 108.482 -179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 58.0 mm-40 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.447 -0.783 . . . . 0.0 . 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.219 0.533 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m 55.76 39.94 30.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -72.76 -13.44 61.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.565 -0.71 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -43.27 -21.45 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.27 -0.894 . . . . 0.0 110.444 -178.369 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' GLU . 87.7 tt0 -70.07 -40.16 75.2 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.458 179.183 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 2' ' ' GLU . 28.5 ttpt -79.35 -46.52 17.48 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.876 -0.515 . . . . 0.0 110.697 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -48.51 73.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.361 -0.837 . . . . 0.0 111.41 -178.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.3 mtt -60.05 -40.02 88.0 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 -178.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.21 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.67 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.61 76.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 111.525 -178.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.92 -39.94 87.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.463 -1.398 . . . . 0.0 107.671 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.65 -40.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.814 -0.554 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.73 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.753 -1.217 . . . . 0.0 111.609 -178.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.59 -33.51 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.804 -1.185 . . . . 0.0 110.275 -178.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' A' ' 18' ' ' SER . 65.0 t80 -59.86 -40.03 87.24 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.49 -1.381 . . . . 0.0 108.882 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -76.73 -22.16 54.25 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -54.6 -44.43 73.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.269 -0.894 . . . . 0.0 110.765 -178.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -118.31 -24.5 6.88 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 121.108 -0.995 . . . . 0.0 111.344 -179.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 48.3 m -60.09 -40.2 88.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.614 -1.304 . . . . 0.0 109.39 -179.574 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 2.8 63.31 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 70.2 ttt180 -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.161 -1.199 . . . . 0.0 108.41 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 99.5 mt-10 -114.13 163.17 15.56 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.425 0.631 . . . . 0.0 109.381 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.41 -19.22 0.03 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 69.4 m-20 -77.94 85.05 4.2 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.773 -1.428 . . . . 0.0 109.853 -179.216 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -94.35 -42.45 8.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.405 -0.809 . . . . 0.0 110.284 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -92.89 0.12 57.34 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.146 -0.971 . . . . 0.0 110.246 -178.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -139.96 157.02 46.35 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -122.91 117.77 26.34 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.418 -0.801 . . . . 0.0 109.766 -178.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.4 mtmp? -90.46 149.81 22.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.675 -1.266 . . . . 0.0 108.449 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -44.37 -21.74 0.05 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.612 ' HG ' ' H ' ' A' ' 31' ' ' GLU . 85.7 p -70.61 -49.49 47.09 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.778 -179.437 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.612 ' H ' ' HG ' ' A' ' 30' ' ' SER . 95.3 mt-10 -68.64 -33.48 74.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.974 -1.079 . . . . 0.0 108.858 179.211 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.96 -40.98 90.89 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HZ1' ' CB ' ' A' ' 37' ' ' ASN . 24.5 tptp -62.41 -39.98 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.592 -0.693 . . . . 0.0 109.622 178.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 77.2 mm-40 -60.58 -39.99 90.06 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 110.294 -179.027 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.02 -44.37 69.43 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.707 -1.246 . . . . 0.0 109.065 179.675 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.8 mt -70.03 -41.24 79.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.174 -0.954 . . . . 0.0 112.461 -177.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 17.3 t-20 -84.08 -32.87 24.55 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.343 -1.473 . . . . 0.0 111.771 -178.193 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.01 -36.72 8.91 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.339 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.64 -17.76 33.02 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.319 -1.488 . . . . 0.0 110.537 -177.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.05 58.86 0.65 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.358 -0.838 . . . . 0.0 109.092 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -60.0 -40.09 88.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.215 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -141.47 -9.99 0.95 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.042 -1.036 . . . . 0.0 110.307 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.88 -30.02 67.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.99 -1.069 . . . . 0.0 109.932 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.8 165.39 27.61 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -66.07 119.0 10.64 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.312 -1.355 . . . . 0.0 109.497 -179.542 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.8 153.07 44.3 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 110.039 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.6 mt -102.63 129.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -106.81 -20.08 13.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.722 . . . . 0.0 110.042 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -119.59 138.58 53.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.336 -0.853 . . . . 0.0 108.968 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.15 -22.31 66.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.459 -0.776 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.97 -38.07 81.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.177 -0.952 . . . . 0.0 109.957 -178.813 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.06 -39.69 81.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.77 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 120.426 -0.509 . . . . 0.0 109.852 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.37 -39.01 93.04 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.211 1.005 . . . . 0.0 109.194 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.95 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.53 -32.82 73.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.216 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.21 -39.97 80.4 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.176 -1.577 . . . . 0.0 107.128 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -77.41 -46.61 22.15 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.818 -0.551 . . . . 0.0 111.326 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -89.31 -15.55 33.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.94 -1.1 . . . . 0.0 111.705 -177.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.0 t0 -81.92 59.52 4.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.144 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.15 -37.08 76.43 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 69.1 m-20 -77.01 -10.03 59.09 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.33 29.91 70.0 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -107.25 8.68 30.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.368 -1.078 . . . . 0.0 110.124 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.2 18.98 77.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -150.43 125.89 10.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.92 130.32 45.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.03 -1.044 . . . . 0.0 108.481 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.83 159.91 33.73 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.571 -0.706 . . . . 0.0 109.664 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 2.3 t80 -46.5 -39.9 11.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.427 -0.795 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -67.92 -39.98 83.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 110.34 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 45.2 mt-10 -63.06 -42.11 99.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.7 -1.25 . . . . 0.0 110.381 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.6 -36.35 82.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.269 -0.894 . . . . 0.0 109.112 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 75.6 mmm -60.0 -38.95 84.12 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.584 -178.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.51 69.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.772 -1.205 . . . . 0.0 111.383 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.408 ' CZ ' ' CG2' ' A' ' 80' ' ' VAL . 42.3 t80 -69.98 -20.25 63.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.596 -1.315 . . . . 0.0 109.57 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.02 -36.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.29 -0.881 . . . . 0.0 109.153 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.48 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 4.2 m -62.37 -45.14 94.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.0 110.298 -179.515 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.4 ptm -70.62 -39.99 73.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 111.46 -178.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.408 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 80.0 t -60.01 -40.02 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.736 -1.228 . . . . 0.0 109.397 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -39.8 86.67 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -49.75 -34.5 19.3 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.25 87.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 88' ' ' PHE . 63.5 m -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.471 -0.768 . . . . 0.0 109.162 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -59.95 -40.09 87.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.372 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -40.02 88.13 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 0.0 109.008 178.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -86.05 -25.2 26.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 109.655 -179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.4 t80 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.144 -0.973 . . . . 0.0 108.525 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.56 39.84 31.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.209 -0.932 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.8 mt-10 -72.88 -13.07 61.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.465 -0.772 . . . . 0.0 110.471 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 2' ' ' GLU . 80.0 mt -43.45 -21.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.899 . . . . 0.0 110.391 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' B' ' 2' ' ' GLU . 87.6 tt0 -69.97 -39.95 75.69 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.442 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 2' ' ' GLU . 29.1 ttpt -79.33 -46.91 16.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.866 -0.521 . . . . 0.0 110.765 -179.499 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.71 -48.54 74.26 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 111.418 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.4 mtt -59.98 -40.04 87.79 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.276 -0.89 . . . . 0.0 109.814 -178.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.17 -39.17 84.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 O-C-N 121.399 -0.813 . . . . 0.0 109.68 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.89 77.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.503 -0.748 . . . . 0.0 111.618 -178.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.9 -39.96 87.15 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.517 -1.365 . . . . 0.0 107.582 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.75 -40.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.788 -0.57 . . . . 0.0 110.696 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 61.3 t0 -61.61 -43.33 99.06 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.869 -1.144 . . . . 0.0 111.576 -178.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.71 -33.68 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.83 -1.169 . . . . 0.0 110.236 -178.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' B' ' 18' ' ' SER . 65.2 t80 -59.86 -39.98 87.05 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.442 -1.411 . . . . 0.0 108.956 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -76.49 -22.21 54.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.214 -0.929 . . . . 0.0 110.35 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -54.79 -44.01 73.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.756 -177.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -118.58 -24.38 6.78 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.14 -0.975 . . . . 0.0 111.302 -179.206 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 50.1 m -60.18 -40.47 90.1 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.651 -1.281 . . . . 0.0 109.412 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 2.71 62.32 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 70.2 ttt180 -60.02 -42.88 95.32 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.147 -1.208 . . . . 0.0 108.446 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.8 mt-10 -114.19 163.11 15.67 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.461 0.648 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.06 -19.61 0.03 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' B' ' 21' ' ' GLU . 69.5 m-20 -77.64 85.17 3.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.765 -1.432 . . . . 0.0 109.857 -179.217 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -94.33 -42.55 8.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.434 -0.791 . . . . 0.0 110.257 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -92.72 0.02 57.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.264 -0.897 . . . . 0.0 110.361 -178.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -139.86 157.1 46.26 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -122.18 117.54 26.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 -178.177 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 30' ' ' SER . 6.6 mtmp? -90.47 150.0 21.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.642 -1.286 . . . . 0.0 108.358 178.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 28' ' ' LYS . 61.9 pttt -44.51 -21.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.202 -0.937 . . . . 0.0 108.851 178.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 28' ' ' LYS . 81.6 p -70.5 -49.29 49.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.847 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.91 -33.17 73.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.017 -1.052 . . . . 0.0 108.848 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.1 -41.06 91.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.34 -40.06 95.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.588 -0.695 . . . . 0.0 109.562 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 77.3 mm-40 -60.53 -39.97 89.81 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.06 -1.025 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -44.4 69.23 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.632 -1.292 . . . . 0.0 109.148 179.596 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.8 mt -70.01 -41.41 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.377 -177.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.73 -33.19 25.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.487 -1.383 . . . . 0.0 111.838 -178.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.99 -36.85 8.87 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -177.173 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -86.45 -17.79 33.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.335 -1.478 . . . . 0.0 110.579 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 33.5 mt -113.13 58.86 0.65 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.391 -0.818 . . . . 0.0 108.92 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -40.14 87.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -141.41 -9.72 0.96 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.02 -30.07 67.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.031 -1.043 . . . . 0.0 109.954 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.75 165.66 26.86 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.453 ' O ' ' OE2' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -66.36 119.16 11.1 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.269 -1.372 . . . . 0.0 109.478 -179.521 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.97 153.03 44.63 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 109.985 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.6 mt -102.51 129.99 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.135 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.92 -20.31 13.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.464 -0.772 . . . . 0.0 110.011 -178.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -119.39 138.68 52.93 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.341 -0.849 . . . . 0.0 108.96 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -65.16 -22.25 66.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.472 -0.768 . . . . 0.0 110.56 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -59.99 -38.25 82.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.091 -1.006 . . . . 0.0 110.009 -178.79 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.98 -39.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.15 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.806 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.36 -39.06 93.13 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.191 0.996 . . . . 0.0 109.262 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.17 -40.03 86.54 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.98 -28.82 44.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.99 -32.5 72.11 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.265 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.46 -40.01 81.5 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.135 -1.603 . . . . 0.0 107.023 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -77.26 -46.54 22.8 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.744 -0.597 . . . . 0.0 111.394 179.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 mt -89.3 -15.51 33.31 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.781 -1.2 . . . . 0.0 111.685 -178.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.1 t0 -81.95 59.76 4.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.1 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -59.44 -36.89 76.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.1 m-20 -77.23 -9.7 58.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.408 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.86 30.01 68.74 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -107.25 8.85 30.13 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.443 -1.034 . . . . 0.0 110.06 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.76 19.19 76.53 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -150.24 125.69 10.19 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.8 130.32 45.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.962 -1.086 . . . . 0.0 108.513 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.83 160.01 33.54 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.5 -0.75 . . . . 0.0 109.687 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 2.2 t80 -46.57 -39.77 11.63 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.217 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -68.11 -39.91 82.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 43.7 mt-10 -63.04 -42.23 99.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.872 -1.143 . . . . 0.0 110.344 -179.359 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -66.7 -36.27 82.11 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 109.118 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.3 mmm -59.95 -38.99 84.08 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.299 0.571 . . . . 0.0 110.596 -178.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.57 70.06 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.701 -1.249 . . . . 0.0 111.324 -178.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.409 ' CZ ' ' CG2' ' B' ' 80' ' ' VAL . 42.1 t80 -69.91 -20.34 63.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.628 -1.295 . . . . 0.0 109.667 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.87 -36.9 40.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.313 -0.867 . . . . 0.0 109.113 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.48 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 4.2 m -62.14 -45.26 94.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.0 110.247 -179.386 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptm -70.54 -40.02 73.69 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 111.469 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.409 ' CG2' ' CZ ' ' B' ' 76' ' ' PHE . 74.2 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.748 -1.22 . . . . 0.0 109.414 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.91 -39.98 87.29 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.7 m -49.75 -34.34 18.81 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.08 87.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 108.599 178.195 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' B' ' 88' ' ' PHE . 64.3 m -59.99 -34.28 73.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.437 -0.79 . . . . 0.0 109.242 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.984 -1.072 . . . . 0.0 108.353 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.09 -40.09 88.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 108.926 178.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -86.11 -25.0 26.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -0.796 . . . . 0.0 109.738 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.4 t80 . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.164 -0.96 . . . . 0.0 108.586 179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.514 ' CD ' ' N ' ' X' ' 104' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.588 0.708 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.51 ' O ' ' SD ' ' X' ' 109' ' ' MET . 86.2 t60 -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.487 -0.758 . . . . 0.0 109.521 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -59.96 -37.41 79.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.392 -0.818 . . . . 0.0 109.883 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.415 ' HZ1' ' CB ' ' X' ' 107' ' ' LYS . 7.3 mtmp? -59.39 -39.95 85.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.495 -179.005 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.508 ' CD1' ' NZ ' ' X' ' 111' ' ' LYS . 19.2 tp -69.12 -38.67 79.01 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.186 -0.946 . . . . 0.0 110.032 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -49.2 -24.53 1.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 109.729 -179.304 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.563 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -42.24 -46.28 4.42 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.244 -0.91 . . . . 0.0 110.303 -179.077 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.563 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -74.05 -34.43 64.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.018 -1.052 . . . . 0.0 109.93 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' X' ' 109' ' ' MET . 42.0 p -60.86 -38.92 87.25 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.794 -1.191 . . . . 0.0 108.06 179.611 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.587 -0.696 . . . . 0.0 . 179.362 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' Y' ' 104' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.57 0.7 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 86.2 t60 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.482 -0.761 . . . . 0.0 109.461 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -59.98 -37.27 79.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -59.69 -39.96 86.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.021 -1.049 . . . . 0.0 109.524 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.518 ' CD1' ' NZ ' ' Y' ' 111' ' ' LYS . 19.6 tp -69.15 -38.56 78.84 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -49.13 -24.53 1.69 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.941 -1.1 . . . . 0.0 109.734 -179.431 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -42.32 -45.88 4.39 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.28 -0.888 . . . . 0.0 110.387 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.561 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.6 OUTLIER -74.18 -35.41 63.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 44.8 p -60.01 -38.54 82.95 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.173 179.713 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 O-C-N 121.544 -0.723 . . . . 0.0 . 179.41 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.426 ' H2 ' ' HG2' ' A' ' 2' ' ' GLU . 62.7 mtt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 61.14 7.19 1.51 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.309 -0.87 . . . . 0.0 109.015 -179.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' HG2' ' H2 ' ' A' ' 0' ' ' MET . 18.9 pt-20 -76.39 13.9 0.86 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 1' ' ' SER . 2.9 tm? -59.78 -40.15 87.32 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.477 -0.765 . . . . 0.0 109.466 -178.577 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.94 -38.63 82.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.894 -1.129 . . . . 0.0 110.26 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.99 -36.22 75.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.072 -1.018 . . . . 0.0 109.862 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -39.98 84.32 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.495 -0.753 . . . . 0.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.8 mtt -68.97 -39.88 79.17 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 108.938 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.3 -37.18 79.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.022 -179.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.56 69.31 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.237 -0.914 . . . . 0.0 110.211 -178.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -40.54 88.79 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 11' ' ' ILE . 81.5 mt -69.97 -40.01 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.741 -0.6 . . . . 0.0 110.961 179.425 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.01 -42.28 93.97 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.817 -1.177 . . . . 0.0 112.388 -177.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -39.04 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.679 -1.263 . . . . 0.0 110.381 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 68.8 t80 -57.89 -39.97 79.15 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.728 -1.232 . . . . 0.0 109.254 -179.06 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.95 -27.59 69.24 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.11 -0.994 . . . . 0.0 109.643 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -40.14 88.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.082 -1.012 . . . . 0.0 111.132 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -95.86 -31.02 13.35 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.809 -1.182 . . . . 0.0 112.348 -178.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.567 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 54.0 m -60.08 -40.02 88.11 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.458 -1.401 . . . . 0.0 109.898 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.24 0.18 80.83 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -59.95 -46.39 89.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.084 -1.245 . . . . 0.0 109.347 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -114.6 164.19 14.37 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.19 -16.19 1.31 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.2 m-20 -80.73 64.52 5.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.617 -1.52 . . . . 0.0 109.495 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.0 -38.96 76.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.879 . . . . 0.0 110.624 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -77.62 -19.03 56.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.064 -1.023 . . . . 0.0 111.368 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 17.9 pttp -138.31 157.51 46.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.996 -1.065 . . . . 0.0 109.435 -179.607 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.82 122.66 48.3 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.54 -0.725 . . . . 0.0 109.097 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' SER . 37.8 pttt -98.11 155.65 17.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.722 -1.236 . . . . 0.0 109.519 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -43.9 -24.51 0.14 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 109.838 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LYS . 17.2 t -73.31 -51.5 17.32 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.491 -179.594 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.82 -36.78 85.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.0 -40.48 89.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.66 -0.65 . . . . 0.0 109.784 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.99 -40.01 91.82 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.173 -0.954 . . . . 0.0 110.207 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -66.71 -37.43 84.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.208 -0.932 . . . . 0.0 109.519 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.2 tt -66.16 -48.86 69.35 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.076 -1.015 . . . . 0.0 109.683 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -69.12 -45.34 79.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.12 -0.987 . . . . 0.0 111.052 -178.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -70.88 -41.07 71.83 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.08 . . . . 0.0 112.151 -177.643 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.06 -31.79 11.6 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 21.4 tt0 -79.34 -9.96 59.7 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.122 -1.611 . . . . 0.0 109.225 -178.079 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.35 52.18 0.85 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.633 -0.667 . . . . 0.0 109.263 179.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 43' ' ' PHE . 66.9 m -61.3 109.76 1.23 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.129 -0.982 . . . . 0.0 110.297 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 56.22 -11.73 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.71 -0.619 . . . . 0.0 111.631 179.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.595 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.3 t80 -69.88 -39.71 76.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.59 -1.319 . . . . 0.0 109.078 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.17 160.66 37.14 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' NE ' ' X' ' 104' ' ' ARG . 85.9 tt0 -58.49 112.72 1.69 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.883 -1.136 . . . . 0.0 109.248 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.37 164.12 11.9 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.868 0.842 . . . . 0.0 110.064 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.49 135.97 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.387 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -107.46 -25.02 11.59 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.281 -0.887 . . . . 0.0 109.614 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -123.77 143.66 50.17 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.402 -0.811 . . . . 0.0 110.276 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.669 HE21 ' N ' ' A' ' 51' ' ' GLU . 1.3 pm0 -69.11 -18.23 63.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.669 ' N ' HE21 ' A' ' 50' ' ' GLN . 15.7 pt-20 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 109.569 -179.781 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.9 t -60.02 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.759 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.49 -40.06 87.62 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.186 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.98 -39.6 95.23 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.242 -0.911 . . . . 0.0 109.908 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -64.89 -39.99 94.41 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.7 -31.22 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 84.0 mmm -70.0 -30.34 67.64 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.871 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.92 -40.03 87.47 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.439 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -77.09 -42.65 37.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.862 -0.524 . . . . 0.0 111.468 178.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.52 -22.0 30.34 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.949 -1.094 . . . . 0.0 109.884 -178.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.5 t0 -81.73 63.34 5.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.875 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.6 -39.05 79.33 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -78.61 -11.3 59.96 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.464 -0.772 . . . . 0.0 109.21 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.8 42.72 92.87 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.09 -0.87 26.26 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.241 -1.152 . . . . 0.0 110.051 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.98 1.13 87.17 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 21.1 pt-20 -146.16 149.88 34.83 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.51 51.66 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -75.21 167.96 20.9 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 p90 -57.52 -38.12 74.16 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 117.966 -1.493 . . . . 0.0 109.056 -178.481 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -61.65 -40.03 93.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 109.938 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.31 -40.25 95.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.471 -1.393 . . . . 0.0 108.857 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.9 -33.69 76.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.535 -0.728 . . . . 0.0 109.694 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 87.2 mmm -60.09 -37.48 80.07 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.313 0.578 . . . . 0.0 110.35 -178.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.53 75.1 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.262 -178.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -70.02 -34.05 72.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 0.0 110.72 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -39.92 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 O-C-N 121.256 -0.902 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -64.28 -39.96 95.0 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.552 -0.718 . . . . 0.0 110.055 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.57 -41.65 75.56 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.603 -178.358 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.94 -37.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 120.657 -1.277 . . . . 0.0 108.653 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -60.05 -39.94 87.72 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.1 m -55.34 -38.77 69.2 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.78 90.73 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.528 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.0 m -60.02 -37.6 80.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.265 -0.897 . . . . 0.0 109.904 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -58.6 -38.74 78.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.912 -1.117 . . . . 0.0 108.129 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.93 -38.3 81.98 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -83.56 -39.0 20.94 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.215 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.443 ' C ' ' H ' ' B' ' 2' ' ' GLU . 65.1 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.464 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.8 m 60.96 7.14 1.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 108.916 -179.464 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' B' ' 0' ' ' MET . 19.1 pt-20 -76.25 14.0 0.82 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' B' ' 1' ' ' SER . 2.9 tm? -59.92 -39.99 87.33 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.421 -0.8 . . . . 0.0 109.351 -178.422 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.1 -38.69 83.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.853 -1.154 . . . . 0.0 110.223 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.8 -36.36 75.61 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.875 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -39.93 84.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.55 -0.719 . . . . 0.0 111.497 -178.156 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 mtt -68.99 -39.94 79.05 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 108.959 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.3 -36.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.17 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.38 -34.03 67.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.99 . . . . 0.0 110.146 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -40.57 89.42 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -70.0 -40.04 78.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.75 -0.594 . . . . 0.0 110.892 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.17 -42.11 94.28 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.147 . . . . 0.0 112.279 -177.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -38.97 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.75 -1.219 . . . . 0.0 110.355 -178.688 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.567 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 72.2 t80 -58.03 -39.91 79.55 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.732 -1.23 . . . . 0.0 109.276 -179.164 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.81 -27.95 69.53 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.17 -0.956 . . . . 0.0 109.598 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.07 -40.08 88.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.028 -1.045 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -95.61 -31.12 13.43 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.701 -1.249 . . . . 0.0 112.391 -178.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.567 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 54.1 m -59.99 -40.08 87.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.393 -1.442 . . . . 0.0 109.897 -179.018 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.79 0.02 79.23 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -60.03 -46.19 90.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.066 -1.255 . . . . 0.0 109.468 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -114.96 164.02 14.74 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.83 -16.27 1.14 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.221 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 98.9 m-20 -80.78 64.68 5.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.632 -1.51 . . . . 0.0 109.533 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -69.93 -39.48 76.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.826 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -77.49 -18.89 56.68 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.142 -0.974 . . . . 0.0 111.392 -177.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.547 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 17.7 pttp -138.55 157.63 45.79 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.952 -1.093 . . . . 0.0 109.449 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.88 122.75 48.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.581 -0.699 . . . . 0.0 109.16 -178.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.5 pttt -98.11 155.67 17.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.786 -1.196 . . . . 0.0 109.597 179.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.87 -24.51 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.503 -0.748 . . . . 0.0 109.873 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 28' ' ' LYS . 21.9 t -73.63 -51.18 17.66 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.447 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -63.94 -37.03 85.91 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.115 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.72 -40.58 88.5 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.715 -0.616 . . . . 0.0 109.718 -179.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.8 -40.05 91.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.71 -37.58 84.99 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.118 -0.988 . . . . 0.0 109.482 -178.492 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.6 tt -65.69 -49.32 68.95 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.221 -0.924 . . . . 0.0 109.606 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.13 -45.56 79.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 121.171 -0.956 . . . . 0.0 111.051 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -70.62 -40.89 72.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -99.08 -31.97 11.5 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 21.2 tt0 -79.36 -9.96 59.71 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.15 -1.594 . . . . 0.0 109.249 -178.068 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -114.26 52.33 0.84 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.6 ' C ' ' H ' ' B' ' 43' ' ' PHE . 75.1 m -61.27 109.21 1.07 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.185 -0.947 . . . . 0.0 110.292 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 56.15 -11.34 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.715 -0.616 . . . . 0.0 111.588 179.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.6 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.5 t80 -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.536 -1.352 . . . . 0.0 109.013 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -133.91 160.77 36.68 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.516 ' OE2' ' NE ' ' Y' ' 104' ' ' ARG . 84.1 tt0 -58.67 112.58 1.67 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.879 -1.138 . . . . 0.0 109.395 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.1 163.87 11.7 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.859 0.838 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -96.24 136.23 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -108.1 -24.58 11.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.258 -0.901 . . . . 0.0 109.585 -179.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -123.77 143.43 50.31 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.457 -0.777 . . . . 0.0 110.266 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.674 HE21 ' N ' ' B' ' 51' ' ' GLU . 1.2 pm0 -69.15 -17.99 63.89 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.832 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.674 ' N ' HE21 ' B' ' 50' ' ' GLN . 15.5 pt-20 -60.93 -39.95 91.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.176 -0.952 . . . . 0.0 109.517 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 98.4 t -59.98 -40.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.57 -40.01 87.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.201 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.74 -39.85 95.38 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.83 -40.06 94.57 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.9 t -66.34 -31.56 54.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.572 ' O ' ' N ' ' B' ' 61' ' ' ASP . 84.2 mmm -70.0 -30.35 67.65 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.81 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -39.73 86.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 178.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -77.27 -42.77 35.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.752 -0.592 . . . . 0.0 111.306 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.28 -21.89 30.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.914 -1.116 . . . . 0.0 110.075 -178.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.8 t0 -81.87 63.29 6.05 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -58.55 -39.09 79.25 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.81 -11.08 59.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.433 -0.792 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.85 42.65 92.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -104.9 -0.96 26.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.2 -1.176 . . . . 0.0 110.121 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.01 1.11 87.22 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 -178.31 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.547 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 21.3 pt-20 -146.07 149.96 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.43 51.77 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.4 t0 -75.55 166.79 23.03 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.1 p90 -56.01 -38.78 70.96 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.947 -1.501 . . . . 0.0 109.32 -178.512 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.702 -1.249 . . . . 0.0 110.014 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.6 -40.01 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.372 -1.455 . . . . 0.0 108.812 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -64.88 -33.95 77.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.6 -0.688 . . . . 0.0 109.515 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 87.3 mmm -59.85 -38.03 80.96 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.42 0.628 . . . . 0.0 110.514 -178.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.46 75.4 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.288 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -70.0 -34.33 73.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 110.585 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -39.98 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -64.33 -40.0 95.02 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.558 -0.714 . . . . 0.0 110.159 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -69.53 -41.84 75.45 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.356 -178.151 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.75 -37.71 80.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 120.68 -1.262 . . . . 0.0 108.66 -179.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 64.9 m -60.0 -39.75 86.86 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.5 m -55.73 -38.77 70.2 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.17 90.71 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.17 -37.46 80.23 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.383 -0.823 . . . . 0.0 109.987 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -58.63 -38.8 78.86 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.929 -1.107 . . . . 0.0 108.052 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.01 -37.93 81.16 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.024 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.58 -39.34 20.48 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.239 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.545 ' NE ' ' OE2' ' A' ' 45' ' ' GLU . 5.2 ptm180 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.546 0.689 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 7.4 p-80 -59.8 -39.21 84.19 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.947 -1.096 . . . . 0.0 108.225 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 46.2 tptt -59.7 -30.6 68.91 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 61.5 tttm -58.28 -40.13 81.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.0 -179.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.41 -24.39 39.69 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.39 -0.819 . . . . 0.0 109.926 178.52 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.47 ' O ' ' OG1' ' X' ' 112' ' ' THR . 33.3 mmt -57.91 -24.83 59.48 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.648 -1.282 . . . . 0.0 110.55 -178.6 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.437 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -53.77 -28.18 33.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.13 -1.606 . . . . 0.0 108.792 -179.505 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 2.0 mmpt? -69.94 -39.98 75.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.861 -1.15 . . . . 0.0 108.437 176.294 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' X' ' 109' ' ' MET . 80.7 p -60.13 -36.04 76.62 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.138 -179.709 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.81 . . . . 0.0 . 179.759 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.516 ' NE ' ' OE2' ' B' ' 45' ' ' GLU . 5.2 ptm180 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.481 0.658 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.608 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.4 p-80 -59.97 -38.99 84.11 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.608 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.1 tptt -59.86 -30.84 69.25 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.616 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.4 tttm -58.03 -40.25 80.37 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.06 -1.025 . . . . 0.0 109.061 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.49 -24.65 39.3 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.415 -0.803 . . . . 0.0 109.973 178.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.479 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 34.0 mmt -57.75 -24.67 58.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.683 -1.261 . . . . 0.0 110.363 -178.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.446 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -53.98 -28.01 35.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.021 -1.674 . . . . 0.0 108.618 -179.445 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 2.3 mmpt? -69.99 -39.95 75.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.911 -1.118 . . . . 0.0 108.52 176.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 82.4 p -60.01 -35.76 75.76 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.196 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . 0.413 ' N ' ' HG1' ' Y' ' 112' ' ' THR . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 . 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.82 27.81 17.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.31 -0.869 . . . . 0.0 109.563 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLU . 45.5 mt-10 -74.7 -10.0 59.1 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.519 -0.738 . . . . 0.0 109.106 179.387 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -42.91 -24.66 0.07 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.501 -0.75 . . . . 0.0 110.523 -178.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' GLU . 18.6 pt-20 -72.03 -36.25 69.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.804 -1.185 . . . . 0.0 109.948 179.332 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -82.81 -30.75 28.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.982 -1.074 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.02 -40.04 72.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.076 . . . . 0.0 110.181 -179.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -66.87 -40.03 87.7 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.09 -38.65 83.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.156 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.91 75.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.182 -0.948 . . . . 0.0 110.679 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -39.99 81.79 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.234 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.88 -39.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.854 -0.529 . . . . 0.0 110.999 179.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.02 -46.16 90.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.759 -1.213 . . . . 0.0 111.946 -177.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -40.01 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.917 . . . . 0.0 111.301 -177.078 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.06 -39.94 87.75 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.295 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.57 ' HE2' ' CD2' ' B' ' 85' ' ' HIS . 66.1 m-70 -65.14 -27.94 69.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.316 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.05 -40.5 89.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.704 -1.247 . . . . 0.0 110.236 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.476 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 49.1 m-85 -92.01 -29.92 16.35 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.863 -1.148 . . . . 0.0 111.719 -179.264 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 50.2 p -60.06 -39.59 86.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.071 -1.018 . . . . 0.0 109.821 -179.023 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.98 -6.23 89.61 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 20' ' ' ARG . 32.4 ttt-85 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.087 -1.243 . . . . 0.0 109.726 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -91.75 -2.04 57.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.038 -1.039 . . . . 0.0 109.033 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.0 -9.99 75.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 26' ' ' LYS . 52.1 m-20 -83.16 69.1 9.83 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.148 -1.207 . . . . 0.0 108.563 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.82 -39.99 94.47 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -179.397 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -77.62 -24.27 49.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.127 -0.983 . . . . 0.0 111.812 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -139.19 157.72 45.43 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.812 -1.18 . . . . 0.0 109.435 -179.503 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.3 131.56 53.7 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.371 -0.831 . . . . 0.0 109.794 -178.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' SER . 65.2 tttm -100.47 146.46 27.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.028 -1.045 . . . . 0.0 109.618 -179.659 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -44.19 -23.92 0.13 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.427 -0.796 . . . . 0.0 109.698 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.8 m -74.57 -50.36 18.28 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.682 -0.807 . . . . 0.0 109.114 -179.628 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 55.8 tt0 -64.58 -36.14 83.28 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.03 -40.4 89.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.755 -0.591 . . . . 0.0 109.648 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' NZ ' HD21 ' A' ' 37' ' ' ASN . 58.4 tttm -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.302 -0.874 . . . . 0.0 110.008 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -61.29 -39.96 92.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.895 -1.128 . . . . 0.0 108.743 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.02 74.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.854 -1.154 . . . . 0.0 109.861 178.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.94 -43.49 79.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.498 -0.751 . . . . 0.0 112.677 -177.248 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.534 HD21 ' NZ ' ' A' ' 33' ' ' LYS . 99.0 m-20 -76.83 -35.06 57.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.61 -1.306 . . . . 0.0 112.328 -177.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -98.8 -30.47 12.4 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.268 -0.895 . . . . 0.0 113.014 -177.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' N ' ' HH ' ' A' ' 17' ' ' TYR . 21.4 tt0 -83.63 -10.51 58.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.099 -1.625 . . . . 0.0 109.114 -178.67 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.3 mt -132.78 58.54 1.76 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.3 m -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 110.044 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -138.02 -11.46 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.267 -0.896 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -70.02 -28.09 65.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.926 -1.109 . . . . 0.0 109.091 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tp -142.21 171.59 13.84 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.283 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 14.9 pt-20 -70.65 117.76 12.59 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.689 -1.204 . . . . 0.0 109.801 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.68 156.82 25.75 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.446 HG12 HH22 ' X' ' 104' ' ' ARG . 58.8 mt -101.91 127.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 O-C-N 120.957 -1.09 . . . . 0.0 108.552 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.46 -20.02 16.65 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.583 -0.698 . . . . 0.0 111.248 -176.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -128.51 136.4 50.75 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.117 -0.99 . . . . 0.0 110.088 -178.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -60.04 -25.34 65.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.578 -0.701 . . . . 0.0 110.074 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.0 -38.57 82.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.179 -0.951 . . . . 0.0 110.263 -179.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.05 -39.98 81.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.57 -36.81 77.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.4 -38.28 90.48 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.753 0.787 . . . . 0.0 109.969 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.25 -28.43 43.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.8 -35.45 77.03 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.359 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.61 -38.64 67.03 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 m -80.03 -49.54 11.65 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.143 -179.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 15.5 mt -89.65 -14.47 34.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.81 -1.181 . . . . 0.0 110.961 -177.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 38.1 t0 -81.85 60.95 4.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.021 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 86.6 mt-10 -59.64 -40.01 86.24 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.03 -19.49 63.3 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.21 80.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 23.6 p-10 -107.86 11.56 27.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.514 -0.992 . . . . 0.0 109.915 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 2.25 87.99 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 17.4 pt-20 -145.08 133.71 22.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.558 -0.966 . . . . 0.0 108.659 179.523 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 141.22 33.71 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' PHE . 86.6 m-20 -78.46 160.55 27.65 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 10.4 t80 -46.61 -35.75 6.23 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.306 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -59.99 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.545 -0.722 . . . . 0.0 110.861 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 35.7 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 110.718 -177.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.93 -31.68 69.56 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.938 -1.101 . . . . 0.0 109.348 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.9 mmm -59.97 -38.07 81.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.663 -0.648 . . . . 0.0 109.795 -178.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.597 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.307 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -36.31 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.81 -0.556 . . . . 0.0 110.266 -178.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -63.0 -39.98 96.4 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.476 -178.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtm -71.43 -45.78 61.82 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.142 -179.022 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.44 ' HA ' ' HZ2' ' X' ' 111' ' ' LYS . 22.0 t -61.49 -37.95 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.553 -178.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.6 m -59.94 -39.16 84.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.6 m -57.58 -39.4 76.68 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.415 -0.803 . . . . 0.0 108.869 178.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 -34.73 71.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 109.883 -179.225 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.608 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 11.9 t-80 -60.08 -39.93 87.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.032 -1.042 . . . . 0.0 108.537 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 0.0 109.616 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.11 -31.46 25.26 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.162 -0.961 . . . . 0.0 110.337 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.191 -0.943 . . . . 0.0 108.6 -179.602 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.63 28.03 17.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.342 -0.849 . . . . 0.0 109.608 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 4' ' ' GLU . 46.1 mt-10 -74.8 -10.01 59.1 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.55 -0.719 . . . . 0.0 109.11 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' B' ' 2' ' ' GLU . 10.2 tp -42.91 -24.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.552 -0.717 . . . . 0.0 110.525 -178.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 2' ' ' GLU . 18.4 pt-20 -71.97 -36.37 69.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.846 -1.159 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -82.65 -30.97 28.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.95 -1.094 . . . . 0.0 110.344 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.04 72.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.945 -1.097 . . . . 0.0 110.168 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -66.75 -40.0 88.12 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.22 -38.43 82.63 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.526 -0.734 . . . . 0.0 110.1 -179.42 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.17 75.44 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.625 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.91 -39.97 78.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.003 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.06 -46.15 90.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.88 -1.137 . . . . 0.0 111.932 -177.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -40.03 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 0.0 111.217 -177.085 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.02 -39.95 87.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.918 -1.114 . . . . 0.0 109.346 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.608 ' HE2' ' CD2' ' A' ' 85' ' ' HIS . 63.5 m-70 -65.24 -27.82 68.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.269 -0.895 . . . . 0.0 110.271 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.07 -40.45 89.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.803 -1.186 . . . . 0.0 110.324 -179.31 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 49.0 m-85 -91.9 -30.1 16.33 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.815 -1.178 . . . . 0.0 111.617 -179.323 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.476 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.3 p -60.06 -39.54 86.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.111 -0.993 . . . . 0.0 109.809 -178.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.15 -6.05 89.66 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' B' ' 20' ' ' ARG . 29.5 ttt-85 -60.04 -49.89 75.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.301 . . . . 0.0 109.713 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -91.64 -2.16 57.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.07 -1.019 . . . . 0.0 109.003 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.04 75.35 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' B' ' 26' ' ' LYS . 52.3 m-20 -83.21 69.14 9.87 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.189 -1.183 . . . . 0.0 108.526 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.9 -39.9 94.24 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.32 -0.862 . . . . 0.0 110.323 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.66 -24.2 49.45 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.172 -0.955 . . . . 0.0 111.763 -178.247 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.5 pttp -139.29 157.82 45.23 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.541 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.38 131.7 53.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.383 -0.823 . . . . 0.0 109.765 -178.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' SER . 63.0 tttm -100.58 146.53 27.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.98 -1.075 . . . . 0.0 109.595 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -44.18 -23.82 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.37 -0.831 . . . . 0.0 109.71 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 68.4 m -74.85 -50.02 18.52 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.16 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 56.1 tt0 -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.355 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.06 -40.36 89.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.707 -0.621 . . . . 0.0 109.69 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.54 ' NZ ' ' ND2' ' B' ' 37' ' ' ASN . 59.7 tttm -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.299 -0.875 . . . . 0.0 110.019 -179.686 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.5 OUTLIER -61.09 -40.03 92.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.934 -1.104 . . . . 0.0 108.767 179.858 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.04 74.25 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.877 -1.139 . . . . 0.0 109.908 178.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.05 -43.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 112.663 -177.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.54 ' ND2' ' NZ ' ' B' ' 33' ' ' LYS . 99.0 m-20 -77.05 -35.01 57.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.59 -1.319 . . . . 0.0 112.324 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -98.67 -30.64 12.34 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.245 -0.91 . . . . 0.0 112.974 -177.461 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.41 -10.82 58.18 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.129 -1.607 . . . . 0.0 109.11 -178.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.59 58.67 1.75 Allowed 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -60.03 -40.05 88.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.986 -179.306 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -138.18 -11.13 1.47 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.234 -0.916 . . . . 0.0 110.189 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.04 -28.06 65.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 109.068 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.28 171.84 13.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.27 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 15.9 pt-20 -70.76 117.89 12.85 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.787 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.532 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 38.0 tt0 -63.82 156.67 26.68 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.408 HG12 HH22 ' Y' ' 104' ' ' ARG . 63.8 mt -101.54 128.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.959 -1.088 . . . . 0.0 108.529 179.337 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.91 -20.03 16.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.511 -0.743 . . . . 0.0 111.093 -176.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -128.45 136.36 50.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.125 -178.298 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -59.99 -25.37 65.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.495 -0.753 . . . . 0.0 109.962 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.95 -38.68 83.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.167 -0.958 . . . . 0.0 110.337 -179.063 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.33 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.15 -38.36 90.76 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.722 0.773 . . . . 0.0 109.979 -179.354 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.59 -38.99 77.53 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.41 -28.49 43.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.595 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.73 -35.43 77.13 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.373 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -54.53 -38.74 66.93 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.141 -1.599 . . . . 0.0 106.74 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.7 m -79.97 -49.46 11.81 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.149 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 16.5 mt -89.66 -14.43 34.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.831 -1.168 . . . . 0.0 111.003 -177.678 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.5 t0 -81.97 60.81 4.98 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 83.8 mt-10 -59.51 -40.05 85.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.01 -19.4 63.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.57 32.19 80.42 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 23.8 p-10 -107.9 11.5 27.95 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.997 . . . . 0.0 109.933 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 2.16 88.13 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.3 pt-20 -144.96 133.77 22.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.519 -0.989 . . . . 0.0 108.705 179.581 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 141.1 33.89 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' B' ' 70' ' ' PHE . 85.7 m-20 -78.36 160.34 27.86 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' B' ' 69' ' ' ASP . 10.2 t80 -46.42 -35.64 5.74 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.287 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.621 -0.675 . . . . 0.0 110.93 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 35.7 mt-10 -60.05 -40.01 87.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.74 -177.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -69.9 -31.61 69.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.056 -1.027 . . . . 0.0 109.309 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.1 mmm -60.01 -38.09 81.62 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.705 -0.622 . . . . 0.0 109.731 -179.004 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.666 -178.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.104 -0.997 . . . . 0.0 110.379 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -36.37 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.82 -0.55 . . . . 0.0 110.207 -178.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -62.98 -40.02 96.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.537 -178.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 mtm -71.23 -46.21 61.62 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.099 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.468 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 21.9 t -61.0 -38.07 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 118.984 -1.087 . . . . 0.0 109.641 -178.385 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -39.46 85.78 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -57.28 -39.54 75.9 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.94 87.76 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.3 m -58.73 -34.58 71.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.477 -0.764 . . . . 0.0 109.907 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.57 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 11.8 t-160 -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.018 -1.051 . . . . 0.0 108.517 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.04 -39.94 94.04 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -84.27 -31.29 25.03 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.154 -0.966 . . . . 0.0 110.32 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.202 -0.936 . . . . 0.0 108.611 -179.613 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.516 ' NH1' ' CG ' ' X' ' 104' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.492 0.663 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' X' ' 104' ' ' ARG . 63.4 t60 -59.99 -39.71 86.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.213 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -59.99 -31.26 69.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.147 -0.971 . . . . 0.0 109.401 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -59.34 -40.34 86.05 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.539 -1.351 . . . . 0.0 107.595 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.71 -37.06 83.94 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.444 ' O ' ' C ' ' X' ' 110' ' ' PHE . 13.5 mmt -46.46 -24.36 0.5 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.959 -1.088 . . . . 0.0 110.068 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.4 p90 -39.89 -49.44 2.42 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.396 -0.815 . . . . 0.0 109.823 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.592 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.5 ptpt -73.87 -36.78 64.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 10.3 m -60.04 -40.02 87.91 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 C--N 1.304 -1.413 0 O-C-N 121.466 -0.771 . . . . 0.0 . 179.293 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' B' ' 46' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.497 0.665 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' Y' ' 104' ' ' ARG . 66.9 t60 -59.95 -39.65 86.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.219 -0.926 . . . . 0.0 109.192 -179.379 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -60.01 -31.15 69.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -59.77 -40.15 87.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.504 -1.372 . . . . 0.0 107.611 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.408 ' HG ' ' HZ2' ' Y' ' 111' ' ' LYS . 5.0 tt -66.5 -37.38 84.93 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.634 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.45 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 13.9 mmt -46.2 -24.44 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.915 -1.116 . . . . 0.0 110.067 -179.646 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.4 p90 -39.91 -49.3 2.42 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -0.784 . . . . 0.0 109.941 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.59 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 11.5 ptpt -74.01 -36.73 64.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.272 -0.893 . . . . 0.0 109.827 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.418 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 10.9 m -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 . . . . . 0 C--N 1.304 -1.407 0 O-C-N 121.516 -0.74 . . . . 0.0 . 179.239 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.502 ' H1 ' ' CD ' ' B' ' 16' ' ' GLN . 7.2 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.37 32.04 20.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.35 -0.844 . . . . 0.0 109.142 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.55 -1.89 7.7 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.845 0.831 . . . . 0.0 108.919 179.423 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.81 -35.24 74.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 -177.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.89 -40.1 87.58 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.499 -1.376 . . . . 0.0 111.506 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.44 -31.92 60.5 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.36 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.471 -0.768 . . . . 0.0 111.735 -177.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.5 mtt -69.64 -39.13 77.29 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.88 -1.138 . . . . 0.0 109.622 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.89 -33.31 55.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.679 -0.638 . . . . 0.0 109.754 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.78 75.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.513 -0.742 . . . . 0.0 111.262 -179.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.98 -40.26 88.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.468 -1.395 . . . . 0.0 108.398 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.0 -38.69 82.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 O-C-N 121.657 -0.652 . . . . 0.0 110.066 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.33 -45.88 91.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.818 -1.176 . . . . 0.0 110.99 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.01 -39.99 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.304 -0.872 . . . . 0.0 111.048 -178.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -55.78 -39.95 71.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.149 -0.969 . . . . 0.0 108.916 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -75.38 -21.5 58.24 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.177 -0.952 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.497 ' CD ' ' H1 ' ' B' ' 0' ' ' MET . 28.1 mm100 -59.88 -40.5 88.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.526 -1.359 . . . . 0.0 110.993 -177.773 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 16.3 p90 -119.07 -24.0 6.65 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.098 -1.001 . . . . 0.0 111.328 -179.179 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.0 p -67.55 -38.09 83.64 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.616 -1.303 . . . . 0.0 109.461 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.1 -8.89 85.45 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -60.37 -42.62 96.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -1.09 . . . . 0.0 109.687 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.54 162.82 15.71 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.727 0.775 . . . . 0.0 109.916 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.75 -24.87 4.47 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 26' ' ' LYS . 85.7 m-20 -73.31 51.02 0.32 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.671 -1.487 . . . . 0.0 109.635 -179.486 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -71.31 -40.11 71.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.869 -1.144 . . . . 0.0 109.832 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -83.27 -11.59 57.6 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 23' ' ' ASP . 1.9 ptpm? -135.24 159.38 41.74 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.53 109.39 14.28 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.016 -1.053 . . . . 0.0 109.869 -178.386 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 30' ' ' SER . 39.6 pttt -89.74 149.73 22.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.778 -1.201 . . . . 0.0 109.046 179.181 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.0 ptpt -38.98 -24.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.121 0.486 . . . . 0.0 110.491 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.6 m -72.67 -45.24 59.91 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.644 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -68.09 -38.91 82.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.054 -1.029 . . . . 0.0 108.995 179.106 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.86 -39.95 86.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 108.915 179.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -60.0 -39.7 86.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.415 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.96 -40.03 95.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.576 -0.702 . . . . 0.0 110.92 -178.136 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.56 -48.91 65.59 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 120.43 -1.419 . . . . 0.0 108.682 179.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -70.26 -43.15 78.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.326 -0.859 . . . . 0.0 111.689 -177.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.2 t-20 -77.9 -36.73 49.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.534 -1.354 . . . . 0.0 111.688 -178.258 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.69 -37.95 9.29 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.786 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.23 -19.07 24.58 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.223 -1.548 . . . . 0.0 110.733 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -114.34 51.76 0.87 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.235 -0.915 . . . . 0.0 109.627 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -72.29 -61.66 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.041 -1.037 . . . . 0.0 110.67 -179.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.707 ' HD1' ' N ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -94.0 -8.76 39.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.877 -1.139 . . . . 0.0 109.91 -179.759 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.707 ' N ' ' HD1' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -61.58 -48.59 80.24 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.796 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.5 pp -159.46 175.62 13.08 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.487 -0.758 . . . . 0.0 109.68 179.562 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.532 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -52.85 99.03 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.73 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 pt-20 -63.67 164.28 10.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.4 mm -79.94 140.37 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 110.203 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.577 ' HZ1' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -106.61 -16.78 14.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 109.988 -179.793 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.39 152.28 48.25 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.248 -0.908 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.3 62.41 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.571 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -61.06 -39.98 91.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.422 -0.799 . . . . 0.0 110.54 -179.003 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' H ' ' HG3' ' A' ' 51' ' ' GLU . 59.5 t -60.76 -39.85 83.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.633 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.76 -37.01 78.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.581 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.26 -39.93 94.51 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.046 0.927 . . . . 0.0 109.18 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.46 -39.79 92.42 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.39 -27.69 41.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.88 -32.28 70.54 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.363 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.84 -36.03 67.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -83.05 -48.87 10.13 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.198 -179.74 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.5 mt -89.08 -15.16 34.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.783 -1.198 . . . . 0.0 110.683 -177.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.5 t0 -80.09 63.93 4.76 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.271 -1.372 . . . . 0.0 107.5 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -59.52 -39.87 85.31 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.419 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.26 -20.09 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.01 76.05 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p-10 -109.99 14.12 23.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.259 -1.142 . . . . 0.0 110.31 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.4 17.55 76.25 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 -179.008 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 35.5 tt0 -152.01 138.93 19.0 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.668 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.33 141.62 47.38 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' PHE . 76.5 m-20 -74.97 160.32 30.71 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.338 -0.851 . . . . 0.0 109.0 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' ASP . 2.6 t80 -46.52 -36.39 6.69 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.176 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.858 -0.526 . . . . 0.0 110.692 178.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.13 -40.08 88.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 110.005 -178.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -61.38 -39.76 91.86 Favored 'General case' 0 C--N 1.296 -1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.305 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -60.11 -39.62 86.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.648 -0.657 . . . . 0.0 111.064 -178.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -65.88 -34.16 77.5 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.703 -1.248 . . . . 0.0 110.488 -178.445 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.34 -35.73 76.33 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.035 -1.041 . . . . 0.0 110.585 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -34.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 O-C-N 121.371 -0.831 . . . . 0.0 110.094 -178.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 9.3 p -66.92 -40.21 87.57 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.355 -0.84 . . . . 0.0 110.556 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.6 ptm -75.15 -40.08 59.91 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.464 -178.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.41 -36.67 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.557 -1.34 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -59.96 -40.11 87.89 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -55.53 -39.57 70.73 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.98 76.16 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 4.8 t -60.01 -34.95 74.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -59.6 -40.19 86.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.866 -1.146 . . . . 0.0 108.506 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.69 -39.49 91.34 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.505 -0.747 . . . . 0.0 109.212 178.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -84.96 -24.18 28.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 111.035 -178.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 84' ' ' CYS . 55.5 t80 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.222 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.497 ' H1 ' ' CD ' ' A' ' 16' ' ' GLN . 7.7 ptm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.46 31.75 20.39 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 109.144 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.58 -2.25 8.54 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.913 0.863 . . . . 0.0 108.974 179.401 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.65 -35.07 73.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.826 -177.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -39.68 87.51 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.54 -1.35 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.34 -32.29 60.84 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.824 -1.173 . . . . 0.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.16 74.54 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.62 -177.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.1 mtt -69.31 -39.36 78.32 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.959 -1.088 . . . . 0.0 109.67 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.91 -33.38 55.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.562 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.84 75.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.476 -0.765 . . . . 0.0 111.401 -178.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.01 -40.5 89.47 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.627 -1.296 . . . . 0.0 108.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.428 HG22 HD12 ' B' ' 11' ' ' ILE . 74.5 mt -65.72 -38.82 83.16 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 121.809 -0.557 . . . . 0.0 110.113 179.358 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.79 -45.28 95.01 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.806 -1.184 . . . . 0.0 110.909 -179.201 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.29 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.309 -0.869 . . . . 0.0 111.004 -178.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.442 ' O ' ' OG ' ' B' ' 18' ' ' SER . 69.6 t80 -55.96 -39.5 71.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.072 -1.017 . . . . 0.0 108.853 -179.606 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -75.48 -21.95 57.63 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.078 -1.014 . . . . 0.0 111.073 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.502 ' CD ' ' H1 ' ' A' ' 0' ' ' MET . 28.2 mm100 -59.62 -40.63 88.2 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.544 -1.347 . . . . 0.0 111.026 -177.631 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.7 p90 -119.09 -23.59 6.78 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.121 -0.987 . . . . 0.0 111.362 -179.068 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -68.12 -37.22 80.86 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.574 -1.329 . . . . 0.0 109.529 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 -8.21 86.97 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -1.126 . . . . 0.0 109.548 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.34 163.24 15.09 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.685 0.755 . . . . 0.0 109.904 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.88 -25.42 5.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.4 m-20 -72.95 50.84 0.28 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.788 -1.419 . . . . 0.0 109.689 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -70.79 -40.07 72.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.882 -1.136 . . . . 0.0 109.622 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.118 -0.989 . . . . 0.0 111.533 -178.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' B' ' 23' ' ' ASP . 1.8 ptpm? -135.85 158.95 43.14 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 tp -122.08 109.18 14.24 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.974 -1.079 . . . . 0.0 109.821 -178.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.7 pttt -89.05 149.91 23.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.671 -1.268 . . . . 0.0 109.0 179.158 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.3 ptpt -39.19 -24.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.808 -0.558 . . . . 0.0 110.578 179.882 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 28' ' ' LYS . 65.8 m -72.66 -45.6 58.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.631 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.06 -38.85 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.066 . . . . 0.0 108.824 179.323 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.78 -39.97 86.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -60.05 -40.02 87.97 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.63 -40.0 95.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.32 -49.14 65.35 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.313 -1.492 . . . . 0.0 108.769 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.06 -43.12 79.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.371 -0.83 . . . . 0.0 111.662 -177.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.9 t-20 -78.35 -36.3 46.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.47 -1.394 . . . . 0.0 111.748 -178.168 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.66 -38.31 9.17 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.833 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -90.15 -19.28 24.44 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.422 -1.424 . . . . 0.0 110.701 -177.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.2 mt -114.07 51.45 0.87 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.236 -0.915 . . . . 0.0 109.659 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.8 t -71.95 -61.56 1.74 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.069 -1.019 . . . . 0.0 110.942 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.698 ' HD1' ' N ' ' B' ' 43' ' ' PHE . 0.0 OUTLIER -94.51 -8.46 38.31 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.858 -1.151 . . . . 0.0 109.839 -179.728 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.698 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 0.2 OUTLIER -61.73 -48.98 78.28 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.628 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 46' ' ' GLU . 1.7 pp -159.12 174.84 14.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.422 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.501 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.7 tp10 -52.78 99.55 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.587 -179.503 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 44' ' ' LEU . 15.2 pt-20 -64.04 164.58 10.34 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.463 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.6 mm -80.31 140.18 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.001 -1.062 . . . . 0.0 110.117 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.501 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -106.39 -17.2 14.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.536 -0.728 . . . . 0.0 109.803 -179.661 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -138.16 152.52 48.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -21.91 62.09 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 52' ' ' VAL . 0.8 OUTLIER -61.01 -39.96 91.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.415 -0.803 . . . . 0.0 110.449 -179.191 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.406 ' H ' ' HG3' ' B' ' 51' ' ' GLU . 60.3 t -60.91 -39.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.663 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.65 -36.8 77.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.559 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.51 -39.79 94.64 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 122.113 0.959 . . . . 0.0 109.163 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -65.42 -40.41 93.32 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.12 -27.82 41.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.085 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -70.07 -31.8 69.57 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.442 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.15 -36.4 68.23 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 178.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -82.41 -49.02 10.44 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.186 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 mt -88.95 -15.07 35.17 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.835 -1.166 . . . . 0.0 110.841 -177.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.9 t0 -79.94 63.38 4.45 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 118.241 -1.384 . . . . 0.0 107.583 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.38 -39.74 84.32 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -70.07 -20.15 63.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.99 29.99 76.12 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 30.8 p-10 -110.03 14.37 23.01 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.367 -1.078 . . . . 0.0 110.295 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.495 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.86 17.86 75.62 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -179.07 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.3 tt0 -151.95 139.25 19.37 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.808 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 141.9 47.03 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' B' ' 70' ' ' PHE . 76.6 m-20 -75.51 161.0 29.56 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' B' ' 69' ' ' ASP . 2.5 t80 -46.61 -36.42 6.93 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.071 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.47 -49.19 78.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.695 -0.628 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.35 -39.76 88.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 110.202 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.61 -38.99 92.33 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.338 -0.851 . . . . 0.0 109.188 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.99 -39.6 86.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.673 -0.642 . . . . 0.0 111.101 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.11 -33.81 76.62 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.787 -1.195 . . . . 0.0 110.571 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -61.17 -35.04 76.06 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.88 -1.138 . . . . 0.0 110.516 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -34.62 65.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 121.295 -0.878 . . . . 0.0 110.0 -178.65 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 5.6 p -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.865 . . . . 0.0 110.496 -178.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.7 ptm -75.12 -40.49 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.971 -1.081 . . . . 0.0 111.447 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.82 -37.28 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.495 -1.378 . . . . 0.0 109.251 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.9 m -59.9 -39.85 86.79 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -55.41 -40.0 70.91 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.57 75.1 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' B' ' 88' ' ' PHE . 4.7 t -60.16 -35.02 74.4 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.55 -40.08 86.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.939 -1.101 . . . . 0.0 108.505 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.69 -39.76 91.61 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.13 178.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -84.76 -24.25 28.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.3 t80 . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.954 -1.091 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.577 HH11 ' HZ1' ' A' ' 48' ' ' LYS . 99.4 mtt180 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.9 OUTLIER -57.9 -31.31 66.64 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.557 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 87.4 tttt -59.91 -32.64 70.95 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.664 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttm -59.5 -40.07 85.83 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.864 -1.147 . . . . 0.0 108.154 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.14 -26.32 64.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 109.878 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -61.98 -24.74 67.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.558 -1.339 . . . . 0.0 109.816 179.856 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.75 -31.22 10.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.548 -1.345 . . . . 0.0 109.257 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.93 -30.97 40.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.386 -0.821 . . . . 0.0 109.436 179.267 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 77.6 p -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.916 -1.115 . . . . 0.0 108.594 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.423 -0.798 . . . . 0.0 . 179.838 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 121.29 0.567 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.5 OUTLIER -58.1 -31.28 66.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.013 -1.054 . . . . 0.0 108.553 179.925 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 88.2 tttt -60.18 -32.65 71.27 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.2 tttm -59.67 -39.72 85.39 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.901 -1.125 . . . . 0.0 108.336 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.38 -26.05 64.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 0.0 109.56 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.19 -24.73 67.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.591 -1.318 . . . . 0.0 109.949 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.51 -31.51 10.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.561 -1.337 . . . . 0.0 109.266 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -79.68 -31.42 41.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.351 -0.843 . . . . 0.0 109.553 179.504 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 71.3 p -59.72 -33.63 71.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.977 -1.077 . . . . 0.0 108.72 179.765 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 . 179.675 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 t 58.49 16.7 4.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.252 -0.905 . . . . 0.0 110.524 179.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 5' ' ' LYS . 41.9 mt-10 -76.01 2.01 13.87 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 108.575 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.25 -28.72 0.34 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.965 -0.459 . . . . 0.0 110.638 -178.516 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -40.01 81.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 0.0 108.564 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.717 ' HZ2' ' HZ2' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -70.01 -38.76 76.03 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.915 -0.491 . . . . 0.0 110.182 -179.9 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.01 82.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 111.136 -178.041 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.7 mtt -66.04 -40.01 90.65 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.936 -1.103 . . . . 0.0 109.751 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.59 -38.84 83.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 109.644 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.91 85.28 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.558 -0.714 . . . . 0.0 111.798 -178.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.76 -1.212 . . . . 0.0 108.137 -179.349 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.98 -40.05 86.29 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.19 -47.22 86.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.678 -1.264 . . . . 0.0 111.124 -178.834 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -39.97 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.03 -1.044 . . . . 0.0 109.381 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 7.3 t80 -59.71 -37.32 78.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.154 -0.966 . . . . 0.0 109.026 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.4 -33.33 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.267 -0.896 . . . . 0.0 111.251 -179.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.99 -40.38 88.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.496 -1.378 . . . . 0.0 110.56 -178.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.96 -22.57 17.87 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.955 -1.091 . . . . 0.0 112.148 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.9 p -60.01 -40.01 87.78 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 120.872 -1.143 . . . . 0.0 108.474 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.33 55.79 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -60.01 -47.76 84.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.827 -1.396 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -109.23 -24.22 11.22 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.252 -0.905 . . . . 0.0 109.769 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.41 -16.71 4.08 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.3 m-20 -81.26 75.5 8.22 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.828 -1.395 . . . . 0.0 108.234 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.93 -40.03 95.52 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.36 -0.837 . . . . 0.0 109.671 -179.218 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -80.8 -16.55 53.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.809 . . . . 0.0 111.32 -179.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 94.6 mttt -134.65 150.84 50.7 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.878 -1.139 . . . . 0.0 110.919 -179.11 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.97 130.44 56.53 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 35.9 mtmm -97.32 151.6 19.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.102 -0.999 . . . . 0.0 108.574 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.17 -23.0 0.73 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 28' ' ' LYS . 80.9 p -77.18 -49.94 14.05 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.279 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 28' ' ' LYS . 78.2 mt-10 -61.65 -36.26 80.28 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.455 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -37.53 80.08 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -59.91 -40.08 87.59 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.183 -0.948 . . . . 0.0 109.341 -179.781 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 30' ' ' SER . 5.0 mp0 -69.97 -40.07 75.58 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 110.51 -179.001 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.1 tm? -61.06 -49.02 79.05 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.568 -1.332 . . . . 0.0 108.701 179.166 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.76 -44.62 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.669 -0.645 . . . . 0.0 112.551 -178.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.4 t-20 -79.09 -29.92 43.58 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.583 -1.323 . . . . 0.0 113.808 -175.439 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -101.42 -38.36 8.05 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.076 -1.015 . . . . 0.0 113.229 -176.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.41 -12.51 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.608 -1.308 . . . . 0.0 109.68 -177.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 2.4 mm? -100.96 50.8 0.86 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.185 -0.947 . . . . 0.0 108.963 179.4 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LEU . 19.0 m -41.53 -56.21 2.62 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.201 -0.937 . . . . 0.0 110.384 -178.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -142.82 1.07 1.28 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.946 -1.096 . . . . 0.0 110.048 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -69.99 -37.74 75.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.02 -1.05 . . . . 0.0 109.754 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.6 tp -138.14 155.05 49.11 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.437 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -61.6 115.88 4.3 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.562 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -61.04 165.63 4.09 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.839 0.828 . . . . 0.0 109.812 179.265 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.4 mm -87.14 138.97 18.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 109.748 -178.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.37 148.15 52.16 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.399 -0.813 . . . . 0.0 110.392 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -69.47 -21.83 63.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.605 -0.685 . . . . 0.0 110.12 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG13 ' HD1' ' X' ' 105' ' ' HIS . 94.1 t -60.02 -39.62 80.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.177 -0.952 . . . . 0.0 108.642 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.18 -34.26 68.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 110.172 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.21 -38.46 88.03 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 122.004 0.906 . . . . 0.0 109.462 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HZ1' ' HE2' ' X' ' 105' ' ' HIS . 60.2 tttm -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.23 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.23 -30.89 70.92 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.492 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.62 -39.98 86.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.145 -1.597 . . . . 0.0 106.744 178.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -81.26 -40.2 24.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.629 -0.669 . . . . 0.0 111.215 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 10.9 mt -88.48 -19.93 25.82 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.892 -1.13 . . . . 0.0 110.778 -178.211 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 57' ' ' MET . 46.8 t0 -82.08 60.62 4.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.712 -1.242 . . . . 0.0 107.779 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 79.7 mt-10 -59.96 -39.92 87.29 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.289 0.566 . . . . 0.0 109.573 -178.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 68.0 m-20 -76.16 -11.63 59.96 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.6 31.31 78.22 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 49.0 p-10 -106.33 3.01 27.09 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.215 -1.168 . . . . 0.0 109.431 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.524 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.65 6.39 88.3 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.3 mt-10 -138.21 129.24 27.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.712 -0.875 . . . . 0.0 109.052 -179.429 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.69 127.04 42.3 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' PHE . 89.8 m-20 -77.76 169.64 17.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.784 . . . . 0.0 110.875 -177.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 7.3 t80 -41.37 -42.36 2.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.68 -50.96 63.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.708 -0.62 . . . . 0.0 110.585 179.729 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 39.1 mt-10 -60.0 -42.04 93.39 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.349 -0.844 . . . . 0.0 111.278 -178.101 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.58 -36.76 83.41 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 109.303 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -39.92 87.98 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.499 0.666 . . . . 0.0 110.944 -178.044 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.98 69.94 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 120.897 -1.127 . . . . 0.0 111.436 -177.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -66.37 -36.54 83.12 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.967 -1.083 . . . . 0.0 110.074 -179.683 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -39.93 84.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.437 -0.789 . . . . 0.0 109.792 -179.664 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.455 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -66.16 -40.01 90.21 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.506 -179.077 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.8 mtp -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.541 -0.725 . . . . 0.0 111.188 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.7 t -69.54 -33.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.95 -1.094 . . . . 0.0 109.346 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.0 m -59.9 -39.99 87.25 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -40.62 66.59 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.9 88.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.23 -0.919 . . . . 0.0 108.573 178.024 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.0 t -60.03 -31.38 69.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.026 . . . . 0.0 109.25 179.781 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.485 ' CD2' ' CZ ' ' B' ' 70' ' ' PHE . 43.9 t-80 -60.02 -49.34 78.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 0.0 109.863 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -34.54 76.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.804 -1.185 . . . . 0.0 108.696 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -80.34 -21.38 42.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.539 -0.726 . . . . 0.0 109.732 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 44.4 t80 . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.239 -0.913 . . . . 0.0 109.026 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t 58.1 16.79 4.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.315 -0.865 . . . . 0.0 110.537 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 5' ' ' LYS . 41.9 mt-10 -75.9 1.62 14.64 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.715 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.15 -28.56 0.3 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.965 -0.46 . . . . 0.0 110.673 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -39.94 81.68 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.794 -1.191 . . . . 0.0 108.549 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.717 ' HZ2' ' HZ2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -70.11 -38.79 75.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.9 -0.5 . . . . 0.0 110.279 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.95 83.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.252 -0.905 . . . . 0.0 111.207 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.31 -39.91 89.61 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.57 -39.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 O-C-N 121.66 -0.65 . . . . 0.0 109.666 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.0 85.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 0.0 111.857 -178.028 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.05 -40.02 88.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.648 -1.283 . . . . 0.0 107.954 -179.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.98 -39.94 85.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.521 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 96.7 m-20 -60.17 -47.25 86.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.747 -1.221 . . . . 0.0 111.204 -178.852 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -40.03 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.965 -1.084 . . . . 0.0 109.394 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 7.4 t80 -59.53 -37.39 78.25 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.109 -0.995 . . . . 0.0 109.05 179.554 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.23 -33.48 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 111.27 -179.049 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.606 ' NE2' ' N ' ' B' ' 16' ' ' GLN . 0.1 OUTLIER -60.04 -40.19 88.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.531 -1.355 . . . . 0.0 110.625 -178.917 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -95.03 -22.56 17.85 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.957 -1.089 . . . . 0.0 112.181 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.93 -40.04 87.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.521 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.34 13.11 56.69 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -60.05 -47.71 84.72 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.841 -1.388 . . . . 0.0 110.78 -178.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.13 -24.38 11.18 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.25 -0.906 . . . . 0.0 109.801 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 -16.96 4.01 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 -81.05 75.42 8.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.358 . . . . 0.0 108.301 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.8 -40.03 95.67 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.424 -0.798 . . . . 0.0 109.655 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -80.99 -16.57 53.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.363 -0.836 . . . . 0.0 111.342 -179.127 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 23' ' ' ASP . 95.6 mttt -134.7 150.57 50.63 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.857 -1.152 . . . . 0.0 110.861 -179.165 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.56 130.93 56.27 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' B' ' 31' ' ' GLU . 36.2 mtmm -97.59 151.89 19.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.091 -1.006 . . . . 0.0 108.515 179.276 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -48.39 -22.94 0.79 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' B' ' 28' ' ' LYS . 79.3 p -77.13 -50.02 13.94 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.234 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' B' ' 28' ' ' LYS . 82.9 mt-10 -61.51 -36.36 80.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.468 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.05 -37.57 80.23 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.192 -0.943 . . . . 0.0 109.303 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE1' ' O ' ' B' ' 30' ' ' SER . 5.0 mp0 -70.05 -40.02 75.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 110.577 -179.172 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.86 -49.23 78.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.455 -1.403 . . . . 0.0 108.704 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.66 -44.41 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.677 -0.639 . . . . 0.0 112.643 -178.077 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.4 t-20 -79.08 -30.58 44.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.49 -1.381 . . . . 0.0 113.723 -175.371 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -101.17 -37.89 8.36 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 121.088 -1.008 . . . . 0.0 113.359 -176.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.6 -12.46 59.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.524 -1.36 . . . . 0.0 109.73 -177.629 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 2.3 mm? -101.03 50.89 0.86 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.266 -0.896 . . . . 0.0 108.843 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' B' ' 40' ' ' LEU . 18.6 m -41.68 -56.29 2.68 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.258 -0.901 . . . . 0.0 110.232 -178.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -142.74 1.32 1.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.93 -1.106 . . . . 0.0 110.036 179.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -69.95 -38.04 76.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.031 -1.043 . . . . 0.0 109.701 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 tp -138.28 155.2 48.84 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.38 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -61.45 115.49 3.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.922 -1.111 . . . . 0.0 108.646 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -60.93 165.5 4.05 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.857 0.837 . . . . 0.0 109.699 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.459 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 5.3 mm -87.09 138.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -106.86 -22.82 12.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 109.724 -179.009 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.29 148.25 52.1 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.394 -0.816 . . . . 0.0 110.433 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -69.38 -21.94 63.75 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.4 pt-20 -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.416 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 81.5 t -60.08 -39.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.03 -1.044 . . . . 0.0 108.519 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.84 -34.32 69.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 O-C-N 121.891 -0.506 . . . . 0.0 110.195 -179.402 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.32 -38.36 87.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.94 0.876 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.756 ' HZ1' ' HE2' ' Y' ' 105' ' ' HIS . 60.8 tttm -69.98 -39.16 76.11 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.19 -30.8 51.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.58 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.99 -30.92 71.17 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.514 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.56 -39.98 85.84 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.1 m -81.57 -39.94 23.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.55 -0.719 . . . . 0.0 111.234 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 10.8 mt -88.52 -20.24 25.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.884 -1.135 . . . . 0.0 110.815 -178.359 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.8 t0 -81.8 60.54 4.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 107.824 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.49 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 79.4 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.279 0.561 . . . . 0.0 109.5 -178.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 67.8 m-20 -75.83 -11.58 60.01 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.217 -0.927 . . . . 0.0 108.54 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.39 31.26 78.38 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 49.0 p-10 -106.22 3.15 27.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.204 -1.174 . . . . 0.0 109.366 -179.64 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.534 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.5 6.7 88.12 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -179.219 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.7 mt-10 -138.59 129.68 26.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.736 -0.861 . . . . 0.0 108.95 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.99 126.67 42.29 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.24 169.17 18.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.492 -0.755 . . . . 0.0 110.952 -178.065 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.558 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 7.5 t80 -41.05 -42.28 1.91 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.94 -50.61 63.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 39.1 mt-10 -60.44 -41.8 94.8 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.36 -0.838 . . . . 0.0 111.168 -177.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.92 -36.53 82.45 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.018 -1.051 . . . . 0.0 109.234 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.44 -39.71 88.49 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.5 0.666 . . . . 0.0 110.857 -178.05 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.09 70.28 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.917 -1.114 . . . . 0.0 111.45 -177.731 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -66.63 -36.17 81.93 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.933 -1.105 . . . . 0.0 110.079 -179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.94 85.13 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 O-C-N 121.446 -0.784 . . . . 0.0 109.727 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.456 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -66.27 -39.97 89.8 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.111 -1.036 . . . . 0.0 109.521 -179.011 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 34.4 mtp -64.26 -40.95 97.05 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.532 -0.73 . . . . 0.0 111.251 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.52 -33.72 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.07 -39.96 87.86 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -40.34 65.79 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.02 89.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.187 -0.946 . . . . 0.0 108.496 177.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.8 t -59.96 -31.39 69.83 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.02 -1.05 . . . . 0.0 109.322 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.528 ' CD2' ' CZ ' ' A' ' 70' ' ' PHE . 44.2 t-80 -59.94 -49.54 77.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.977 -1.077 . . . . 0.0 109.884 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -34.66 76.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.724 -1.235 . . . . 0.0 108.717 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.3 -21.38 42.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.463 -0.773 . . . . 0.0 109.74 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 44.4 t80 . . . . . 0 N--CA 1.487 1.423 0 O-C-N 121.276 -0.89 . . . . 0.0 109.071 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.577 ' HE2' ' HZ1' ' A' ' 55' ' ' LYS . 69.8 t60 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.179 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.428 ' CB ' ' HZ1' ' X' ' 106' ' ' LYS . 0.6 OUTLIER -61.56 -33.66 74.24 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.63 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.98 -43.21 95.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.314 -178.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.526 ' CD2' ' NZ ' ' X' ' 111' ' ' LYS . 2.9 tp -73.07 -29.19 62.77 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.103 -0.998 . . . . 0.0 109.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.537 ' O ' ' N ' ' X' ' 112' ' ' THR . 30.5 mmt -56.93 -24.23 51.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.992 -1.067 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 6.4 p90 -40.01 -46.99 2.2 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.201 -0.937 . . . . 0.0 109.624 -179.274 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.612 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 24.5 pttt -69.7 -32.9 71.76 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.186 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.537 ' N ' ' O ' ' X' ' 109' ' ' MET . 89.4 m -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.592 -0.692 . . . . 0.0 109.16 -178.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.359 -0.838 . . . . 0.0 . -179.826 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.756 ' HE2' ' HZ1' ' B' ' 55' ' ' LYS . 69.2 t60 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 109.277 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.434 ' CB ' ' HZ3' ' Y' ' 106' ' ' LYS . 1.1 mmmm -61.49 -34.03 74.79 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.51 -0.744 . . . . 0.0 109.042 179.52 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -59.96 -43.22 95.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 110.425 -178.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.527 ' CD2' ' NZ ' ' Y' ' 111' ' ' LYS . 3.3 tp -73.13 -29.02 62.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.046 -1.034 . . . . 0.0 109.26 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.529 ' O ' ' N ' ' Y' ' 112' ' ' THR . 30.4 mmt -57.12 -24.23 52.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.083 -1.011 . . . . 0.0 110.608 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 6.3 p90 -39.94 -47.21 2.18 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.155 -0.966 . . . . 0.0 109.652 -179.237 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 25.2 pttt -69.19 -34.01 74.25 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.529 ' N ' ' O ' ' Y' ' 109' ' ' MET . 84.9 m -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.653 -0.654 . . . . 0.0 109.381 -179.223 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.535 -0.728 . . . . 0.0 . -179.474 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.572 ' H ' HE22 ' B' ' 16' ' ' GLN . 1.4 m 60.0 32.78 21.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -75.93 23.4 0.13 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.153 -0.967 . . . . 0.0 109.406 179.607 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 1' ' ' SER . 56.1 tp -59.65 -26.81 65.82 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.916 -0.713 . . . . 0.0 109.083 -179.767 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.48 -39.98 92.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.171 -0.956 . . . . 0.0 108.988 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -68.3 -40.02 81.88 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.926 -0.484 . . . . 0.0 110.812 -178.644 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.04 74.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 111.353 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.36 -39.93 89.44 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.041 -1.037 . . . . 0.0 109.683 -179.18 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.17 -37.05 78.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.76 88.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.802 -0.561 . . . . 0.0 111.47 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.667 -1.271 . . . . 0.0 108.238 -179.052 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.96 -37.3 72.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 121.793 -0.567 . . . . 0.0 110.477 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.11 -43.48 98.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.016 -1.053 . . . . 0.0 111.638 -178.342 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -39.89 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.04 -1.038 . . . . 0.0 109.094 -178.773 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.08 -39.29 69.13 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.98 74.11 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.424 -0.798 . . . . 0.0 110.542 -179.413 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.628 HE22 ' H ' ' B' ' 1' ' ' SER . 74.9 mt-30 -59.95 -40.0 87.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 111.421 -178.446 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.89 -24.96 17.52 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.791 -1.193 . . . . 0.0 112.207 -178.158 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 p -60.2 -40.08 88.82 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.761 -1.212 . . . . 0.0 109.314 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.2 9.1 67.88 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.93 -50.08 75.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.939 -1.33 . . . . 0.0 111.398 -178.347 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.19 13.47 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 -179.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 123.58 -20.66 7.32 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.555 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 26' ' ' LYS . 21.2 m-20 -73.01 62.66 0.63 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.582 -1.54 . . . . 0.0 108.36 179.622 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' GLY . 34.3 ttpt -60.11 -38.14 82.09 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.137 -179.475 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.75 -22.02 54.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.186 -0.946 . . . . 0.0 111.377 -178.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 23' ' ' ASP . 56.0 pttt -148.5 159.67 43.83 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.555 -1.34 . . . . 0.0 110.879 -178.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 mt -107.84 137.52 45.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.736 -0.602 . . . . 0.0 109.785 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 30' ' ' SER . 24.5 mtpp -97.64 154.12 17.77 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.5 ptpp? -49.43 -23.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.267 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.463 ' HG ' ' H ' ' A' ' 31' ' ' GLU . 95.0 p -76.3 -47.26 24.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.449 179.617 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' H ' ' HG ' ' A' ' 30' ' ' SER . 94.7 mt-10 -68.82 -35.69 77.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.356 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.7 tp -60.01 -40.27 88.65 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HZ2' ' CG ' ' A' ' 37' ' ' ASN . 63.7 tttm -60.13 -40.09 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.351 -0.843 . . . . 0.0 109.925 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.95 -40.02 91.69 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.29 -50.08 71.5 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.924 -1.11 . . . . 0.0 109.213 179.139 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.53 -45.93 81.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.497 -0.752 . . . . 0.0 111.976 -177.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' CG ' ' HZ2' ' A' ' 33' ' ' LYS . 1.9 m-80 -71.2 -40.02 71.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.85 -1.156 . . . . 0.0 111.773 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 3.6 m120 -100.28 -32.95 10.61 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.181 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -79.99 -15.77 56.57 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 119.929 -1.732 . . . . 0.0 108.941 -178.198 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt -116.18 61.06 0.72 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.624 ' HG ' ' ND1' ' A' ' 42' ' ' HIS . 95.2 p -50.11 -57.16 8.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.211 -0.931 . . . . 0.0 110.211 -179.009 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.624 ' ND1' ' HG ' ' A' ' 41' ' ' SER . 7.1 p-80 -139.65 0.83 1.86 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.148 -0.97 . . . . 0.0 109.765 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.07 -36.87 75.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.268 -0.895 . . . . 0.0 109.831 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -134.97 160.77 37.25 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.04 112.94 2.08 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.256 -0.977 . . . . 0.0 109.208 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.81 167.2 11.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.863 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 48.6 mt -106.5 129.86 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -104.21 -22.25 13.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.381 -0.824 . . . . 0.0 110.121 -178.024 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -117.9 139.97 50.38 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.347 -0.846 . . . . 0.0 109.699 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.715 HE21 ' H ' ' A' ' 51' ' ' GLU . 1.3 pm0 -66.65 -19.93 65.88 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.715 ' H ' HE21 ' A' ' 50' ' ' GLN . 0.6 OUTLIER -60.39 -39.92 89.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 -179.788 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.08 -39.25 79.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.63 -37.42 79.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.354 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 50.3 t0 -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.145 0.974 . . . . 0.0 109.4 -179.859 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.73 -39.97 84.21 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 122.084 0.945 . . . . 0.0 108.477 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.93 -27.46 37.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.591 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.34 -39.77 89.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.549 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -57.37 -39.92 77.03 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.234 -1.541 . . . . 0.0 107.759 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -76.96 -45.18 28.55 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.535 -0.728 . . . . 0.0 111.65 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -90.15 -16.09 30.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.724 -1.235 . . . . 0.0 110.956 -178.183 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.7 t0 -81.84 63.29 6.02 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 178.711 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -60.04 -40.01 87.91 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.085 -177.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -82.05 -6.62 59.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 0.0 109.2 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.02 37.6 95.21 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.49 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 36.5 p-10 -106.31 3.35 27.49 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.117 -1.225 . . . . 0.0 109.423 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 5.94 89.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 61.5 mt-10 -140.02 136.43 33.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.584 -0.95 . . . . 0.0 108.49 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.17 48.0 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.882 -1.136 . . . . 0.0 108.733 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.79 161.21 30.27 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.583 -0.698 . . . . 0.0 109.263 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.38 -34.4 47.71 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.088 -1.007 . . . . 0.0 108.423 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -70.03 -37.58 75.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.483 -0.76 . . . . 0.0 109.952 179.148 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.38 -43.39 86.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.445 -1.409 . . . . 0.0 109.084 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.06 -24.56 63.27 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.69 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -60.02 -39.09 84.65 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.99 -35.17 76.41 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.243 -0.91 . . . . 0.0 110.31 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -61.26 -39.96 92.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.911 . . . . 0.0 110.19 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -38.42 80.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.614 -0.679 . . . . 0.0 110.033 -178.688 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.438 ' H ' ' HG ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -64.01 -40.02 95.42 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.915 -1.114 . . . . 0.0 109.388 -179.177 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.4 mtp -68.85 -40.28 79.47 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.428 -0.795 . . . . 0.0 111.679 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.85 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.974 -1.079 . . . . 0.0 109.92 -179.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.15 -39.89 87.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -37.5 50.68 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.497 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.99 85.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.9 t -60.05 -38.53 83.06 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.491 -0.755 . . . . 0.0 109.674 -179.77 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.97 -40.0 87.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 109.033 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.54 -37.07 80.02 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 108.885 179.036 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -89.02 -24.29 22.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.564 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.7 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.628 ' H ' HE22 ' A' ' 16' ' ' GLN . 1.4 m 60.05 32.75 21.16 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.117 -0.99 . . . . 0.0 110.134 179.319 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -75.98 23.74 0.13 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 179.698 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' B' ' 1' ' ' SER . 54.1 tp -59.93 -26.65 66.12 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.08 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.54 -40.02 92.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.13 -0.981 . . . . 0.0 108.944 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.29 -40.04 81.93 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.893 -0.505 . . . . 0.0 110.793 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.91 74.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.0 111.328 -178.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.43 -39.98 89.24 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.041 -1.037 . . . . 0.0 109.668 -179.233 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.02 -37.19 78.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.89 88.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.783 -0.573 . . . . 0.0 111.484 -178.577 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.72 -1.238 . . . . 0.0 108.22 -178.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.04 -37.4 72.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.796 -0.565 . . . . 0.0 110.432 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.07 -43.51 98.67 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.93 -1.106 . . . . 0.0 111.648 -178.309 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.63 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 109.166 -178.816 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.31 -39.42 69.91 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.88 73.96 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.371 -0.831 . . . . 0.0 110.476 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.572 HE22 ' H ' ' A' ' 1' ' ' SER . 74.8 mt-30 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.874 -1.141 . . . . 0.0 111.357 -178.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -93.86 -24.9 17.57 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.827 -1.171 . . . . 0.0 112.22 -178.127 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.29 -39.96 88.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.796 -1.19 . . . . 0.0 109.311 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.28 9.13 68.05 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.825 -1.397 . . . . 0.0 111.416 -178.292 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.23 13.46 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.336 -0.853 . . . . 0.0 110.123 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 123.69 -20.72 7.26 Favored Glycine 0 N--CA 1.502 3.048 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.592 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 26' ' ' LYS . 21.1 m-20 -72.96 62.56 0.61 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.516 -1.579 . . . . 0.0 108.371 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' B' ' 22' ' ' GLY . 33.8 ttpt -60.07 -38.17 82.06 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.408 -0.807 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 -21.83 54.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.202 -0.936 . . . . 0.0 111.46 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.3 pttt -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.582 -1.324 . . . . 0.0 110.903 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.7 mt -107.87 137.5 45.77 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.801 -0.562 . . . . 0.0 109.82 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' B' ' 30' ' ' SER . 24.5 mtpp -97.6 154.15 17.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -49.45 -23.15 1.41 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 28' ' ' LYS . 87.3 p -76.36 -47.19 24.27 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 93.5 mt-10 -68.96 -35.67 77.03 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.361 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -40.31 88.84 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.15 -39.98 88.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 110.005 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.12 -40.02 92.19 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.905 . . . . 0.0 108.952 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.12 -49.96 72.34 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.917 -1.114 . . . . 0.0 109.258 178.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.83 -45.67 80.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 112.018 -177.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 47' ' ' ILE . 1.9 m-80 -71.31 -39.99 71.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.855 -1.153 . . . . 0.0 111.738 -178.563 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' B' ' 38' ' ' ASN . 3.5 m120 -100.46 -32.96 10.55 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -176.138 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -80.01 -15.49 57.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 119.927 -1.733 . . . . 0.0 109.015 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -116.23 60.83 0.72 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.046 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 98.4 p -50.04 -57.17 8.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.172 -178.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -139.67 0.74 1.85 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.182 -0.949 . . . . 0.0 109.743 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.93 -36.83 75.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tp -135.14 160.57 37.95 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -59.89 113.04 2.09 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.157 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.85 167.18 11.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 109.895 179.279 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.428 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 47.2 mt -106.42 129.84 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -104.12 -22.28 13.44 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.456 -0.777 . . . . 0.0 110.225 -178.122 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.78 140.0 50.3 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.447 -0.783 . . . . 0.0 109.749 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.684 HE21 ' N ' ' B' ' 51' ' ' GLU . 1.3 pm0 -66.75 -19.96 65.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.684 ' N ' HE21 ' B' ' 50' ' ' GLN . 0.6 OUTLIER -60.25 -40.04 88.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.829 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.04 -39.31 79.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.737 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.55 -37.39 79.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 50.3 t0 -61.75 -39.59 92.13 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 122.04 0.924 . . . . 0.0 109.335 -179.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.65 -39.99 84.57 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.09 -27.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.556 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.32 -39.75 89.5 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.463 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.36 -39.95 77.06 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 120.301 -1.499 . . . . 0.0 107.751 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -77.07 -44.88 29.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.497 -0.752 . . . . 0.0 111.721 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -90.33 -16.17 29.72 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.688 -1.257 . . . . 0.0 110.915 -178.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -81.79 63.26 5.97 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.722 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.94 -40.0 87.45 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.149 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -82.18 -6.55 59.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.2 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.47 95.0 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.987 -1.102 . . . . 0.0 110.533 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 36.6 p-10 -106.22 3.44 27.81 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -1.223 . . . . 0.0 109.419 179.812 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.03 5.81 89.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.7 mt-10 -139.98 136.41 33.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.969 . . . . 0.0 108.444 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.18 47.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.833 -1.167 . . . . 0.0 108.812 179.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 161.29 30.19 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.577 -0.702 . . . . 0.0 109.232 -179.276 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.48 -34.22 48.23 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.13 -0.981 . . . . 0.0 108.368 -179.325 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -70.08 -37.6 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.52 -0.737 . . . . 0.0 109.978 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 -43.46 85.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.479 -1.388 . . . . 0.0 109.036 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -70.0 -24.57 63.33 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.723 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.3 tpt -60.05 -39.05 84.62 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.16 76.4 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 110.331 -179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.18 -40.0 92.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.267 -0.896 . . . . 0.0 110.165 -179.512 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -38.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.609 -0.682 . . . . 0.0 110.097 -178.684 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.408 -179.325 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.9 mtp -69.12 -40.05 78.55 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.491 -0.756 . . . . 0.0 111.671 -178.412 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.99 -39.01 82.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.934 -1.104 . . . . 0.0 109.882 -179.436 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -37.4 50.62 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -179.495 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.78 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.8 t -59.97 -38.79 83.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.89 -40.05 87.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.119 -0.988 . . . . 0.0 109.065 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 108.885 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.14 -24.25 22.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.522 -0.736 . . . . 0.0 109.55 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.7 t80 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 121.771 0.796 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.379 -0.825 . . . . 0.0 108.89 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -59.49 -25.99 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.94 -40.05 87.63 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.537 ' CD2' ' HZ2' ' X' ' 111' ' ' LYS . 2.9 tp -65.38 -37.08 85.91 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.757 0.789 . . . . 0.0 109.437 178.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -51.2 -24.09 3.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.765 -1.209 . . . . 0.0 109.933 -179.366 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 5.7 p90 -39.77 -47.59 2.1 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.185 -0.947 . . . . 0.0 109.74 -178.402 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.612 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 33.8 pttt -69.97 -33.01 71.53 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.237 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.532 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.4 m -60.03 -37.59 80.23 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.612 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 . 179.962 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.756 0.789 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -60.18 -39.94 88.23 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.383 -0.823 . . . . 0.0 108.889 179.431 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -59.52 -25.93 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 178.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.521 ' CD2' ' NZ ' ' Y' ' 111' ' ' LYS . 2.7 tp -65.47 -36.82 85.03 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 121.85 0.833 . . . . 0.0 109.504 178.783 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -51.51 -23.93 4.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.702 -1.249 . . . . 0.0 109.909 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 5.8 p90 -39.87 -47.35 2.15 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.217 -0.927 . . . . 0.0 109.767 -178.484 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.614 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 32.0 pttt -70.08 -33.2 71.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.53 ' N ' ' O ' ' Y' ' 109' ' ' MET . 49.1 m -60.06 -36.95 78.45 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.578 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.48 -0.763 . . . . 0.0 . 179.907 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.3 t 57.86 29.13 17.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.303 -0.873 . . . . 0.0 109.675 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.13 12.19 1.24 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.421 -0.799 . . . . 0.0 108.889 179.276 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -60.03 -33.68 72.34 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.592 -0.693 . . . . 0.0 110.498 -178.415 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.11 -40.04 88.29 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.76 -1.212 . . . . 0.0 110.562 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -68.01 -39.63 83.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.975 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.05 89.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 0.0 111.172 -178.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.6 mtt -65.02 -39.95 94.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.84 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 121.377 0.608 . . . . 0.0 110.334 -179.061 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -40.04 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.418 -0.801 . . . . 0.0 111.682 -177.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.918 -1.114 . . . . 0.0 108.398 -178.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.56 -39.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.697 -0.627 . . . . 0.0 110.375 179.228 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.706 -1.246 . . . . 0.0 111.259 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -34.45 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.019 -1.051 . . . . 0.0 110.26 -179.154 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' OG ' ' A' ' 18' ' ' SER . 87.4 t80 -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.484 -1.385 . . . . 0.0 107.997 -179.548 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -77.99 -22.1 49.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 179.193 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -53.09 -45.88 68.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 110.5 -178.148 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 16.5 p90 -116.19 -25.15 7.69 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.598 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 24.1 m -62.68 -47.12 85.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.649 -1.282 . . . . 0.0 110.844 -178.85 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.16 18.58 3.3 Favored Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.052 -1.071 . . . . 0.0 110.922 -178.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.675 ' NH2' ' HG ' ' A' ' 30' ' ' SER . 26.2 ptt180 -60.11 -42.62 95.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.81 -1.406 . . . . 0.0 110.638 -179.451 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -112.56 -38.75 4.54 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.185 -0.947 . . . . 0.0 109.607 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 156.17 -6.55 0.23 Allowed Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -71.82 52.33 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.464 -1.609 . . . . 0.0 108.106 179.709 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' GLY . 32.9 ttpt -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.21 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.484 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 8.3 p80 -88.14 -4.97 58.68 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 111.057 -178.808 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 24.7 pttm -149.22 150.27 32.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.883 -1.135 . . . . 0.0 108.92 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -113.55 128.38 56.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 -179.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.9 mttt -95.06 149.79 20.88 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.003 -1.06 . . . . 0.0 109.051 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -48.51 -21.5 0.57 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.675 ' HG ' ' NH2' ' A' ' 20' ' ' ARG . 41.2 t -70.93 -53.7 14.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.595 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.7 -32.41 74.07 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.516 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.03 -40.14 88.31 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' A' ' 47' ' ' ILE . 43.6 tptt -62.55 -40.07 95.64 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.585 -0.697 . . . . 0.0 110.123 179.033 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.47 -39.93 95.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 110.472 -178.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.94 -44.84 72.22 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.618 -1.301 . . . . 0.0 109.097 179.641 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -71.9 -41.07 69.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 112.369 -177.121 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.18 -31.23 27.23 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.3 -1.5 . . . . 0.0 111.516 -178.174 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.92 -39.29 8.24 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.434 -0.791 . . . . 0.0 112.97 -177.545 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -90.04 -22.32 21.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.453 -1.404 . . . . 0.0 110.387 -177.794 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 mt -114.5 47.5 1.23 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.4 -0.812 . . . . 0.0 108.948 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -64.73 -41.24 96.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.65 -13.05 2.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.127 -0.983 . . . . 0.0 110.351 -178.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -70.04 -38.09 75.75 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.035 -1.04 . . . . 0.0 109.891 -179.131 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.7 tp -130.39 -144.6 0.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.345 -0.847 . . . . 0.0 109.609 -179.746 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -93.08 107.56 19.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.554 -0.716 . . . . 0.0 109.29 -179.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -67.22 133.63 50.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 179.036 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.495 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . 66.4 mt -89.44 139.88 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.75 -1.219 . . . . 0.0 108.835 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.31 -24.56 10.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.815 -0.553 . . . . 0.0 110.773 -177.78 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -119.23 145.52 45.99 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.427 -0.796 . . . . 0.0 110.211 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.99 -21.52 64.14 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.702 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -63.31 -39.79 95.54 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.38 -0.825 . . . . 0.0 110.077 -179.703 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -61.3 -40.0 84.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -61.6 -39.46 91.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.931 -179.422 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 122.01 0.91 . . . . 0.0 108.856 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.22 -33.15 61.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.402 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.616 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.9 mmm -70.99 -28.89 64.76 Favored 'General case' 0 C--O 1.198 -1.65 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.719 179.613 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.55 -39.8 81.23 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -74.71 -44.61 49.17 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.213 178.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.7 mt -89.25 -14.91 34.82 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.893 -1.129 . . . . 0.0 111.022 -178.125 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.616 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.8 t0 -81.19 62.61 5.2 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 178.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 77.5 mt-10 -59.99 -39.72 86.71 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.623 -178.066 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -80.95 -7.35 59.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 36.93 92.14 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.84 178.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 40.1 p-10 -107.36 2.28 24.33 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.038 -1.272 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.504 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.89 1.59 89.76 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.39 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.8 mt-10 -134.21 136.46 43.7 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.91 124.78 45.6 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.85 -1.156 . . . . 0.0 108.649 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -63.3 160.48 15.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.179 -0.951 . . . . 0.0 109.183 -179.072 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.8 t80 -48.14 -38.64 18.38 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.144 -0.972 . . . . 0.0 108.79 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.96 -39.6 75.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.705 -0.622 . . . . 0.0 110.219 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.1 mt-10 -62.81 -46.09 89.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 109.544 -179.405 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.47 -25.77 63.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 108.501 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.7 tpt -59.98 -39.17 84.77 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.049 -179.362 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.919 -1.113 . . . . 0.0 109.715 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.739 -0.6 . . . . 0.0 109.701 -179.224 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -66.14 -42.6 88.87 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.32 -178.521 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -69.95 -40.32 75.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.373 -1.454 . . . . 0.0 111.387 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.53 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.206 -178.624 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.93 -40.09 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -35.77 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.344 -0.847 . . . . 0.0 109.073 178.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.99 -36.25 76.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.0 109.669 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.88 -1.137 . . . . 0.0 108.992 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.16 -40.11 96.6 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.288 -0.883 . . . . 0.0 109.168 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -77.46 -45.83 24.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.022 -179.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.3 m-30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 99.8 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.293 0.568 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.447 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.2 t 58.04 28.71 16.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.24 -0.913 . . . . 0.0 109.733 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.77 12.12 1.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 108.924 179.228 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -60.01 -33.6 72.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.538 -0.726 . . . . 0.0 110.503 -178.319 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.03 -40.07 88.07 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.22 . . . . 0.0 110.574 -179.551 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.2 -39.61 82.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.248 -0.908 . . . . 0.0 109.92 -179.13 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.94 89.36 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.357 -0.839 . . . . 0.0 111.148 -178.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -65.06 -39.93 93.96 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.03 -1.044 . . . . 0.0 110.211 -179.07 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.91 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-O 121.411 0.624 . . . . 0.0 110.396 -179.056 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.98 75.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.421 -0.8 . . . . 0.0 111.608 -177.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -39.99 87.55 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.864 -1.147 . . . . 0.0 108.326 -179.017 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.47 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.309 179.212 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.32 -40.03 96.19 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.719 -1.238 . . . . 0.0 111.259 -178.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -34.57 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.974 -1.079 . . . . 0.0 110.272 -179.084 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 87.4 t80 -59.95 -39.97 87.41 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.539 -1.35 . . . . 0.0 107.992 -179.518 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -78.17 -22.12 49.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.43 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -53.08 -45.71 68.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.148 -0.97 . . . . 0.0 110.488 -178.182 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 16.1 p90 -116.31 -25.11 7.65 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 121.219 -0.926 . . . . 0.0 111.588 -179.027 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 23.0 m -62.73 -47.18 84.69 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.688 -1.257 . . . . 0.0 110.822 -178.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.02 18.55 3.21 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 120.066 -1.064 . . . . 0.0 110.948 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.551 ' NH2' ' HG ' ' B' ' 30' ' ' SER . 26.1 ptt180 -60.11 -42.46 94.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.815 -1.403 . . . . 0.0 110.725 -179.458 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -112.71 -39.22 4.36 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.078 -1.014 . . . . 0.0 109.537 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 156.7 -6.57 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.759 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -71.67 51.95 0.2 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.509 -1.583 . . . . 0.0 108.198 179.746 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 22' ' ' GLY . 32.6 ttpt -66.54 -40.01 88.86 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 110.522 -179.275 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.484 ' H ' ' CD2' ' B' ' 25' ' ' HIS . 8.4 p80 -88.32 -4.74 58.63 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.886 -1.133 . . . . 0.0 111.073 -178.771 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 23' ' ' ASP . 24.6 pttm -149.36 150.2 32.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.838 -1.164 . . . . 0.0 108.869 179.137 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tp -113.52 128.52 56.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.293 -0.879 . . . . 0.0 109.134 -179.063 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' C ' ' N ' ' B' ' 30' ' ' SER . 96.2 mttt -95.1 149.47 21.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.068 179.799 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -48.36 -21.43 0.53 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.551 ' HG ' ' NH2' ' B' ' 20' ' ' ARG . 40.6 t -70.97 -53.85 13.41 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.586 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -32.65 74.36 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.04 -39.98 87.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.578 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' B' ' 47' ' ' ILE . 42.9 tptt -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.577 -0.702 . . . . 0.0 110.087 178.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 110.471 -178.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.85 -45.12 71.89 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.483 -1.385 . . . . 0.0 109.112 179.617 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -71.69 -40.89 70.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 112.419 -177.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.38 -31.06 26.92 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.201 -1.562 . . . . 0.0 111.531 -178.186 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -39.23 8.23 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.454 -0.778 . . . . 0.0 112.98 -177.563 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.16 -22.21 21.83 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.38 -1.45 . . . . 0.0 110.38 -177.782 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 mt -114.6 47.73 1.21 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.407 -0.808 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -65.24 -40.67 94.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 111.021 -179.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.94 -13.38 2.49 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.189 -0.944 . . . . 0.0 110.343 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -69.79 -38.07 76.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.024 -1.048 . . . . 0.0 109.843 -179.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.469 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.7 tp -130.41 -144.63 0.27 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.356 -0.84 . . . . 0.0 109.646 -179.704 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.469 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -93.18 107.52 19.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.489 -0.757 . . . . 0.0 109.298 -179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.26 133.67 50.14 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.12 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.501 ' O ' ' NZ ' ' B' ' 33' ' ' LYS . 64.7 mt -89.36 139.71 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.781 -1.2 . . . . 0.0 108.835 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.414 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.09 -24.8 10.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.868 -0.52 . . . . 0.0 110.718 -177.746 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.456 -0.778 . . . . 0.0 110.33 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.56 -21.94 64.51 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.572 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.412 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -62.96 -39.95 96.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.411 -0.806 . . . . 0.0 110.076 -179.706 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.92 -40.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 36.5 t -61.37 -39.96 84.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.076 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.5 t0 -61.59 -39.54 91.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.507 -0.745 . . . . 0.0 109.89 -179.507 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.25 -40.05 89.91 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 122.039 0.923 . . . . 0.0 108.829 -179.261 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.29 -33.25 61.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.605 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.1 mmm -70.65 -29.03 65.27 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.692 179.527 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.7 -39.61 81.25 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.6 m -75.0 -44.42 48.25 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.116 178.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 41.0 mt -89.23 -14.98 34.72 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.937 -1.102 . . . . 0.0 111.023 -178.157 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -81.18 62.6 5.19 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 77.2 mt-10 -60.05 -39.85 87.37 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.612 -178.059 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -80.74 -7.48 59.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.281 179.301 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.89 91.96 Favored Glycine 0 N--CA 1.498 2.797 0 C-N-CA 119.965 -1.112 . . . . 0.0 110.835 178.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 40.2 p-10 -107.38 2.5 24.44 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.05 -1.265 . . . . 0.0 110.202 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.504 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.47 1.98 89.14 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.469 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.2 mt-10 -134.56 136.19 42.83 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.65 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 124.75 45.24 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.858 -1.151 . . . . 0.0 108.678 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 51.5 t0 -63.36 160.3 16.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.246 -0.909 . . . . 0.0 109.231 -179.104 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 t80 -48.03 -38.52 17.39 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.167 -0.958 . . . . 0.0 108.815 -179.89 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -70.0 -39.82 75.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.594 -0.691 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.1 mt-10 -62.56 -46.22 89.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.744 -1.223 . . . . 0.0 109.619 -179.473 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.39 -25.82 63.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.205 -0.934 . . . . 0.0 108.532 178.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.4 tpt -59.99 -39.22 84.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -69.75 -30.77 68.44 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.118 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.921 -1.112 . . . . 0.0 109.81 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -37.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 CA-C-O 121.357 0.599 . . . . 0.0 109.645 -179.1 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 0.8 OUTLIER -65.98 -42.59 89.64 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.312 -178.593 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.367 -1.458 . . . . 0.0 111.431 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.32 -36.18 76.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 121.148 -0.97 . . . . 0.0 109.299 -178.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -35.74 65.35 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 109.047 178.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.94 -36.44 77.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 109.603 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.96 -40.23 88.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.81 -1.182 . . . . 0.0 108.871 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.91 -40.29 97.13 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.231 -0.918 . . . . 0.0 109.118 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.29 -46.0 24.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 110.021 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 88' ' ' PHE . 1.3 m-30 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.4 p-80 -59.33 -33.92 71.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.775 -1.203 . . . . 0.0 108.76 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.592 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 52.6 tttm -59.78 -33.32 71.54 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.375 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttp -56.07 -38.62 70.91 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -73.55 -24.79 60.16 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.423 0.63 . . . . 0.0 110.472 178.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.73 -24.65 64.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.153 -1.592 . . . . 0.0 109.682 -179.77 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.629 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -48.74 -31.36 6.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.472 -1.392 . . . . 0.0 109.415 -179.66 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.629 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -69.62 -40.03 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.608 -1.308 . . . . 0.0 108.138 176.778 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' X' ' 109' ' ' MET . 63.4 p -60.17 -33.43 72.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.786 -179.655 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.589 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.4 p-80 -59.5 -33.78 71.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.774 -1.204 . . . . 0.0 108.769 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.589 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.7 tttm -59.82 -33.15 71.37 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.347 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 62.2 tttp -56.31 -38.59 71.49 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.09 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.1 tp -73.5 -24.86 60.23 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.442 0.639 . . . . 0.0 110.515 178.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.84 -24.65 64.38 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.195 -1.566 . . . . 0.0 109.667 -179.619 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.628 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -48.77 -31.09 6.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.489 -1.382 . . . . 0.0 109.399 -179.594 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.628 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.546 -1.346 . . . . 0.0 108.218 176.759 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 61.9 p -60.01 -32.79 71.2 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.861 -179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.402 -0.811 . . . . 0.0 . 179.725 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m 56.8 26.85 11.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -77.61 -11.89 59.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.605 -0.684 . . . . 0.0 110.494 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 1.6 pt? -47.27 -18.37 0.1 Allowed 'General case' 0 C--O 1.198 -1.606 0 O-C-N 120.788 -1.195 . . . . 0.0 110.289 -179.014 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 2' ' ' GLU . 99.0 mt-10 -64.55 -39.68 94.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.34 -1.475 . . . . 0.0 109.278 -179.626 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -77.33 -36.91 53.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.98 79.54 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.571 -0.706 . . . . 0.0 110.479 -178.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.506 -0.746 . . . . 0.0 110.114 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.3 -38.78 83.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 121.71 0.767 . . . . 0.0 109.421 -179.554 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.95 81.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.688 -0.632 . . . . 0.0 111.621 -178.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.49 -40.09 85.88 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -178.394 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -68.17 -39.99 82.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.206 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.56 -50.23 73.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.022 -1.049 . . . . 0.0 111.553 -178.487 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -39.75 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 110.018 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -55.21 -40.44 70.8 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.416 -0.803 . . . . 0.0 109.296 -179.446 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.61 -21.12 48.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.397 -0.814 . . . . 0.0 111.213 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -58.18 -42.44 86.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.776 -1.203 . . . . 0.0 111.255 -177.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 15.4 p90 -114.65 -25.46 8.28 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.069 -1.019 . . . . 0.0 111.367 -178.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.472 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.6 m -60.88 -41.35 95.83 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.578 -1.327 . . . . 0.0 110.084 -179.284 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.77 85.92 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.377 -1.392 . . . . 0.0 110.173 -179.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -61.06 -42.94 99.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.022 -1.281 . . . . 0.0 109.517 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -79.63 -78.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 0.0 110.075 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.42 -37.72 0.03 OUTLIER Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.181 -1.485 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -81.83 107.58 14.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.694 -1.474 . . . . 0.0 109.475 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -85.98 -26.49 25.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.497 -0.752 . . . . 0.0 109.566 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -100.02 -2.63 33.96 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.236 -0.915 . . . . 0.0 110.604 -178.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -139.93 140.1 36.3 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.033 -1.042 . . . . 0.0 109.011 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -106.27 134.36 49.52 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.093 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 30' ' ' SER . 90.8 mttt -101.17 152.44 20.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 108.637 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -49.92 -21.92 1.35 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.644 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.435 ' HG ' ' H ' ' A' ' 31' ' ' GLU . 78.2 p -76.64 -47.16 23.08 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.216 -0.593 . . . . 0.0 109.794 179.695 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' OE2' ' O ' ' A' ' 18' ' ' SER . 49.4 mt-10 -67.93 -36.12 79.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.866 -1.146 . . . . 0.0 108.267 179.055 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.76 -41.25 90.6 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.446 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.07 -39.83 95.88 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.573 -0.704 . . . . 0.0 109.534 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.17 -39.64 87.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 110.48 -178.628 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -42.84 73.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.523 -1.361 . . . . 0.0 108.93 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.93 -43.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.414 -0.804 . . . . 0.0 111.725 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 2.0 m-20 -81.29 -34.75 31.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.466 -1.396 . . . . 0.0 112.537 -178.059 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' N ' HD21 ' A' ' 38' ' ' ASN . 2.8 m120 -100.18 -36.83 9.17 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.017 -1.052 . . . . 0.0 113.276 -176.817 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.46 -15.3 43.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.475 -1.391 . . . . 0.0 110.668 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.3 mt -111.91 54.83 0.69 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -57.1 -42.31 80.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.052 -1.03 . . . . 0.0 109.604 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -138.1 -11.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.025 -1.047 . . . . 0.0 110.653 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.06 -21.64 63.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.733 -1.23 . . . . 0.0 110.058 -179.157 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -151.9 167.28 28.84 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.818 -1.176 . . . . 0.0 107.997 178.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 13.9 pt-20 -69.43 118.0 11.75 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.791 -1.193 . . . . 0.0 109.083 179.872 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 37' ' ' ASN . 33.3 mt-10 -65.89 154.38 39.41 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 60.7 mt -99.3 139.19 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.254 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -110.17 -24.42 10.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.192 -0.943 . . . . 0.0 109.916 -178.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 41.8 mt-10 -113.14 140.61 47.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.51 -0.744 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -19.51 63.87 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.715 179.182 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.7 pt-20 -60.58 -40.42 91.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.152 -0.968 . . . . 0.0 109.662 -179.104 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 57.3 t -60.27 -39.16 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.8 -38.5 82.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.705 -0.622 . . . . 0.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.87 -38.56 89.13 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.499 -0.751 . . . . 0.0 109.84 -179.124 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -67.25 -39.9 86.18 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -66.76 -32.6 58.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 179.044 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.6 mmm -70.02 -27.37 64.62 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.836 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.79 -39.87 78.53 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -76.31 -42.5 44.95 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.124 178.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -90.11 -14.81 32.93 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.782 -1.199 . . . . 0.0 111.052 -178.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.63 ' N ' ' O ' ' A' ' 57' ' ' MET . 64.0 t0 -81.59 59.78 4.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 72.0 mt-10 -59.63 -39.1 83.2 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.106 -178.047 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 65' ' ' ASP . 58.7 p30 -80.54 -5.99 57.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.925 -1.109 . . . . 0.0 108.833 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 64.27 35.98 92.64 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.86 178.667 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.7 p-10 -107.02 0.62 23.77 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.009 -1.289 . . . . 0.0 110.062 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.71 6.13 89.56 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 -179.244 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 70.2 mt-10 -139.41 136.52 34.78 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.674 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.423 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -100.18 121.26 41.16 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.728 -1.232 . . . . 0.0 107.769 -179.932 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.4 t0 -59.92 163.69 4.43 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.271 -0.893 . . . . 0.0 108.684 -178.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.4 t80 -48.26 -40.01 23.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.665 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.9 -46.43 89.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.689 -0.632 . . . . 0.0 110.448 178.678 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 42.6 mt-10 -62.64 -40.03 95.72 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 110.967 -177.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -69.83 -32.9 71.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.65 -1.281 . . . . 0.0 109.163 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.485 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 72.9 mmm -60.14 -38.38 82.92 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.331 0.586 . . . . 0.0 110.36 -179.09 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.415 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.22 -34.74 78.12 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.781 -1.199 . . . . 0.0 110.154 -178.825 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.32 -26.02 66.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.392 -0.817 . . . . 0.0 110.119 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.09 -32.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.081 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 -178.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 11.3 p -67.67 -41.01 84.4 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.927 -178.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ptm -73.49 -42.13 62.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 110.948 -179.458 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.09 -37.68 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.675 -1.266 . . . . 0.0 109.428 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' CYS . 99.0 m -59.39 -39.57 83.81 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -48.58 -40.27 26.7 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.11 -34.46 78.47 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.1 t -59.99 -38.09 81.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 179.462 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -60.0 -40.35 88.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.064 -1.022 . . . . 0.0 108.633 -179.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.03 -39.67 86.7 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.29 -24.4 29.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.651 -0.656 . . . . 0.0 110.228 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 84' ' ' CYS . 57.1 t80 . . . . . 0 C--N 1.303 -1.449 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m 57.8 27.07 13.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 0.0 108.839 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.4 mt-10 -77.09 -12.96 60.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.755 -0.59 . . . . 0.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 1.6 pt? -46.88 -18.27 0.07 Allowed 'General case' 0 C--O 1.199 -1.58 0 O-C-N 120.771 -1.206 . . . . 0.0 110.418 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 2' ' ' GLU . 98.9 mt-10 -65.04 -39.53 93.47 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.46 -1.4 . . . . 0.0 109.336 -179.584 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -77.12 -36.82 55.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.36 -46.9 81.4 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.596 -0.69 . . . . 0.0 110.744 -178.9 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.8 mtt -60.85 -40.8 94.24 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.382 -0.824 . . . . 0.0 109.914 -179.349 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.7 -38.59 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-O 121.924 0.868 . . . . 0.0 109.492 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.77 80.18 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.727 -0.608 . . . . 0.0 111.768 -178.227 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.0 -40.09 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.621 -178.386 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.54 -40.15 83.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.302 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.1 -50.12 74.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.04 . . . . 0.0 111.092 -178.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -40.0 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.55 -0.719 . . . . 0.0 110.038 -179.097 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -55.0 -40.07 69.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.262 -179.409 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -78.91 -20.87 48.33 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.304 -0.872 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -58.59 -42.42 88.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.652 -1.28 . . . . 0.0 111.319 -177.482 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.2 p90 -114.7 -25.06 8.43 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 121.061 -1.024 . . . . 0.0 111.411 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 50.6 m -61.37 -41.32 96.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.655 -1.278 . . . . 0.0 110.173 -179.188 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.71 -9.91 86.15 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 119.231 -1.462 . . . . 0.0 109.973 -179.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.16 -42.42 94.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -1.225 . . . . 0.0 109.321 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -80.28 -78.27 0.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.339 -178.7 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.74 -37.24 0.03 OUTLIER Glycine 0 N--CA 1.487 2.087 0 C-N-CA 119.268 -1.444 . . . . 0.0 110.524 -179.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.99 106.65 14.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.662 -1.493 . . . . 0.0 109.602 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -84.87 -26.51 27.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.66 -0.65 . . . . 0.0 109.77 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -100.1 -2.75 33.42 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 -178.894 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -140.22 140.1 35.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.078 -1.014 . . . . 0.0 109.313 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -105.85 135.13 47.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' B' ' 30' ' ' SER . 86.2 mttt -102.02 152.4 21.01 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.64 -22.84 1.44 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' C ' ' B' ' 28' ' ' LYS . 81.3 p -76.41 -46.15 28.45 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.938 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 18' ' ' SER . 50.1 mt-10 -68.49 -36.88 79.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.016 -1.053 . . . . 0.0 108.3 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.28 -41.75 89.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.264 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.49 -39.03 92.18 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.437 -0.789 . . . . 0.0 109.449 178.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.53 -39.36 87.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.303 -0.873 . . . . 0.0 110.311 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -43.49 72.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.682 -1.261 . . . . 0.0 109.014 179.848 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.6 mt -69.5 -44.03 80.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 O-C-N 121.437 -0.789 . . . . 0.0 111.741 -177.439 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 2.0 m-20 -80.89 -34.27 33.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.811 -1.181 . . . . 0.0 112.64 -177.866 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.507 HD21 ' N ' ' B' ' 38' ' ' ASN . 2.5 m120 -100.48 -38.34 8.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.077 -1.015 . . . . 0.0 113.151 -176.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -84.19 -15.25 47.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.5 -1.375 . . . . 0.0 110.887 -177.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -111.63 54.69 0.68 Allowed 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.075 -1.016 . . . . 0.0 109.627 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -57.17 -42.22 80.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.034 -1.041 . . . . 0.0 109.501 -179.641 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -137.71 -11.46 1.56 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.986 -1.071 . . . . 0.0 110.58 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.08 -22.39 63.05 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.904 -1.123 . . . . 0.0 109.936 -179.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -151.93 166.47 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.998 -1.064 . . . . 0.0 108.32 178.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 15.4 pt-20 -68.84 118.4 11.75 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.678 -1.264 . . . . 0.0 109.124 179.779 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 33.0 mt-10 -65.96 153.75 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.239 -0.913 . . . . 0.0 109.637 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.512 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 60.8 mt -98.88 138.92 21.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.253 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.412 ' HZ2' ' HB2' ' B' ' 46' ' ' GLU . 25.5 mmtt -110.15 -23.02 11.49 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.142 -0.974 . . . . 0.0 110.151 -178.228 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 41.8 mt-10 -114.68 141.01 48.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.495 -0.753 . . . . 0.0 109.072 179.89 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -19.4 63.78 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.493 -0.883 . . . . 0.0 108.924 179.261 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 9.1 pt-20 -60.42 -40.55 91.43 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.737 -179.212 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 66.4 t -59.91 -39.86 81.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.606 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.45 -39.14 84.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.7 -0.625 . . . . 0.0 110.181 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -65.11 -38.81 91.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.596 0.712 . . . . 0.0 109.911 -179.171 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.27 -40.11 86.13 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.73 -32.54 58.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.024 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.651 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.0 mmm -69.97 -27.71 64.94 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.497 -0.881 . . . . 0.0 108.729 179.111 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.53 -39.77 77.32 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 178.176 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.6 m -75.95 -43.46 44.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.816 -0.552 . . . . 0.0 110.761 178.724 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.27 -14.85 34.91 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.055 -1.028 . . . . 0.0 111.202 -177.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -82.06 60.06 4.69 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 179.319 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 65.7 mt-10 -59.54 -39.47 84.05 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.993 -177.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -80.65 -6.71 58.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.804 -1.185 . . . . 0.0 109.015 179.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.93 36.62 93.29 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.976 178.812 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.11 1.49 24.22 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.098 -1.237 . . . . 0.0 109.914 179.822 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.13 6.5 89.15 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 68.7 mt-10 -139.73 136.67 34.42 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.769 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -99.76 121.81 41.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.724 -1.235 . . . . 0.0 108.055 -179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 43.2 t0 -59.63 164.53 3.52 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.172 -0.955 . . . . 0.0 108.797 -179.443 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.4 t80 -49.32 -40.17 34.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.82 -46.74 88.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.472 0.653 . . . . 0.0 110.457 178.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 42.0 mt-10 -61.85 -40.8 96.59 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.049 -1.032 . . . . 0.0 110.98 -178.313 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -69.45 -32.6 71.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.793 -1.192 . . . . 0.0 109.078 179.286 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.5 mmm -60.4 -39.37 87.08 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.596 -0.69 . . . . 0.0 110.361 -179.231 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.409 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.0 -35.43 80.56 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.67 -1.269 . . . . 0.0 110.047 -178.845 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.16 -25.43 65.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 -179.655 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -77.57 -33.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.091 -1.006 . . . . 0.0 109.465 -178.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 10.7 p -66.97 -40.77 87.53 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.805 -178.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.21 -41.64 61.06 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.857 -1.152 . . . . 0.0 111.048 -179.387 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.3 -37.6 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.562 -1.336 . . . . 0.0 109.267 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' ' N ' ' B' ' 84' ' ' CYS . 97.0 m -59.44 -39.87 84.95 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -48.37 -39.69 23.11 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.609 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.06 79.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' B' ' 88' ' ' PHE . 8.7 t -59.92 -38.48 82.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.431 -0.793 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.99 -39.98 87.57 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.954 -1.091 . . . . 0.0 108.687 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.34 -39.03 85.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -84.77 -24.53 28.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.815 . . . . 0.0 110.017 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.8 t80 . . . . . 0 C--N 1.301 -1.533 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.826 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.564 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 8.0 p-80 -57.5 -35.8 70.7 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.556 -1.34 . . . . 0.0 108.602 179.683 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.4 tttt -59.59 -34.52 72.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.603 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -55.4 -40.06 70.95 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.781 -1.199 . . . . 0.0 107.909 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . 0.435 HD12 ' HZ2' ' X' ' 111' ' ' LYS . 8.1 tp -73.06 -25.21 60.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.641 -0.662 . . . . 0.0 110.39 179.632 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.24 -24.37 54.26 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.512 -1.367 . . . . 0.0 109.382 -179.485 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' X' ' 109' ' ' MET . 1.7 p90 -41.44 -39.7 1.57 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.389 -0.819 . . . . 0.0 109.586 -179.085 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.435 ' HZ2' HD12 ' X' ' 108' ' ' LEU . 14.6 mtmt -71.46 -43.47 66.58 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.856 -1.153 . . . . 0.0 108.12 176.736 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 0.7 OUTLIER -66.31 -27.2 67.73 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.825 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' X' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.406 0 O-C-N 121.602 -0.686 . . . . 0.0 . 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.1 p-80 -57.03 -36.76 70.84 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.681 -1.262 . . . . 0.0 108.743 179.489 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.596 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.5 tttt -58.77 -34.67 71.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.534 -0.729 . . . . 0.0 109.063 179.493 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -55.51 -39.82 71.0 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.622 -1.299 . . . . 0.0 108.165 179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . 0.405 HD12 ' HZ3' ' Y' ' 111' ' ' LYS . 8.9 tp -73.31 -25.6 60.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.675 -0.641 . . . . 0.0 110.331 179.46 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.54 -24.44 46.84 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.633 -1.292 . . . . 0.0 109.361 -179.403 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' Y' ' 109' ' ' MET . 1.7 p90 -41.35 -39.03 1.33 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.547 -0.721 . . . . 0.0 109.746 -179.013 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.406 ' HG3' ' CZ ' ' Y' ' 110' ' ' PHE . 15.1 mtmt -72.13 -44.08 63.7 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.498 ' N ' ' O ' ' Y' ' 109' ' ' MET . 0.7 OUTLIER -65.28 -27.68 68.8 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.779 -179.085 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' Y' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.666 -0.647 . . . . 0.0 . -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.244 0.545 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 3' ' ' LEU . 32.5 p 49.99 20.74 0.62 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.245 -0.91 . . . . 0.0 109.679 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -76.49 8.36 3.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 109.311 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 1' ' ' SER . 3.7 tt -59.97 -36.54 77.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.721 -0.612 . . . . 0.0 111.771 -178.547 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.01 -39.92 87.49 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.816 -1.177 . . . . 0.0 109.605 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -69.54 -33.32 72.62 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.376 -0.828 . . . . 0.0 109.172 -179.062 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.03 79.81 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.767 -179.345 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.9 mtt -64.96 -40.05 94.42 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.15 -0.969 . . . . 0.0 109.205 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.99 -39.91 86.99 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.66 0.743 . . . . 0.0 109.206 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.47 93.6 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.837 -0.539 . . . . 0.0 111.121 -179.043 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.08 -39.85 87.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.911 -1.118 . . . . 0.0 108.861 -178.611 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.87 -37.82 79.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.593 -0.692 . . . . 0.0 110.415 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.02 -48.21 82.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.699 -1.251 . . . . 0.0 110.656 -179.059 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -39.95 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.751 -178.791 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.08 -40.01 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.36 -0.838 . . . . 0.0 109.614 -179.316 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.98 -39.61 86.26 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.168 -0.957 . . . . 0.0 111.007 -178.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.888 -1.132 . . . . 0.0 111.353 -178.183 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 47.0 m-85 -89.32 -28.68 19.68 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.695 -1.253 . . . . 0.0 112.404 -178.286 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -63.04 -39.98 96.35 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.792 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.1 -7.22 85.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.54 -43.37 98.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.071 -1.252 . . . . 0.0 110.866 -178.763 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -100.8 -5.75 25.84 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.077 -1.014 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.92 -17.2 58.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.155 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' LYS . 73.0 m-20 -82.91 68.86 9.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.786 -1.42 . . . . 0.0 108.367 179.391 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.808 -0.558 . . . . 0.0 110.877 -179.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -77.34 -19.99 55.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.208 -0.932 . . . . 0.0 111.6 -177.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . 15.0 ptpt -148.23 159.1 44.32 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.561 -1.337 . . . . 0.0 111.307 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -109.83 136.73 48.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 40.2 mtmt -106.86 156.54 18.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.299 -0.875 . . . . 0.0 108.739 179.214 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.583 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 14.8 ttmm -44.21 -27.32 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -0.874 . . . . 0.0 108.753 179.371 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' LYS . 67.3 m -77.36 -48.48 17.21 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.296 0.57 . . . . 0.0 109.817 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.3 tt0 -70.03 -29.96 67.14 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.42 -39.94 92.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.567 -0.708 . . . . 0.0 109.531 178.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.126 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 4.2 tp10 -70.81 -37.06 73.24 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 109.614 -178.897 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.7 tm? -60.43 -50.01 75.28 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.701 -1.249 . . . . 0.0 108.682 179.372 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -74.52 -48.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 -178.282 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.7 t-20 -66.44 -40.45 89.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.151 -0.968 . . . . 0.0 112.984 -176.319 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE2' ' A' ' 34' ' ' GLU . 4.5 m120 -98.07 -34.67 10.69 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.122 -0.986 . . . . 0.0 113.649 -176.659 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.01 -10.86 59.8 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.059 -1.651 . . . . 0.0 109.317 -178.253 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mt -132.11 58.98 1.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.749 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' ND1' ' A' ' 42' ' ' HIS . 54.3 p -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 110.503 -178.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.534 ' ND1' ' OG ' ' A' ' 41' ' ' SER . 17.5 p-80 -134.88 -16.73 1.95 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.127 -0.983 . . . . 0.0 110.656 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.38 -39.33 94.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.746 -1.221 . . . . 0.0 109.223 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.405 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -126.75 157.78 38.23 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.817 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 7.7 pt-20 -57.97 116.97 3.84 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.322 -1.486 . . . . 0.0 109.024 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.01 146.96 40.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.514 -0.741 . . . . 0.0 109.217 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -82.3 137.46 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.769 -1.207 . . . . 0.0 108.184 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -106.71 -18.61 13.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.416 -0.803 . . . . 0.0 110.048 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -143.13 140.17 30.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.079 -178.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.97 -31.05 69.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.922 . . . . 0.0 110.364 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -51.69 -34.47 38.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.007 -1.058 . . . . 0.0 109.738 -178.459 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.54 -38.56 81.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 108.504 178.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.7 -33.37 59.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -66.68 -37.81 85.52 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.788 0.804 . . . . 0.0 109.315 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.96 -39.98 87.38 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.651 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 40.4 t -64.82 -31.41 53.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.553 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.583 ' SD ' ' NZ ' ' A' ' 29' ' ' LYS . 2.7 mtt -70.05 -32.85 71.16 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.946 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -39.93 77.6 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.125 -1.609 . . . . 0.0 106.825 179.028 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.4 m -87.87 -40.04 14.31 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 tp -88.45 -17.21 30.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 110.947 -177.11 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.4 t0 -81.08 63.36 5.41 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 75.4 mt-10 -57.71 -40.01 78.56 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 81.9 m-20 -71.18 -19.98 62.34 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.688 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.32 31.22 79.77 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 31.9 p-10 -107.85 5.94 26.94 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.111 -1.229 . . . . 0.0 110.239 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.82 10.01 86.15 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.49 -1.844 . . . . 0.0 108.49 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 73.5 mt-10 -146.27 135.59 22.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 136.37 43.38 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.648 -1.283 . . . . 0.0 107.705 178.814 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 31.7 t0 -78.9 169.99 17.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.357 -0.839 . . . . 0.0 109.537 -178.914 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 8.5 t80 -49.45 -38.73 30.66 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.269 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.77 -50.51 72.07 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.804 -0.56 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 41.8 mt-10 -61.31 -40.28 93.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 110.531 -177.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.7 -30.75 69.47 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 108.733 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.513 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.08 -39.97 87.91 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.572 0.701 . . . . 0.0 109.477 -178.452 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.31 68.51 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 110.19 -179.322 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.81 -24.37 67.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.032 -1.043 . . . . 0.0 108.926 179.519 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 t -71.2 -39.66 73.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.82 0.819 . . . . 0.0 109.485 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.523 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -70.07 -43.39 71.26 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.456 -177.616 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -40.46 90.21 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.634 -1.291 . . . . 0.0 110.851 -178.304 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.8 t -69.97 -33.09 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.604 -1.31 . . . . 0.0 108.85 -179.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 108.684 179.745 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -59.97 -39.79 86.84 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.499 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.66 80.62 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.06 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -59.3 -33.69 71.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.375 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.986 -1.071 . . . . 0.0 108.777 179.5 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -40.08 93.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 178.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.16 -39.98 74.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 109.489 179.496 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 p 49.94 20.84 0.62 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.4 8.23 3.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.452 -0.78 . . . . 0.0 109.296 179.643 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.93 -36.39 76.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.573 -0.705 . . . . 0.0 111.81 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.01 -39.97 87.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.735 -1.228 . . . . 0.0 109.56 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.416 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -69.15 -33.77 73.94 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.424 -0.797 . . . . 0.0 109.171 -179.2 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.01 80.43 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.492 -0.755 . . . . 0.0 110.789 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -65.16 -39.98 93.71 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.108 -0.995 . . . . 0.0 109.213 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.87 -39.94 86.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.708 0.766 . . . . 0.0 109.173 -179.698 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.31 93.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.825 -0.547 . . . . 0.0 111.225 -178.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.827 -1.17 . . . . 0.0 108.774 -178.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.77 -37.83 79.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.582 -0.699 . . . . 0.0 110.523 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -48.27 82.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.744 -1.223 . . . . 0.0 110.687 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -40.04 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.89 -40.05 83.28 Favored 'General case' 0 C--O 1.201 -1.481 0 O-C-N 121.299 -0.875 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -59.97 -39.63 86.3 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.233 -0.917 . . . . 0.0 110.996 -178.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.905 -1.122 . . . . 0.0 111.394 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.456 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 47.9 m-85 -89.35 -28.65 19.67 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.698 -1.251 . . . . 0.0 112.46 -178.264 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -63.05 -40.0 96.41 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -178.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.12 -7.22 85.56 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.09 -1.241 . . . . 0.0 110.881 -178.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -100.62 -6.15 25.64 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.088 -1.007 . . . . 0.0 109.761 -179.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.11 -17.07 58.57 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.218 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.0 m-20 -82.96 69.12 9.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.742 -1.446 . . . . 0.0 108.395 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -60.07 -39.99 87.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.845 -0.534 . . . . 0.0 110.908 -178.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.52 -20.1 54.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.199 -0.938 . . . . 0.0 111.719 -178.015 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' B' ' 23' ' ' ASP . 15.2 ptpt -147.78 159.37 43.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.575 -1.328 . . . . 0.0 111.21 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.3 mt -110.34 136.92 48.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 30' ' ' SER . 39.4 mtmt -106.88 156.8 18.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.858 . . . . 0.0 108.712 179.268 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.582 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 14.7 ttmm -44.37 -27.23 0.41 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.329 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.7 m -77.51 -48.24 17.55 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.842 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 28.9 tt0 -69.96 -30.35 67.7 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.25 -39.96 93.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.629 -0.669 . . . . 0.0 109.558 178.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.05 -40.01 87.93 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.29 -0.881 . . . . 0.0 110.13 -179.67 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 4.3 tp10 -70.65 -37.36 73.71 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 109.607 -178.923 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.7 tm? -60.29 -50.02 75.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -74.51 -48.66 34.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 111.597 -178.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.5 t-20 -66.5 -40.46 89.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.078 -1.013 . . . . 0.0 113.002 -176.328 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.438 ' OD1' ' OE2' ' B' ' 34' ' ' GLU . 4.5 m120 -98.05 -34.67 10.7 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.629 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.98 -11.51 59.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.08 -1.637 . . . . 0.0 109.307 -178.205 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.22 58.87 1.7 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' ND1' ' B' ' 42' ' ' HIS . 56.7 p -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 0.0 110.473 -178.853 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.532 ' ND1' ' OG ' ' B' ' 41' ' ' SER . 17.3 p-80 -134.96 -16.32 1.95 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.163 -0.961 . . . . 0.0 110.619 -179.283 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.54 -39.5 94.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 109.231 -179.721 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.407 ' CD2' ' H ' ' B' ' 45' ' ' GLU . 0.5 OUTLIER -126.53 158.53 35.92 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.778 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 8.7 pt-20 -58.5 117.33 4.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.299 -1.501 . . . . 0.0 109.005 -179.55 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 147.0 40.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.534 -0.729 . . . . 0.0 109.092 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -82.51 137.26 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.135 . . . . 0.0 108.156 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -106.47 -18.92 13.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.44 -0.788 . . . . 0.0 110.089 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -143.05 140.32 30.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.212 -0.93 . . . . 0.0 109.087 -178.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.91 -31.29 69.68 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.311 -0.868 . . . . 0.0 110.351 -179.296 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -51.67 -34.39 38.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.083 -1.011 . . . . 0.0 109.714 -178.392 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.67 -38.45 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.204 -0.935 . . . . 0.0 108.572 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.55 -33.64 61.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -66.61 -37.6 85.21 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.734 0.778 . . . . 0.0 109.343 179.753 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HZ1' ' CB ' ' B' ' 55' ' ' LYS . 3.6 ttmp? -67.07 -40.06 86.98 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.753 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.617 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 39.3 t -64.85 -31.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.652 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.582 ' SD ' ' NZ ' ' B' ' 29' ' ' LYS . 2.8 mtt -70.03 -32.84 71.19 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.95 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -40.01 77.77 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.04 -1.662 . . . . 0.0 106.826 179.034 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.8 m -87.85 -40.02 14.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.899 -0.501 . . . . 0.0 111.069 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.3 tp -88.49 -17.17 30.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.1 -1.0 . . . . 0.0 111.029 -177.084 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.7 t0 -80.97 63.34 5.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.439 -1.413 . . . . 0.0 107.234 178.799 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 79.5 mt-10 -57.51 -40.05 77.86 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.034 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 79.9 m-20 -71.59 -19.93 62.07 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.62 31.25 79.43 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 31.8 p-10 -107.82 5.8 26.86 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.067 -1.255 . . . . 0.0 110.263 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.88 9.96 86.17 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.524 -1.831 . . . . 0.0 108.524 -179.385 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 73.6 mt-10 -146.22 135.5 22.84 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 136.21 43.59 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.686 -1.259 . . . . 0.0 107.658 178.835 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 33.3 t0 -78.97 169.98 17.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.387 -0.82 . . . . 0.0 109.503 -178.905 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 9.5 t80 -49.38 -39.01 30.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.248 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.65 -50.73 71.36 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.804 -0.56 . . . . 0.0 111.186 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 41.1 mt-10 -60.7 -40.74 93.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.046 -1.034 . . . . 0.0 110.614 -178.128 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -68.75 -30.48 69.1 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 108.782 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.01 87.76 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.612 0.72 . . . . 0.0 109.425 -178.635 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.27 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.795 -1.19 . . . . 0.0 110.246 -179.209 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -63.67 -24.55 67.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.033 -1.042 . . . . 0.0 108.964 179.41 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.52 -39.02 69.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 O-C-N 121.33 -0.856 . . . . 0.0 109.594 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.513 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -70.22 -43.52 70.47 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.358 -177.782 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.637 -1.289 . . . . 0.0 110.869 -178.385 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 19.9 t -70.02 -32.92 53.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.563 -1.336 . . . . 0.0 108.987 -179.822 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -60.01 -40.06 87.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -59.98 -39.93 87.39 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.472 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.16 78.92 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.26 -34.14 71.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.506 -0.747 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.05 -41.1 91.6 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.985 -1.072 . . . . 0.0 108.739 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.59 -40.01 93.23 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.42 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.0 109.541 179.441 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.651 ' HE2' ' CG2' ' A' ' 56' ' ' VAL . 36.4 t-80 -57.57 -37.38 73.08 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.116 -0.99 . . . . 0.0 108.45 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -31.84 70.24 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 17.9 pttt -55.17 -32.16 61.93 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -24.89 52.53 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.007 0.908 . . . . 0.0 109.665 179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.9 -24.71 64.52 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.155 -1.591 . . . . 0.0 109.216 179.638 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.516 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.9 OUTLIER -48.82 -28.61 3.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.556 -1.34 . . . . 0.0 109.292 -179.107 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -69.98 -40.0 75.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.721 -1.237 . . . . 0.0 107.769 176.129 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.5 p -60.05 -32.45 70.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.236 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 0.0 . 179.869 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.617 ' HE2' ' CG2' ' B' ' 56' ' ' VAL . 36.8 t-80 -57.47 -37.63 73.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.111 -0.993 . . . . 0.0 108.434 179.725 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.01 -31.37 69.87 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.092 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 19.4 pttt -55.43 -32.05 62.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.78 -1.2 . . . . 0.0 107.802 179.589 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -24.87 52.54 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.987 0.898 . . . . 0.0 109.65 179.697 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -60.0 -24.73 64.71 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.162 -1.586 . . . . 0.0 109.277 179.72 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.508 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.9 OUTLIER -48.65 -28.76 3.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.587 -1.321 . . . . 0.0 109.342 -179.269 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.508 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.689 -1.257 . . . . 0.0 107.758 176.167 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.482 ' N ' ' O ' ' Y' ' 109' ' ' MET . 44.9 p -59.98 -31.9 70.33 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.284 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 . 179.802 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m 58.1 21.81 8.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.418 -0.801 . . . . 0.0 109.481 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -77.8 9.84 3.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.84 . . . . 0.0 109.422 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.86 -38.02 80.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 0.0 110.471 -177.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.13 -39.8 87.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.809 -1.182 . . . . 0.0 110.082 -179.205 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.407 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.4 mppt? -67.94 -39.08 83.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 109.898 -179.445 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.05 85.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.118 -0.989 . . . . 0.0 110.849 -178.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.0 mtt -62.07 -40.05 94.5 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.127 -0.983 . . . . 0.0 109.356 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.34 -39.27 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-O 121.609 0.718 . . . . 0.0 109.098 -179.683 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.84 95.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.724 -0.61 . . . . 0.0 111.624 -178.455 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.98 -40.01 87.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.657 -1.277 . . . . 0.0 108.347 -179.239 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 11' ' ' ILE . 90.1 mt -66.32 -39.98 85.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.655 -0.653 . . . . 0.0 110.992 -179.36 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -66.87 -40.12 87.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.631 -1.293 . . . . 0.0 111.757 -178.205 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.91 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.275 -0.891 . . . . 0.0 110.672 -178.325 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.48 -39.95 68.0 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.205 -0.934 . . . . 0.0 109.067 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -77.41 -22.16 52.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.611 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -55.53 -46.65 77.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.687 -1.258 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 29.1 p90 -114.1 -25.83 8.35 Favored 'General case' 0 N--CA 1.507 2.399 0 C-N-CA 119.696 -0.801 . . . . 0.0 112.168 -177.73 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -67.56 -40.07 84.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.555 -1.34 . . . . 0.0 110.754 -178.487 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.26 59.83 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.424 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.507 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 61.7 mtp180 -59.96 -49.97 75.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.548 -1.56 . . . . 0.0 109.108 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -93.04 165.74 12.7 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.716 -179.082 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.5 -18.25 15.0 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.527 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.519 ' OD1' ' NZ ' ' A' ' 26' ' ' LYS . 90.5 m-20 -73.1 51.36 0.3 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.003 -1.293 . . . . 0.0 109.746 -179.564 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -71.54 -40.07 70.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.728 -1.232 . . . . 0.0 110.194 179.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.43 -0.2 57.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.233 -0.917 . . . . 0.0 110.354 -178.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 19.0 pttp -148.13 167.73 24.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.232 -0.917 . . . . 0.0 108.784 -179.748 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 tp -122.48 131.64 53.96 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.189 -0.944 . . . . 0.0 109.062 -179.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 23.0 tptm -106.74 145.94 31.45 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.095 -1.003 . . . . 0.0 109.203 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ttmm -38.09 -24.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.571 0.7 . . . . 0.0 109.215 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' LYS . 15.5 t -74.52 -50.01 19.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.804 . . . . 0.0 109.276 179.373 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.2 mt-10 -68.05 -35.05 77.6 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.123 -0.985 . . . . 0.0 108.913 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.167 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' CE ' ' ND2' ' A' ' 37' ' ' ASN . 86.4 tttt -60.41 -39.42 87.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 179.091 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 86.4 tt0 -62.42 -39.9 94.82 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.901 0.858 . . . . 0.0 109.238 -179.266 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD2' ' OE1' ' A' ' 39' ' ' GLU . 2.9 tm? -60.1 -49.04 79.2 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.878 -1.139 . . . . 0.0 108.605 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.55 -47.94 43.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.5 -0.75 . . . . 0.0 112.208 -177.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 96.2 m-20 -79.52 -46.56 17.16 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.538 -1.351 . . . . 0.0 112.742 -176.39 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.463 HD21 ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -77.12 -50.53 12.82 Favored 'General case' 0 C--N 1.285 -2.229 0 O-C-N 121.464 -0.773 . . . . 0.0 112.98 -176.497 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' ' CD2' ' A' ' 35' ' ' LEU . 75.8 tt0 -71.43 -39.99 70.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.623 -1.298 . . . . 0.0 110.276 -178.164 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.66 61.84 1.36 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.338 -0.851 . . . . 0.0 108.731 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 109.921 -179.544 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -136.54 -14.96 1.66 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.218 -0.926 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.5 t80 -66.97 -35.11 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.026 -1.046 . . . . 0.0 109.74 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -130.02 160.36 33.91 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.69 114.39 4.95 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.816 -1.178 . . . . 0.0 109.975 -178.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -59.92 141.99 54.48 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.237 0.541 . . . . 0.0 110.184 179.718 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 5.8 mm -76.1 135.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 108.894 179.49 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -2.35 26.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.539 -0.726 . . . . 0.0 110.712 -178.716 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -152.29 132.89 13.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.943 -1.098 . . . . 0.0 108.985 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 3.2 tm0? -60.05 -28.08 67.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 0.0 111.223 -179.128 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 18.1 pt-20 -60.01 -36.84 78.1 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.858 -1.151 . . . . 0.0 109.643 -179.252 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.02 -37.01 70.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.58 -1.266 . . . . 0.0 107.58 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.73 -33.88 64.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -66.45 -36.72 83.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.344 -0.848 . . . . 0.0 109.397 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -68.37 -39.8 81.66 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.488 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 45.2 t -60.2 -38.57 77.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 61' ' ' ASP . 67.2 mmm -70.55 -23.71 62.66 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.271 179.885 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.35 -39.97 84.9 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 119.96 -1.713 . . . . 0.0 106.606 178.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -40.22 15.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.501 -0.75 . . . . 0.0 109.705 178.34 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.98 -27.25 57.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.129 -0.982 . . . . 0.0 109.952 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.9 t0 -79.0 58.94 2.54 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.809 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.43 -35.73 72.54 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -179.216 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.28 -11.42 59.91 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.02 29.9 76.21 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 39.4 p-10 -107.88 10.53 28.54 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.184 -1.186 . . . . 0.0 110.284 -179.405 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.513 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.07 3.38 64.59 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 93.3 mt-10 -131.66 131.07 42.86 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.425 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.69 124.49 42.03 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.489 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 56.4 t0 -63.25 158.61 19.71 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -178.775 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 t80 -48.32 -37.5 16.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.127 -0.983 . . . . 0.0 108.861 -179.683 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -69.21 -39.5 78.56 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.907 -1.12 . . . . 0.0 109.99 179.198 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.17 -42.54 99.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.874 -1.141 . . . . 0.0 110.071 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -66.89 -35.32 79.74 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 108.778 179.409 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.412 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.3 mmm -59.96 -36.42 77.07 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.294 0.569 . . . . 0.0 110.103 -179.076 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.38 -34.83 78.09 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.89 -1.131 . . . . 0.0 110.795 -179.283 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.96 -39.87 87.11 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.974 -1.079 . . . . 0.0 109.339 -179.727 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.295 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.214 -179.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 59.6 p -61.51 -40.03 93.14 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.424 -0.798 . . . . 0.0 110.236 -178.378 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 mtm -74.24 -43.96 54.95 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.88 -178.402 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.96 -37.87 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.85 -1.156 . . . . 0.0 110.206 -178.357 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.7 m -59.96 -37.75 80.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.05 -40.18 73.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.694 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.94 84.21 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.299 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.8 t -59.86 -33.4 71.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.436 -0.79 . . . . 0.0 109.236 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.419 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 14.0 t-80 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.949 -1.094 . . . . 0.0 109.105 -179.581 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.68 -41.24 94.7 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.09 -39.61 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.559 -0.713 . . . . 0.0 109.606 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.309 0.576 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m 57.51 22.71 8.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.475 -0.766 . . . . 0.0 109.43 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -78.04 9.88 3.33 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 109.356 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.87 -38.49 82.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 110.581 -177.597 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.96 -39.91 87.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.813 -1.179 . . . . 0.0 110.049 -179.019 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.408 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.2 mppt? -67.53 -39.57 85.06 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.32 -0.863 . . . . 0.0 109.909 -179.547 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.13 86.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.17 -0.956 . . . . 0.0 110.822 -178.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.2 mtt -62.3 -40.04 94.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 109.438 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.34 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.1 96.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.729 -0.607 . . . . 0.0 111.663 -178.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.91 -40.04 87.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.643 -1.286 . . . . 0.0 108.395 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.5 mt -66.19 -40.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.696 -0.627 . . . . 0.0 111.05 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.91 -40.06 87.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.712 -1.242 . . . . 0.0 111.762 -178.252 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -39.62 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.298 -0.876 . . . . 0.0 110.722 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.5 -40.06 68.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 0.0 109.055 179.815 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -77.37 -22.18 52.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.941 . . . . 0.0 111.62 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.32 -46.84 76.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.663 -1.273 . . . . 0.0 110.717 -178.413 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 27.2 p90 -114.07 -25.9 8.33 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.376 -0.827 . . . . 0.0 112.339 -177.695 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -67.52 -39.98 85.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.674 -1.267 . . . . 0.0 110.679 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.41 -8.74 60.01 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.484 -178.328 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.521 ' NH1' ' OE2' ' B' ' 34' ' ' GLU . 60.5 mtp180 -60.07 -49.91 75.78 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.596 -1.532 . . . . 0.0 109.074 179.706 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -92.99 166.02 12.58 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.521 0.677 . . . . 0.0 109.814 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.31 -19.02 15.59 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.523 ' OD1' ' NZ ' ' B' ' 26' ' ' LYS . 91.2 m-20 -72.99 51.31 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.004 -1.292 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -71.5 -40.03 70.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.722 -1.236 . . . . 0.0 110.235 179.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -89.32 -0.06 57.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.264 -0.897 . . . . 0.0 110.278 -178.485 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.523 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 20.3 pttp -148.35 168.11 23.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 108.888 -179.601 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -123.18 131.57 53.73 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 109.141 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.561 ' O ' ' N ' ' B' ' 30' ' ' SER . 22.2 tptm -106.57 146.12 31.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.147 -0.97 . . . . 0.0 109.231 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ttmm -38.2 -24.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.56 0.695 . . . . 0.0 109.196 178.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.561 ' N ' ' O ' ' B' ' 28' ' ' LYS . 14.3 t -74.64 -50.03 19.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.425 -0.797 . . . . 0.0 109.307 179.386 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 70.2 mt-10 -67.86 -35.16 78.06 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.083 -1.011 . . . . 0.0 108.906 179.002 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.03 -42.76 95.1 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.315 -0.866 . . . . 0.0 109.155 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.47 -39.63 88.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.203 -0.935 . . . . 0.0 109.186 179.023 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.521 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 86.9 tt0 -62.21 -39.82 94.04 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.907 0.86 . . . . 0.0 109.303 -179.209 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' B' ' 39' ' ' GLU . 2.9 tm? -60.21 -48.78 80.27 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 120.929 -1.107 . . . . 0.0 108.633 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.04 -47.76 40.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.452 -0.78 . . . . 0.0 112.134 -177.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.7 m-20 -79.4 -47.04 16.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.606 -1.309 . . . . 0.0 112.737 -176.292 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.462 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.4 OUTLIER -77.17 -50.26 13.36 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 121.514 -0.741 . . . . 0.0 112.932 -176.402 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' B' ' 35' ' ' LEU . 78.3 tt0 -71.68 -40.11 69.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.581 -1.324 . . . . 0.0 110.319 -178.22 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.31 61.88 1.46 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.338 -0.851 . . . . 0.0 108.802 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.1 m -60.01 -39.98 87.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.338 -0.851 . . . . 0.0 110.078 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.69 -14.92 1.62 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.4 t80 -67.26 -35.05 78.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 0.0 109.809 -179.364 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tp -129.9 160.07 34.68 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.66 114.73 5.18 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.736 -1.227 . . . . 0.0 110.029 -178.811 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -59.8 142.03 54.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.8 -0.563 . . . . 0.0 110.267 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.494 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 5.6 mm -76.12 135.81 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.196 -0.94 . . . . 0.0 108.831 179.375 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -2.41 26.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -178.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -152.52 133.31 14.0 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.973 -1.079 . . . . 0.0 108.993 -179.658 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.461 ' O ' ' NE2' ' B' ' 50' ' ' GLN . 3.0 tm0? -60.12 -28.1 67.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.687 . . . . 0.0 111.277 -179.172 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.517 ' N ' ' OE2' ' B' ' 49' ' ' GLU . 18.3 pt-20 -60.28 -36.7 78.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.908 -1.12 . . . . 0.0 109.797 -179.253 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.02 -37.16 71.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.85 -33.71 63.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -66.5 -36.8 83.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.426 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -68.74 -39.69 80.22 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 54.3 t -59.97 -38.51 76.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 177.877 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 67.5 mmm -70.82 -23.72 62.41 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.29 -39.91 84.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 119.998 -1.689 . . . . 0.0 106.749 178.746 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -40.35 14.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.598 -0.689 . . . . 0.0 109.635 178.435 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.63 -27.73 58.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.254 -0.903 . . . . 0.0 110.006 -179.523 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.3 t0 -78.77 59.15 2.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 178.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -58.95 -35.24 72.82 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -76.43 -11.51 59.9 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.18 29.71 75.74 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.663 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 38.0 p-10 -107.66 10.26 29.04 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.222 -1.164 . . . . 0.0 110.199 -179.409 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.485 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.05 3.63 65.25 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 -179.263 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 93.6 mt-10 -131.61 131.05 42.94 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.71 124.82 42.2 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.531 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.2 t0 -63.37 158.61 20.07 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.325 -0.859 . . . . 0.0 108.757 -178.8 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.2 t80 -48.24 -37.74 16.81 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.169 -0.957 . . . . 0.0 108.77 -179.738 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -69.14 -39.06 79.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.956 -1.09 . . . . 0.0 110.099 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.85 -42.06 99.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.735 -1.228 . . . . 0.0 110.06 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.01 -35.28 79.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.296 -0.877 . . . . 0.0 108.769 179.392 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 76.3 mmm -60.0 -36.46 77.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.255 0.55 . . . . 0.0 110.194 -179.101 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.461 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -67.49 -34.63 77.54 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.91 -39.86 86.84 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.935 -1.103 . . . . 0.0 109.342 -179.831 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.1 -39.35 80.18 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.24 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.217 -178.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 54.1 p -61.57 -40.02 93.23 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.233 -178.341 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.4 mtm -74.43 -43.51 55.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.063 -178.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.05 -38.28 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.983 -1.073 . . . . 0.0 110.048 -178.763 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.2 m -59.85 -37.58 79.65 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -40.18 73.16 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.57 84.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.93 -33.36 71.79 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.469 -0.769 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.436 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 12.2 t-80 -59.94 -40.98 90.82 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.931 -179.61 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.73 -41.25 94.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.0 -1.063 . . . . 0.0 108.179 178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.04 -39.78 75.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 109.514 179.323 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.435 ' HG3' ' H ' ' X' ' 105' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.488 ' HE2' ' CG2' ' A' ' 56' ' ' VAL . 5.0 t-80 -61.26 -38.82 88.06 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.272 179.604 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -59.65 -35.33 74.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.561 -0.712 . . . . 0.0 109.23 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.9 -41.02 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.665 -1.272 . . . . 0.0 108.426 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.5 -30.17 67.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.441 -0.787 . . . . 0.0 109.805 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' X' ' 112' ' ' THR . 34.0 mmt -54.36 -24.41 19.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.957 -1.09 . . . . 0.0 109.25 -179.578 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -40.33 -35.86 0.47 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.596 -0.69 . . . . 0.0 109.646 -179.839 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.468 ' CG ' ' CZ ' ' X' ' 110' ' ' PHE . 17.3 mtmt -79.71 -40.01 29.9 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.006 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 3.4 m -65.62 -41.59 92.5 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.519 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.51 2.57 0 C-N-CA 122.909 0.484 . . . . 0.0 . 179.442 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.425 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.411 0.624 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.47 ' HE2' ' CG2' ' B' ' 56' ' ' VAL . 5.1 t-80 -61.52 -38.2 86.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.222 -0.924 . . . . 0.0 109.272 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.84 -35.5 74.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 0.0 109.13 -179.324 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.92 -40.95 90.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.616 -1.302 . . . . 0.0 108.577 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.35 -30.06 67.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.298 -0.876 . . . . 0.0 109.803 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.502 ' O ' ' N ' ' Y' ' 112' ' ' THR . 34.5 mmt -54.42 -24.47 20.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.979 -1.076 . . . . 0.0 109.283 -179.599 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -40.39 -36.11 0.51 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.595 -0.691 . . . . 0.0 109.556 -179.892 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.458 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 17.4 mtmt -79.53 -40.04 30.52 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.502 ' N ' ' O ' ' Y' ' 109' ' ' MET . 3.6 m -65.72 -40.57 92.36 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.443 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.511 2.604 0 C-N-CA 122.923 0.489 . . . . 0.0 . 179.457 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.36 0.6 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 58.48 24.62 12.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.445 -0.784 . . . . 0.0 109.787 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.06 13.01 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -0.815 . . . . 0.0 108.886 179.232 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -58.65 -35.13 72.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 0.0 109.775 -178.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.928 -1.108 . . . . 0.0 109.269 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -66.28 -40.01 89.78 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.494 -0.754 . . . . 0.0 110.251 -179.572 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.0 77.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.283 -0.885 . . . . 0.0 111.863 -177.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.465 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 37.1 mtt -67.24 -38.34 85.04 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.856 -1.152 . . . . 0.0 109.457 -179.069 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.19 -36.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.753 -0.592 . . . . 0.0 109.849 -179.617 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.66 77.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.571 -0.706 . . . . 0.0 111.477 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.98 -40.09 87.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.835 -1.165 . . . . 0.0 108.575 -179.087 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.48 -38.42 76.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.2 t0 -60.17 -44.6 94.9 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.915 -1.115 . . . . 0.0 111.04 -179.45 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.06 -39.22 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.076 -1.015 . . . . 0.0 109.097 -179.526 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -52.75 -39.7 62.44 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.661 -1.274 . . . . 0.0 108.919 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.97 -21.42 63.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.417 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -45.36 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.197 -0.939 . . . . 0.0 110.0 -178.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -97.41 -34.58 10.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.83 -1.169 . . . . 0.0 111.71 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 2.8 t -60.83 -43.12 98.69 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 120.846 -1.159 . . . . 0.0 110.392 -178.327 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -11.16 82.2 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.01 -43.14 95.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.232 -1.158 . . . . 0.0 109.317 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.49 169.51 8.91 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.662 0.744 . . . . 0.0 110.074 -179.219 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.03 -32.04 62.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 26' ' ' LYS . 10.2 t0 -74.01 68.03 1.33 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.572 -1.546 . . . . 0.0 109.292 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' O ' ' OG ' ' A' ' 18' ' ' SER . 13.6 ttmm -69.97 -40.05 75.6 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.439 -0.788 . . . . 0.0 110.607 -179.762 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.677 ' HD1' ' H ' ' A' ' 25' ' ' HIS . 9.6 p-80 -81.07 -13.88 58.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.127 . . . . 0.0 110.879 -178.302 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 9.1 mtpm? -139.28 152.92 47.64 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -179.179 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.15 125.92 54.64 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.127 0.489 . . . . 0.0 110.628 -178.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -93.12 151.55 19.78 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.353 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -43.59 -22.67 0.05 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.848 -1.158 . . . . 0.0 108.75 -179.842 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LYS . 45.8 t -69.95 -49.3 53.21 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.078 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.75 -33.63 72.71 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.743 -1.223 . . . . 0.0 108.38 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.98 -39.1 84.54 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.807 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.02 -40.05 87.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.443 -0.786 . . . . 0.0 110.047 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.54 -39.3 74.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.012 -1.055 . . . . 0.0 110.383 -178.667 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.83 -50.66 68.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.761 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.7 mt -73.2 -42.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.614 -0.679 . . . . 0.0 111.331 -177.676 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -69.73 -38.5 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.914 -1.116 . . . . 0.0 111.503 -178.135 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.22 -34.89 10.17 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -79.9 -10.92 59.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.228 -1.545 . . . . 0.0 110.237 -177.291 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 mt -117.37 46.62 1.67 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.403 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 0.0 110.443 -178.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -125.95 -6.53 6.7 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.274 -0.891 . . . . 0.0 110.279 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.456 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -61.77 -48.84 78.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 108.62 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.32 -176.56 5.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.0 110.699 -179.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 51.7 tp10 -54.57 98.74 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.61 162.51 12.85 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.544 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.0 139.65 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.98 . . . . 0.0 109.833 -179.172 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -113.66 -26.58 8.18 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.501 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -121.17 147.28 45.81 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.757 0.789 . . . . 0.0 110.283 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.02 -21.32 63.21 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.4 pt-20 -60.29 -39.98 88.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 110.656 -179.177 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 60.4 t -60.02 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.73 -38.08 80.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.333 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.028 0.918 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.58 -29.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.026 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -64.83 -35.18 80.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.36 -39.77 73.43 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.27 -1.519 . . . . 0.0 106.916 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 m -79.23 -44.88 20.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.577 -0.702 . . . . 0.0 111.609 179.504 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 17.4 mt -88.7 -18.29 28.18 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.702 -1.248 . . . . 0.0 111.16 -177.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 57' ' ' MET . 30.9 t0 -81.33 61.48 4.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 179.233 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -60.0 -40.0 87.71 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.629 -177.781 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 40.4 p-10 -89.94 -0.78 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.067 -1.02 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.13 39.74 97.44 Favored Glycine 0 N--CA 1.495 2.582 0 C-N-CA 119.52 -1.324 . . . . 0.0 109.813 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.8 p-10 -103.22 -0.99 29.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -1.135 . . . . 0.0 109.966 -179.552 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.52 -1.12 73.29 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 20.8 pt-20 -140.04 137.37 34.54 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.6 128.55 45.71 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.51 170.12 13.99 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -48.86 -40.01 27.93 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.568 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.02 -49.39 70.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.753 -0.592 . . . . 0.0 111.048 179.711 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -60.05 -41.45 92.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.972 -1.08 . . . . 0.0 110.656 -178.474 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -70.87 -26.96 63.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.884 -1.135 . . . . 0.0 108.229 178.67 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.557 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -59.95 -39.91 87.22 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.94 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.37 -32.24 69.84 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.132 -0.98 . . . . 0.0 110.56 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.95 -40.15 88.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.639 -1.288 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -35.34 74.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.605 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.566 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 7.7 t -60.82 -44.86 96.36 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.853 0.835 . . . . 0.0 110.537 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.589 ' C ' ' HZ2' ' X' ' 111' ' ' LYS . 79.5 mtp -69.93 -40.62 75.42 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.694 -0.629 . . . . 0.0 111.59 -177.729 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.97 -32.07 50.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.863 -1.148 . . . . 0.0 109.888 -179.048 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -40.0 87.73 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.871 0.843 . . . . 0.0 109.022 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -58.99 -39.86 83.12 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.71 75.65 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.04 -34.01 72.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.541 -0.725 . . . . 0.0 109.233 179.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.28 -43.72 92.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.947 . . . . 0.0 108.63 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -39.96 95.66 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.882 178.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -67.81 -40.04 83.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.836 . . . . 0.0 110.371 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.334 -0.854 . . . . 0.0 110.028 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.323 0.582 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.467 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 59.17 24.25 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.728 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.01 13.29 0.9 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.382 -0.824 . . . . 0.0 108.885 179.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.6 tp -58.88 -35.24 72.66 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.737 -178.576 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 0.0 109.298 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -66.13 -40.03 90.34 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.538 -0.726 . . . . 0.0 110.294 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.94 77.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 111.858 -177.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.456 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 37.1 mtt -67.08 -38.52 85.89 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.936 -1.102 . . . . 0.0 109.515 -179.116 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.11 -36.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.776 -0.577 . . . . 0.0 109.89 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.64 77.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 111.535 -177.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.872 -1.142 . . . . 0.0 108.468 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt -69.38 -38.56 77.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -60.16 -44.36 95.08 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.897 -1.127 . . . . 0.0 110.998 -179.443 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -38.96 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.121 -179.449 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.82 -39.79 62.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.772 -1.205 . . . . 0.0 108.829 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.98 -21.41 63.24 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.039 -1.038 . . . . 0.0 109.39 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -45.58 92.07 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.199 -0.938 . . . . 0.0 110.084 -178.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.34 -34.37 11.08 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.882 -1.136 . . . . 0.0 111.713 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t -60.95 -43.09 99.22 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 110.517 -178.345 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -11.03 82.3 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.03 -43.26 95.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -1.155 . . . . 0.0 109.336 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.53 169.2 9.14 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.61 0.719 . . . . 0.0 110.089 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.21 61.89 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.3 t0 -73.71 68.0 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.574 -1.545 . . . . 0.0 109.282 -179.221 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.456 ' O ' ' OG ' ' B' ' 18' ' ' SER . 12.9 ttmm -69.98 -39.97 75.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.381 -0.825 . . . . 0.0 110.659 -179.818 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.686 ' HD1' ' H ' ' B' ' 25' ' ' HIS . 9.2 p-80 -81.01 -14.19 58.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.927 -1.108 . . . . 0.0 110.952 -178.335 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 9.0 mtpm? -139.07 152.96 47.96 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.003 -1.061 . . . . 0.0 110.338 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -112.13 125.87 54.58 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.7 tttt -92.99 151.39 19.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.319 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -43.64 -22.64 0.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 108.758 -179.691 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.1 t -69.96 -49.12 54.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.062 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.77 -33.53 72.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.762 -1.211 . . . . 0.0 108.45 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -39.15 84.87 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.785 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.494 -0.753 . . . . 0.0 110.03 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.63 -38.87 73.93 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.013 -1.054 . . . . 0.0 110.409 -178.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.32 -50.57 67.27 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.785 -1.197 . . . . 0.0 109.686 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -73.1 -43.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.617 -0.677 . . . . 0.0 111.261 -177.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -69.51 -38.77 77.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.817 -1.177 . . . . 0.0 111.504 -178.077 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.01 -34.9 10.23 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -79.72 -10.97 59.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.164 -1.585 . . . . 0.0 110.189 -177.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 mt -117.42 46.5 1.7 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.463 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -60.05 -39.94 87.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.835 . . . . 0.0 110.438 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -125.66 -6.57 6.87 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.322 -0.861 . . . . 0.0 110.302 -179.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -61.8 -48.78 79.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.04 -1.038 . . . . 0.0 108.629 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.39 -176.52 5.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.098 -1.001 . . . . 0.0 110.676 -179.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 51.4 tp10 -54.59 98.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.592 0.71 . . . . 0.0 109.43 -179.612 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.5 162.52 12.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.505 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.01 139.67 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.856 -179.158 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -113.6 -26.64 8.17 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.471 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -121.1 147.13 45.98 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 121.843 0.83 . . . . 0.0 110.358 -179.863 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.05 -21.12 63.2 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.3 pt-20 -60.39 -40.01 89.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.571 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 60.0 t -60.03 -40.08 82.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.68 -38.23 81.07 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.78 -39.86 93.18 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.084 0.945 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.633 ' HZ1' ' ND1' ' Y' ' 105' ' ' HIS . 2.8 ttmp? -65.17 -40.04 93.73 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.43 -29.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -64.86 -35.14 80.17 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.151 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.34 -39.58 73.07 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.2 m -79.44 -45.02 20.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.582 -0.699 . . . . 0.0 111.587 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 17.1 mt -88.57 -18.36 28.24 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.735 -1.228 . . . . 0.0 111.167 -177.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' MET . 32.6 t0 -81.37 61.48 4.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.232 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -60.03 -40.02 87.9 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.655 -177.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 40.2 p-10 -89.99 -0.59 57.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.085 -1.009 . . . . 0.0 109.432 -179.584 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.06 39.96 97.7 Favored Glycine 0 N--CA 1.493 2.489 0 C-N-CA 119.526 -1.321 . . . . 0.0 109.838 179.205 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 34.1 p-10 -103.52 -1.1 28.91 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.215 -1.168 . . . . 0.0 110.014 -179.509 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.39 -0.95 73.23 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 20.9 pt-20 -140.19 137.43 34.34 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.437 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.67 128.76 45.77 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.051 -1.031 . . . . 0.0 108.221 -179.907 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -71.58 170.38 13.52 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.558 -0.714 . . . . 0.0 109.361 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -49.21 -39.99 31.81 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.157 -0.964 . . . . 0.0 108.519 179.693 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -64.8 -49.37 70.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.885 -0.509 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -60.07 -41.78 93.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 110.577 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.85 -26.54 63.32 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.566 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.03 87.83 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.057 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.16 69.62 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.181 -0.95 . . . . 0.0 110.636 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.08 -40.15 88.55 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.663 -1.273 . . . . 0.0 110.253 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -35.45 74.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.604 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.557 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 7.7 t -60.64 -45.08 95.43 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.865 0.84 . . . . 0.0 110.476 -179.42 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.57 ' C ' ' HZ2' ' Y' ' 111' ' ' LYS . 80.1 mtp -69.78 -40.51 76.01 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.614 -0.679 . . . . 0.0 111.696 -177.692 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.0 -32.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.912 -1.117 . . . . 0.0 109.816 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.821 0.819 . . . . 0.0 109.0 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.508 ' H ' ' HG1' ' B' ' 82' ' ' THR . 2.0 m -58.86 -39.96 82.89 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.7 75.45 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.02 -34.19 73.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.554 -0.716 . . . . 0.0 109.204 179.49 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.03 -43.87 91.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.102 -0.999 . . . . 0.0 108.579 -179.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.467 -0.893 . . . . 0.0 108.911 178.565 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.89 -39.99 83.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.34 -0.85 . . . . 0.0 109.981 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.09 0.471 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.598 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 2.9 p-80 -59.23 -37.48 77.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.715 -1.241 . . . . 0.0 108.798 -179.208 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.598 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 86.8 tttt -59.95 -30.47 69.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.317 -0.864 . . . . 0.0 109.226 179.73 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -59.9 -40.02 87.36 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.876 -1.14 . . . . 0.0 108.379 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 23.2 tp -72.36 -26.48 61.92 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.759 0.79 . . . . 0.0 109.079 179.028 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.446 ' O ' ' OG1' ' X' ' 112' ' ' THR . 20.9 mmt -65.06 -24.22 67.4 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.974 -1.079 . . . . 0.0 109.953 179.243 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -39.96 -46.71 2.11 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.361 -0.837 . . . . 0.0 110.64 -177.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.589 ' HZ2' ' C ' ' A' ' 79' ' ' MET . 41.5 pttt -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 109.821 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' X' ' 109' ' ' MET . 81.1 p -62.39 -29.03 70.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.083 -1.01 . . . . 0.0 109.138 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.425 -0.797 . . . . 0.0 . 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.633 ' ND1' ' HZ1' ' B' ' 55' ' ' LYS . 2.9 p-80 -59.12 -37.54 77.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.723 -1.235 . . . . 0.0 108.939 -179.323 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.593 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.294 -0.879 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -60.02 -39.94 87.6 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.971 -1.081 . . . . 0.0 108.345 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 22.8 tp -72.57 -26.38 61.7 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.679 0.752 . . . . 0.0 108.974 179.044 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.457 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 20.9 mmt -65.0 -24.17 67.43 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.961 -1.087 . . . . 0.0 109.936 179.168 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.7 p90 -39.98 -46.71 2.12 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.297 -0.877 . . . . 0.0 110.577 -178.043 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.57 ' HZ2' ' C ' ' B' ' 79' ' ' MET . 42.8 pttt -80.0 -29.2 39.4 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 109.761 -179.941 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 82.7 p -60.29 -30.06 69.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.078 -1.014 . . . . 0.0 109.354 -179.47 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.406 -0.809 . . . . 0.0 . -179.599 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 ptm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.421 0.629 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t 62.08 19.46 10.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.324 -0.86 . . . . 0.0 109.552 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.73 -7.31 55.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.758 0.79 . . . . 0.0 109.079 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.02 -21.87 1.39 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.757 -0.59 . . . . 0.0 110.098 -178.536 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.7 -38.32 80.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.44 -1.412 . . . . 0.0 108.98 179.543 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -69.33 -36.91 77.41 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.55 88.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.538 -0.726 . . . . 0.0 111.091 -178.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.9 mtt -65.1 -39.96 93.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.025 -1.047 . . . . 0.0 109.16 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.66 -38.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.28 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.76 -0.587 . . . . 0.0 111.295 -178.561 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.616 -1.303 . . . . 0.0 108.222 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.54 -39.12 78.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.754 -0.591 . . . . 0.0 110.356 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 57.9 t0 -59.98 -45.85 91.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.092 -1.005 . . . . 0.0 111.545 -177.913 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -36.53 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.091 -1.006 . . . . 0.0 110.126 -178.54 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.8 -40.01 65.96 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.14 -22.84 57.89 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 111.505 -179.201 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.937 -1.102 . . . . 0.0 111.404 -177.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 15.6 p90 -119.08 -23.16 6.93 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 121.163 -0.961 . . . . 0.0 111.353 -179.162 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.43 -43.32 77.4 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.645 -1.285 . . . . 0.0 110.138 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -3.54 65.18 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.618 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 20' ' ' ARG . 18.8 ttt-85 -59.94 -44.92 94.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -1.082 . . . . 0.0 109.945 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.2 tp10 -114.3 158.89 20.83 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.617 -0.677 . . . . 0.0 109.544 -179.221 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . -40.95 -20.01 0.03 OUTLIER Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.429 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m-20 -71.73 46.82 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.934 -1.333 . . . . 0.0 109.116 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 22' ' ' GLY . 76.6 tttt -70.83 -45.3 64.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.935 -1.103 . . . . 0.0 110.342 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -77.62 -20.1 54.43 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.272 -0.893 . . . . 0.0 110.984 -178.281 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' O ' ' O ' ' A' ' 23' ' ' ASP . 26.0 pttm -134.62 159.7 40.42 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.184 -0.948 . . . . 0.0 108.494 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -112.48 130.17 56.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.201 -0.937 . . . . 0.0 108.883 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.7 tttm -103.68 145.45 30.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.117 -0.99 . . . . 0.0 109.189 -179.493 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LYS . 49.1 pttt -40.59 -23.41 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.802 0.811 . . . . 0.0 109.366 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.12 -50.57 32.11 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.977 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.12 -32.94 72.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.012 -1.055 . . . . 0.0 108.856 179.426 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.0 -40.23 88.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.46 -38.51 90.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.641 -0.662 . . . . 0.0 109.404 179.09 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.02 -39.9 93.84 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.0 110.245 -178.378 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -44.93 69.49 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 120.342 -1.474 . . . . 0.0 108.941 -179.863 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.0 mt -70.79 -42.61 77.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 120.873 -1.142 . . . . 0.0 111.318 -177.611 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.3 t-20 -82.15 -33.43 29.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.518 -1.364 . . . . 0.0 112.032 -177.797 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 -36.13 9.58 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.311 -0.868 . . . . 0.0 113.133 -177.201 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.62 -21.18 22.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.372 -1.455 . . . . 0.0 110.165 -177.724 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -115.4 58.14 0.73 Allowed 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -60.07 -40.5 89.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.383 -0.823 . . . . 0.0 111.09 -178.363 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -135.52 -14.2 1.95 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.055 -1.028 . . . . 0.0 110.562 -179.421 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 t80 -66.95 -38.62 86.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.841 -1.162 . . . . 0.0 109.145 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -127.06 162.17 26.7 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.254 -0.904 . . . . 0.0 108.591 179.734 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 6.4 pt-20 -54.97 109.23 0.49 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.059 -1.026 . . . . 0.0 109.53 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.87 140.23 57.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.088 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.4 mm -86.79 136.67 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.048 -1.033 . . . . 0.0 108.969 -179.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -108.15 -27.4 10.1 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.354 -0.841 . . . . 0.0 109.145 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -120.96 139.99 52.49 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.636 -0.665 . . . . 0.0 109.849 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.36 -21.0 66.23 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.063 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.6 pt-20 -58.4 -39.45 79.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 109.473 -178.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 82.5 t -60.04 -36.1 65.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.487 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.53 -35.78 71.84 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.793 -179.401 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.46 -37.37 84.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.3 -39.99 81.86 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.78 -32.89 60.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.609 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.3 mmm -70.19 -28.64 65.47 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.224 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.9 -39.95 83.02 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.057 -1.652 . . . . 0.0 106.961 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 m -83.82 -40.02 19.24 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.762 -0.586 . . . . 0.0 110.826 179.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.8 tp -86.75 -18.75 30.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.3 -177.553 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.6 t0 -81.09 63.49 5.47 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 177.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -57.86 -39.93 78.96 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -69.98 -16.75 63.23 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.19 74.6 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 27.6 p-10 -107.12 8.75 30.34 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.274 -1.133 . . . . 0.0 110.264 -179.533 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.29 5.65 87.57 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.429 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 78.6 mt-10 -139.5 148.79 43.15 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 13.0 p -115.29 131.05 57.05 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.81 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' PHE . 95.6 m-20 -71.63 160.01 33.4 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.356 -0.84 . . . . 0.0 109.41 -178.84 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.5 t80 -47.65 -39.1 16.26 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.042 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.9 -50.99 71.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.62 -0.675 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -61.61 -41.3 97.27 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.084 -1.01 . . . . 0.0 110.409 -178.502 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 47.5 t80 -60.0 -38.54 82.94 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.387 -0.821 . . . . 0.0 110.066 179.274 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.9 mmm -59.92 -37.99 81.06 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.739 -0.601 . . . . 0.0 110.871 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.81 76.27 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.558 -1.257 . . . . 0.0 110.702 -178.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.089 -1.007 . . . . 0.0 109.788 -179.642 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -39.23 81.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-O 121.507 0.67 . . . . 0.0 109.523 -179.748 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.615 ' HG ' ' C ' ' B' ' 74' ' ' MET . 2.9 t -61.88 -40.93 97.08 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.57 -0.706 . . . . 0.0 110.465 -178.414 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 mtm -70.41 -43.81 69.23 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.541 -178.788 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.01 -39.86 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.192 -0.943 . . . . 0.0 110.32 -178.4 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.02 -40.01 87.85 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -51.52 -38.53 54.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.751 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.55 87.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.325 -0.86 . . . . 0.0 108.907 178.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 88' ' ' PHE . 25.3 t -59.95 -38.61 82.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 109.801 -179.66 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.35 -39.59 83.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.887 -1.133 . . . . 0.0 109.057 -179.527 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -37.81 80.84 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.86 -23.96 20.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.197 -0.94 . . . . 0.0 109.186 179.766 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.545 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 8.5 ptm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t 61.89 19.36 10.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.556 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.71 -7.33 55.13 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.727 0.775 . . . . 0.0 109.126 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.11 -21.69 1.38 Allowed 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.737 -0.602 . . . . 0.0 110.238 -178.562 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.81 -38.62 80.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.453 -1.405 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -69.0 -37.03 78.49 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.24 87.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.518 -0.739 . . . . 0.0 111.145 -178.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.1 mtt -65.38 -39.97 92.9 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.975 -1.078 . . . . 0.0 109.127 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.0 t -64.61 -38.21 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.35 -179.531 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.18 85.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.76 -0.588 . . . . 0.0 111.334 -178.555 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.92 -39.94 87.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.619 -1.301 . . . . 0.0 108.244 -179.311 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.8 -38.98 77.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.672 -0.643 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.04 -45.91 91.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.106 -0.996 . . . . 0.0 111.456 -177.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -36.49 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.048 -1.033 . . . . 0.0 110.148 -178.576 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.01 -40.0 66.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.153 -0.967 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.11 -22.91 57.92 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 111.534 -179.231 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.863 -1.148 . . . . 0.0 111.421 -177.29 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -118.91 -23.12 7.04 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.127 -0.983 . . . . 0.0 111.352 -179.128 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -68.45 -43.63 76.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.687 -1.258 . . . . 0.0 110.146 -179.439 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.75 -3.52 63.68 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' B' ' 20' ' ' ARG . 19.1 ttt-85 -60.06 -44.84 94.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -1.081 . . . . 0.0 110.019 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.3 tp10 -114.28 158.87 20.84 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.595 -0.691 . . . . 0.0 109.525 -179.284 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . -41.01 -19.99 0.03 OUTLIER Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.435 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 21' ' ' GLU . 83.7 m-20 -71.76 47.23 0.13 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.858 -1.377 . . . . 0.0 109.031 -179.815 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' B' ' 22' ' ' GLY . 76.3 tttt -71.19 -45.11 64.09 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -77.61 -20.37 54.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.207 -0.933 . . . . 0.0 111.025 -178.328 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.0 pttm -134.33 159.79 39.93 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.137 -0.977 . . . . 0.0 108.37 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -112.44 130.3 56.03 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 108.816 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.2 tttm -103.83 145.19 30.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.139 -0.976 . . . . 0.0 109.251 -179.518 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 47.5 pttt -40.4 -23.48 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.783 0.801 . . . . 0.0 109.454 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -70.88 -50.75 31.74 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.954 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.94 -33.22 73.37 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 108.84 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.95 -40.03 87.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.332 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.54 -38.48 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.572 -0.705 . . . . 0.0 109.29 179.136 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.98 -39.99 94.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.312 -0.868 . . . . 0.0 110.276 -178.323 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.51 -45.07 69.74 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 120.452 -1.405 . . . . 0.0 108.935 -179.914 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -70.73 -42.71 77.67 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 120.94 -1.1 . . . . 0.0 111.436 -177.548 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.4 t-20 -82.15 -33.39 29.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.541 -1.349 . . . . 0.0 112.012 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.68 -35.99 9.64 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 121.34 -0.85 . . . . 0.0 113.21 -177.245 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -89.77 -21.17 22.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.433 -1.417 . . . . 0.0 110.177 -177.738 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.5 mt -115.39 58.25 0.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -40.48 89.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.398 -0.813 . . . . 0.0 111.092 -178.388 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -135.71 -14.3 1.9 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.036 -1.04 . . . . 0.0 110.54 -179.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 2.5 t80 -66.87 -38.68 86.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.88 -1.138 . . . . 0.0 109.134 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -126.86 162.42 25.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.177 -0.952 . . . . 0.0 108.581 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 6.3 pt-20 -55.41 109.33 0.53 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.974 -1.079 . . . . 0.0 109.49 -179.48 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.86 140.3 57.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 109.14 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.438 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 5.3 mm -86.91 136.46 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 108.928 -179.713 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -108.09 -27.04 10.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.388 -0.82 . . . . 0.0 109.168 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.26 139.98 52.67 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.574 -0.704 . . . . 0.0 109.874 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.36 -21.27 66.24 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.0 pt-20 -58.2 -39.58 79.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.159 -0.963 . . . . 0.0 109.46 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.409 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 78.2 t -60.02 -36.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.149 -0.97 . . . . 0.0 108.524 179.496 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.2 t -68.62 -35.75 71.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 120.009 -0.677 . . . . 0.0 109.761 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.4 -37.36 85.06 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.296 -0.878 . . . . 0.0 109.718 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -68.25 -40.03 82.06 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 t -65.91 -32.78 59.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.4 mmm -70.23 -28.69 65.45 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.182 179.39 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -58.69 -40.02 82.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.085 -1.634 . . . . 0.0 107.044 178.644 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.9 m -83.87 -40.0 19.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.826 -0.546 . . . . 0.0 110.873 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.0 tp -86.77 -18.77 30.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.116 -0.99 . . . . 0.0 110.264 -177.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' B' ' 57' ' ' MET . 51.7 t0 -80.97 63.57 5.4 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.886 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -57.92 -39.99 79.31 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -178.545 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.6 30.17 74.62 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.523 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 27.2 p-10 -107.25 8.82 30.11 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.233 -1.157 . . . . 0.0 110.308 -179.513 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.24 5.67 87.49 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.438 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 78.9 mt-10 -139.37 148.87 43.46 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.599 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.7 p -115.4 130.82 57.01 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.808 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 70' ' ' PHE . 95.4 m-20 -71.39 159.98 33.58 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 -178.845 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 69' ' ' ASP . 4.6 t80 -47.71 -38.82 16.0 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.37 -50.56 72.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.644 -0.66 . . . . 0.0 109.967 178.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -61.8 -41.2 97.44 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.111 -0.993 . . . . 0.0 110.405 -178.656 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 48.4 t80 -60.15 -38.48 83.25 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.344 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.615 ' C ' ' HG ' ' A' ' 78' ' ' SER . 79.8 mmm -59.94 -38.34 82.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.763 -0.585 . . . . 0.0 110.755 -177.58 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.67 76.42 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.493 -1.283 . . . . 0.0 110.752 -178.349 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.608 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -39.1 81.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 121.471 0.653 . . . . 0.0 109.554 -179.8 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -61.95 -40.95 97.3 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.614 -0.679 . . . . 0.0 110.403 -178.381 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.3 mtm -70.46 -44.06 68.55 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.04 -39.58 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.288 -178.405 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -39.97 87.61 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.54 ' H ' ' HG1' ' B' ' 82' ' ' THR . 2.2 m -51.65 -38.45 54.86 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.772 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.52 87.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 108.949 178.689 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 88' ' ' PHE . 24.8 t -60.06 -38.53 83.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.432 -0.793 . . . . 0.0 109.828 -179.643 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.43 -39.5 83.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.914 -1.116 . . . . 0.0 109.117 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -37.81 80.79 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.062 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -90.77 -24.03 20.47 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.175 -0.953 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 120.773 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.8 OUTLIER -58.85 -34.75 71.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.683 -1.261 . . . . 0.0 109.53 -178.976 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 86.1 tttt -59.96 -37.69 80.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.062 -1.024 . . . . 0.0 108.261 179.005 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.64 -40.01 68.56 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 108.59 -179.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.03 -27.02 60.74 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.46 -0.775 . . . . 0.0 110.296 179.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.421 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.4 mmt -53.8 -24.51 15.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.664 -1.273 . . . . 0.0 109.385 -179.056 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.448 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.8 p90 -42.18 -37.01 1.33 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.323 -0.861 . . . . 0.0 110.173 -178.906 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.448 ' HG3' ' CZ ' ' X' ' 110' ' ' PHE . 4.7 mtmp? -79.56 -37.56 36.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.849 -1.157 . . . . 0.0 109.479 177.802 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 76.8 p -59.28 -31.14 68.84 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 73.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.428 -0.795 . . . . 0.0 . 178.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.476 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 120.796 0.331 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.647 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.7 OUTLIER -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.72 -1.238 . . . . 0.0 109.508 -178.961 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.647 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.97 -38.2 81.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.34 -40.03 67.65 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.496 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.22 -26.56 60.32 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 179.406 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.43 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 16.1 mmt -54.19 -24.5 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.517 -1.364 . . . . 0.0 109.389 -179.218 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.8 p90 -42.08 -36.98 1.28 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.408 -0.808 . . . . 0.0 110.239 -178.925 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.452 ' HG3' ' CZ ' ' Y' ' 110' ' ' PHE . 4.5 mtmp? -79.69 -37.2 36.3 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.778 -1.201 . . . . 0.0 109.526 177.815 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 82.0 p -59.97 -30.15 68.9 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.776 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 73.3 mm-40 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.456 -0.777 . . . . 0.0 . 178.726 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.466 ' C ' ' N ' ' A' ' 2' ' ' GLU . 78.6 mtm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 0' ' ' MET . 53.3 p 51.21 14.63 0.23 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.214 -0.929 . . . . 0.0 108.858 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 0' ' ' MET . 82.8 tt0 -70.03 -1.47 9.9 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.833 0.825 . . . . 0.0 109.153 179.614 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.0 -36.53 77.39 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.29 -0.881 . . . . 0.0 112.34 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.91 -39.99 87.3 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.451 -1.405 . . . . 0.0 109.61 -178.486 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.345 -0.847 . . . . 0.0 109.763 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.91 83.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 0.0 110.801 -178.75 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -62.45 -40.01 95.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 109.438 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.03 -38.76 82.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.0 94.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.875 -0.515 . . . . 0.0 111.724 -178.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.07 -40.0 87.99 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.567 -1.333 . . . . 0.0 108.486 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.73 -38.81 79.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.723 -0.61 . . . . 0.0 110.522 -179.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.99 -40.01 94.32 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.653 -1.279 . . . . 0.0 110.611 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -38.84 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.286 -0.884 . . . . 0.0 109.149 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' O ' ' OG ' ' A' ' 18' ' ' SER . 58.9 t80 -51.56 -39.99 58.89 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.918 -1.114 . . . . 0.0 108.577 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -80.03 -22.18 42.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 0.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -52.7 -48.28 66.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.898 -1.126 . . . . 0.0 110.402 -178.313 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' OH ' ' CD1' ' A' ' 35' ' ' LEU . 20.8 p90 -111.19 -25.64 9.61 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.418 -0.801 . . . . 0.0 111.806 -178.434 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 57.5 m -60.03 -39.97 87.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.519 -1.363 . . . . 0.0 109.953 -178.404 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -2.37 77.85 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 69.2 ttt180 -59.96 -49.71 76.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.18 -1.188 . . . . 0.0 109.772 -179.664 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.01 -76.03 0.42 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.116 -0.99 . . . . 0.0 109.791 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.36 -22.25 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.298 -1.43 . . . . 0.0 110.696 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 26' ' ' LYS . 62.5 m-20 -77.75 70.19 4.09 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.594 -1.533 . . . . 0.0 108.896 -179.842 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.71 -40.54 95.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.917 -179.676 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.535 ' H ' ' ND1' ' A' ' 25' ' ' HIS . 30.7 p-80 -90.03 -0.25 57.49 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.979 -1.075 . . . . 0.0 111.368 -178.316 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' ASP . 25.8 ttmt -149.25 154.62 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.666 -1.271 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.7 mt -117.43 137.94 52.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.505 -0.747 . . . . 0.0 109.52 179.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.1 ttmt -108.04 147.91 30.49 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.273 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.9 ttmp? -38.76 -25.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.696 0.76 . . . . 0.0 109.186 179.505 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LYS . 79.4 p -78.28 -46.88 19.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.279 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 98.0 mt-10 -69.96 -35.35 74.39 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.372 -0.83 . . . . 0.0 108.827 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.426 -0.797 . . . . 0.0 109.168 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 63.1 mm-40 -60.94 -36.34 79.08 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' CD1' ' OH ' ' A' ' 17' ' ' TYR . 3.1 tt -59.98 -52.89 63.47 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-O 122.557 1.17 . . . . 0.0 108.173 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.62 -45.97 27.99 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.221 -0.924 . . . . 0.0 112.762 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' OG ' ' A' ' 41' ' ' SER . 22.7 t-20 -73.06 -36.33 66.86 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.881 -1.137 . . . . 0.0 112.34 -176.864 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.446 HD21 ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -97.05 -37.1 10.28 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.568 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -98.14 -20.94 17.01 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 120.411 -1.43 . . . . 0.0 111.796 -177.77 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -129.31 56.52 1.69 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.26 -0.9 . . . . 0.0 109.018 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 44' ' ' LEU . 8.1 m -78.89 -67.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 109.917 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -78.49 -39.97 36.73 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.948 . . . . 0.0 110.63 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.2 -35.86 78.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.186 -0.946 . . . . 0.0 110.329 -178.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 34.4 tp -128.34 159.88 33.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.322 -0.861 . . . . 0.0 108.745 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.65 107.6 0.27 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.03 -1.044 . . . . 0.0 109.09 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.63 145.17 50.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.691 . . . . 0.0 109.276 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.5 mm -80.14 141.05 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 0.0 109.061 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -107.34 -21.93 12.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.533 -0.729 . . . . 0.0 109.288 -179.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.34 154.06 45.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.28 -0.888 . . . . 0.0 110.664 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -68.62 -22.51 64.43 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.1 -39.13 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.14 -0.975 . . . . 0.0 110.409 -179.486 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.26 -40.04 84.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.017 -1.052 . . . . 0.0 108.652 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.75 -39.87 86.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -60.08 -40.01 88.09 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.616 -0.677 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.92 -31.52 54.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.255 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.593 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.7 mmm -70.08 -27.2 64.43 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.422 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.25 -39.87 80.28 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 178.212 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.6 m -79.63 -40.89 28.19 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.666 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 2.8 mp -88.93 -18.04 28.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.13 . . . . 0.0 110.155 -178.268 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.9 t0 -81.66 62.02 5.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.533 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.89 -34.56 73.34 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -79.29 -8.53 59.12 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.57 78.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.87 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.0 p-10 -106.86 2.24 25.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.234 -1.156 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.469 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.97 4.43 89.6 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.232 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 59.1 mt-10 -136.19 134.71 38.47 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.9 p -104.18 129.79 51.94 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.236 -0.915 . . . . 0.0 109.393 179.888 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.02 164.98 24.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.237 -0.915 . . . . 0.0 109.247 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.74 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.031 -1.043 . . . . 0.0 108.465 -179.073 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.51 -37.7 77.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.137 -0.977 . . . . 0.0 108.719 178.56 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 46.3 mt-10 -66.81 -40.03 87.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 0.0 109.027 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.37 -35.64 79.78 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -36.53 77.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.387 0.613 . . . . 0.0 110.441 -178.007 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -68.61 -34.73 76.28 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 118.841 -1.143 . . . . 0.0 110.748 -179.221 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -62.59 -39.23 93.06 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.088 -1.008 . . . . 0.0 110.108 -179.417 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -38.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.284 0.564 . . . . 0.0 110.214 -178.511 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 11.1 p -65.14 -39.72 93.4 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.31 -0.869 . . . . 0.0 109.867 -178.882 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.2 mtp -69.84 -43.04 72.75 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.519 -0.738 . . . . 0.0 112.196 -177.872 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.12 -34.53 55.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 120.823 -1.173 . . . . 0.0 109.98 -178.603 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -62.09 -40.05 94.53 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.09 -39.44 72.13 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.13 86.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.523 -0.736 . . . . 0.0 109.293 178.552 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 88' ' ' PHE . 48.9 t -59.72 -37.86 80.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.495 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.001 -1.062 . . . . 0.0 108.411 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.97 -38.61 83.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.185 -0.947 . . . . 0.0 108.895 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -92.21 -24.45 19.03 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.268 -0.895 . . . . 0.0 111.017 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 4.2 t80 . . . . . 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 109.168 -179.246 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 0' ' ' MET . . . . . 0.464 ' C ' ' H ' ' B' ' 2' ' ' GLU . 77.9 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 0' ' ' MET . 59.9 p 51.33 14.68 0.25 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.264 -0.897 . . . . 0.0 108.854 -179.501 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' B' ' 0' ' ' MET . 81.7 tt0 -69.95 -1.63 10.21 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.838 0.828 . . . . 0.0 109.123 179.542 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.96 -36.54 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 112.312 -177.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.431 -1.418 . . . . 0.0 109.565 -178.537 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -64.36 -39.96 94.92 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.259 -0.901 . . . . 0.0 109.808 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -39.91 82.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 110.785 -178.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.8 mtt -62.2 -39.97 94.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.037 -1.039 . . . . 0.0 109.477 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.09 -38.86 82.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.05 94.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.83 -0.544 . . . . 0.0 111.708 -178.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.04 -40.06 88.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.666 -1.271 . . . . 0.0 108.474 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -68.91 -38.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.786 -0.571 . . . . 0.0 110.536 -179.247 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.29 -40.03 93.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.621 -1.3 . . . . 0.0 110.59 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -38.74 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.279 -0.888 . . . . 0.0 109.128 -179.431 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 60.8 t80 -51.55 -39.97 58.81 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.003 -1.061 . . . . 0.0 108.615 179.284 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -80.01 -22.28 42.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -52.66 -48.24 66.61 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.85 -1.156 . . . . 0.0 110.5 -178.371 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.414 ' OH ' ' CD1' ' B' ' 35' ' ' LEU . 20.7 p90 -111.19 -25.65 9.6 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.401 -0.812 . . . . 0.0 111.822 -178.511 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 56.4 m -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.487 -1.383 . . . . 0.0 109.971 -178.492 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -2.33 77.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 69.2 ttt180 -59.98 -49.62 76.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -1.153 . . . . 0.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.2 -76.12 0.42 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.155 -0.966 . . . . 0.0 109.766 -179.704 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.09 -22.45 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.349 -1.405 . . . . 0.0 110.712 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 61.1 m-20 -77.6 70.34 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.608 -1.525 . . . . 0.0 108.966 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.99 -40.52 95.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.443 -0.786 . . . . 0.0 110.732 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.536 ' ND1' ' H ' ' B' ' 25' ' ' HIS . 30.8 p-80 -90.08 -0.32 57.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.026 -1.046 . . . . 0.0 111.41 -178.29 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.3 ttmt -149.07 154.75 39.72 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.706 -1.246 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 42.4 mt -117.53 137.95 52.22 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.566 -0.709 . . . . 0.0 109.519 179.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' SER . 33.0 ttmt -108.01 147.82 30.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' B' ' 28' ' ' LYS . 2.0 ttmp? -38.67 -25.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.695 0.76 . . . . 0.0 109.216 179.442 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 28' ' ' LYS . 78.7 p -78.3 -47.02 18.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.235 179.482 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mt-10 -69.94 -35.29 74.4 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.165 -0.96 . . . . 0.0 108.486 179.303 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.99 -40.1 88.02 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.684 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.02 -39.95 87.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.25 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.407 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 63.4 mm-40 -61.04 -36.28 79.13 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.526 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.414 ' CD1' ' OH ' ' B' ' 17' ' ' TYR . 3.1 tt -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 122.604 1.192 . . . . 0.0 108.189 179.406 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.58 -46.03 28.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.146 -0.971 . . . . 0.0 112.764 -177.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.22 -36.18 66.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.868 -1.145 . . . . 0.0 112.421 -176.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.439 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -97.17 -36.87 10.31 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.623 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.3 -21.27 16.74 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.382 -1.449 . . . . 0.0 111.721 -177.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.83 56.41 1.67 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 109.014 -179.606 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' O ' ' B' ' 44' ' ' LEU . 7.3 m -78.94 -67.0 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -78.55 -39.99 36.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.639 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.13 -35.97 78.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.205 -0.934 . . . . 0.0 110.272 -178.783 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 41' ' ' SER . 34.3 tp -128.19 159.79 34.1 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.224 -0.923 . . . . 0.0 108.792 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.51 107.65 0.27 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.981 -1.075 . . . . 0.0 109.147 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 145.08 50.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.565 -0.709 . . . . 0.0 109.3 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mm -80.07 140.91 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 109.139 179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -107.22 -22.04 12.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.568 -0.708 . . . . 0.0 109.313 -179.002 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.36 154.17 45.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.211 -0.931 . . . . 0.0 110.69 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.65 -22.59 64.4 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.045 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -65.0 -39.15 93.03 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.103 -0.998 . . . . 0.0 110.326 -179.468 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.17 -40.0 84.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.999 -1.063 . . . . 0.0 108.659 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.86 -39.96 86.99 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.5 t0 -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.619 -0.675 . . . . 0.0 109.557 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.9 -40.23 96.92 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.77 -31.59 54.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.603 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.2 mmm -70.0 -27.28 64.57 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.489 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.17 -40.01 80.35 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.321 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -79.58 -40.74 28.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.704 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 2.6 mp -89.0 -18.1 28.05 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.294 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.4 t0 -81.62 61.88 5.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.619 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -59.97 -34.38 73.2 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.519 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.36 -8.45 59.09 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.507 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.81 31.63 78.91 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.07 2.27 24.87 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.265 -1.138 . . . . 0.0 110.431 -179.178 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.51 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.71 4.69 89.45 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.411 -1.875 . . . . 0.0 108.411 -179.152 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.5 mt-10 -136.1 134.46 38.39 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.5 p -104.08 129.55 51.74 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.259 -0.9 . . . . 0.0 109.385 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -70.92 164.95 24.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.224 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.67 66.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.999 -1.063 . . . . 0.0 108.53 -179.076 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.44 -37.82 77.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 108.674 178.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 46.5 mt-10 -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.062 -1.024 . . . . 0.0 109.129 179.598 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.59 -35.51 79.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.334 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -36.24 76.89 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.386 0.612 . . . . 0.0 110.434 -178.079 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.7 -34.43 75.65 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.821 -1.174 . . . . 0.0 110.807 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.92 -39.0 93.21 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.123 -0.986 . . . . 0.0 110.214 -179.55 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -38.99 79.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-O 121.264 0.554 . . . . 0.0 110.116 -178.598 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 11.7 p -65.03 -39.89 94.01 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 -178.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 42.4 mtp -69.78 -42.75 73.39 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.73 . . . . 0.0 112.13 -177.752 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.61 -34.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.828 -1.17 . . . . 0.0 109.944 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -40.02 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -39.44 72.04 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.59 87.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.595 -0.691 . . . . 0.0 109.337 178.518 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' B' ' 88' ' ' PHE . 42.8 t -59.61 -37.64 79.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.479 -0.763 . . . . 0.0 109.517 -179.141 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.984 -1.073 . . . . 0.0 108.439 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.94 -38.68 83.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -92.01 -24.8 19.1 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.299 -0.876 . . . . 0.0 110.969 -179.012 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 4.2 t80 . . . . . 0 N--CA 1.499 2.02 0 O-C-N 121.026 -1.046 . . . . 0.0 109.191 -179.234 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.95 0.881 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' X' ' 109' ' ' MET . 5.2 m-70 -59.98 -38.09 81.56 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 108.878 -179.363 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -58.76 -29.53 66.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 40.2 mtmt -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.907 -1.12 . . . . 0.0 108.173 179.37 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.75 -27.13 61.02 Favored 'General case' 0 N--CA 1.506 2.326 0 CA-C-O 121.94 0.876 . . . . 0.0 110.054 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.94 -24.7 64.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.561 -1.337 . . . . 0.0 110.357 -179.42 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.621 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -51.02 -32.37 21.29 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.4 -1.438 . . . . 0.0 110.004 -178.496 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.621 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 1.5 mmpt? -70.01 -40.06 75.47 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.343 -1.473 . . . . 0.0 107.859 177.435 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' X' ' 109' ' ' MET . 68.8 p -60.89 -31.63 71.11 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.672 179.919 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.473 -0.767 . . . . 0.0 . 179.788 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.989 0.899 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.521 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 5.2 m-70 -60.0 -38.03 81.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.252 -0.905 . . . . 0.0 108.835 -179.38 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -58.93 -29.5 67.16 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.266 -0.896 . . . . 0.0 109.267 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 39.5 mtmt -59.97 -39.83 87.0 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.913 -1.117 . . . . 0.0 108.226 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.01 -26.98 60.73 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 122.002 0.906 . . . . 0.0 110.037 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.0 -24.68 64.67 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.476 -1.39 . . . . 0.0 110.346 -179.448 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.615 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.5 OUTLIER -51.0 -32.47 21.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.371 -1.456 . . . . 0.0 109.928 -178.542 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.615 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 1.5 mmpt? -69.94 -40.64 75.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.293 -1.504 . . . . 0.0 107.783 177.437 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 65.1 p -59.97 -31.62 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.828 179.732 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 . -179.986 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t 53.24 23.09 2.97 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 109.104 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 4' ' ' GLU . 11.5 pt-20 -72.73 -7.97 53.12 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.663 0.744 . . . . 0.0 109.068 179.413 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 tp -42.89 -24.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.477 -0.765 . . . . 0.0 110.84 -178.31 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CZ ' ' B' ' 43' ' ' PHE . 51.3 tp10 -67.4 -40.0 85.59 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.821 -1.174 . . . . 0.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -77.18 -38.94 50.63 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.92 -1.112 . . . . 0.0 110.468 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -43.52 81.1 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 111.041 -178.159 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.7 mtt -61.08 -40.12 92.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.927 -1.108 . . . . 0.0 109.541 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.15 -39.1 84.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.87 88.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.873 -0.517 . . . . 0.0 111.43 -178.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.599 -1.313 . . . . 0.0 107.96 -179.405 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.59 -38.63 80.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 121.777 -0.577 . . . . 0.0 110.288 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -64.22 -40.43 96.04 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.913 -1.117 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.8 -39.33 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.222 -0.923 . . . . 0.0 109.35 -178.712 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -59.89 -40.01 87.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.558 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.55 -33.44 74.95 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.58 -0.7 . . . . 0.0 110.714 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.868 -1.145 . . . . 0.0 110.715 -178.008 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.8 m-85 -91.02 -29.29 17.45 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.668 -1.27 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.1 p -60.1 -40.16 88.67 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.884 -1.135 . . . . 0.0 109.789 -179.333 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.35 -4.45 86.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -60.02 -46.34 89.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.061 -1.258 . . . . 0.0 109.198 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ASP . 98.3 mt-10 -115.6 159.33 21.43 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.609 -0.682 . . . . 0.0 109.321 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -15.12 0.22 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.8 m-20 -83.14 68.52 9.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.757 -1.437 . . . . 0.0 109.843 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.17 -39.93 78.45 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.266 -0.896 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.17 -14.55 59.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.996 -1.065 . . . . 0.0 111.605 -177.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' ASP . 20.7 pttp -146.65 165.2 30.28 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.703 -1.248 . . . . 0.0 110.232 -179.079 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 mt -113.15 135.26 54.01 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.681 -0.637 . . . . 0.0 109.577 -179.794 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.1 tttm -98.84 145.0 27.42 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.882 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 37.3 pttt -41.06 -25.09 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.001 0.905 . . . . 0.0 109.306 -179.182 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 28' ' ' LYS . 41.1 t -79.95 -47.8 14.42 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LYS . 75.3 tt0 -69.16 -35.42 76.3 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.528 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.97 -39.99 87.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.567 -0.708 . . . . 0.0 109.361 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.646 ' HZ3' ' ND2' ' A' ' 37' ' ' ASN . 58.3 tttm -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.431 -0.793 . . . . 0.0 109.658 -179.485 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.159 -0.963 . . . . 0.0 108.817 -179.2 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.1 tt -61.75 -48.96 78.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.06 -1.025 . . . . 0.0 109.177 178.679 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.54 -45.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.452 -0.78 . . . . 0.0 112.22 -177.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.646 ' ND2' ' HZ3' ' A' ' 33' ' ' LYS . 4.0 m120 -69.53 -40.03 77.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.8 -1.187 . . . . 0.0 112.427 -176.783 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.68 12.92 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.519 -0.738 . . . . 0.0 112.967 -176.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 16.4 tt0 -81.57 -9.65 59.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.201 -1.562 . . . . 0.0 108.87 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 mt -133.74 57.05 1.82 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.753 -0.592 . . . . 0.0 109.487 -179.401 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -60.02 -40.53 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.678 -178.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -133.14 -18.15 2.32 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.216 -0.928 . . . . 0.0 109.961 -179.756 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' OE1' ' B' ' 4' ' ' GLU . 2.6 t80 -62.08 -40.0 94.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.5 161.88 33.4 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -55.95 112.08 1.1 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.027 -1.046 . . . . 0.0 110.023 -179.359 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.1 139.98 57.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 108.793 179.218 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -69.88 142.0 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.76 -1.212 . . . . 0.0 108.76 -179.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -15.41 14.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.381 -0.824 . . . . 0.0 111.234 -178.442 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 85.9 tt0 -150.0 150.01 31.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.557 -1.339 . . . . 0.0 110.092 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 13.2 mm100 -60.05 -32.97 71.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.603 -0.686 . . . . 0.0 110.934 -179.207 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 20.9 pt-20 -59.98 -37.59 80.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 110.777 -177.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.1 -40.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.845 -1.159 . . . . 0.0 108.447 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.91 -38.87 83.51 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.49 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.06 -37.85 88.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.528 -0.733 . . . . 0.0 109.826 -179.381 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.9 -39.94 91.07 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.502 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 21.4 t -65.65 -33.05 60.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.272 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.98 -27.69 64.93 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.824 -1.798 . . . . 0.0 106.38 178.622 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.5 m -81.73 -39.87 23.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -87.73 -17.54 31.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -177.892 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 62.2 t0 -81.03 63.93 5.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 178.422 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -59.85 -39.76 86.3 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.491 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -84.95 -1.25 56.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.964 -1.085 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.6 34.77 90.83 Favored Glycine 0 N--CA 1.497 2.729 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.867 178.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.3 p-10 -104.7 1.22 29.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.003 -1.292 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.512 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 76.44 7.79 85.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 -179.398 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.4 mt-10 -137.53 138.55 39.76 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 15.8 p -102.29 128.88 48.64 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.063 -1.023 . . . . 0.0 108.953 179.417 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -80.0 169.95 17.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 -178.718 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.06 -39.75 82.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.923 . . . . 0.0 110.202 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 89.4 mt-10 -69.07 -40.03 78.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.525 -1.359 . . . . 0.0 109.562 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -70.03 -25.01 63.37 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 108.542 179.383 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.03 -39.69 86.75 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.031 0.919 . . . . 0.0 108.64 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.24 76.44 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.008 -179.433 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.06 -39.95 87.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.165 -0.959 . . . . 0.0 110.427 179.734 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -37.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 O-C-N 121.346 -0.847 . . . . 0.0 109.738 -178.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -40.27 84.77 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.174 -1.011 . . . . 0.0 109.025 -179.766 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 91.7 mtp -60.37 -46.91 88.28 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.561 -0.712 . . . . 0.0 112.206 -179.457 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 t -73.83 -28.39 24.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 120.937 -1.102 . . . . 0.0 110.387 -178.286 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.24 -39.95 88.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 108.572 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -39.92 85.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.54 72.17 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.815 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.03 -37.67 80.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.675 -0.641 . . . . 0.0 109.601 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.092 -1.005 . . . . 0.0 109.209 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -69.57 -29.14 66.63 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.368 179.672 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -86.76 -24.79 24.96 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.684 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.416 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.5 ptm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.4 t 53.1 23.25 2.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' GLU . 11.1 pt-20 -72.95 -7.81 52.77 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.702 0.763 . . . . 0.0 108.977 179.371 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.7 tp -42.74 -24.64 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 110.746 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.524 ' OE1' ' CZ ' ' A' ' 43' ' ' PHE . 51.6 tp10 -67.29 -39.93 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.789 -1.194 . . . . 0.0 110.347 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -77.17 -39.54 48.62 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.907 -1.12 . . . . 0.0 110.354 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.94 83.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 111.036 -178.235 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 28.0 mtt -60.94 -40.03 91.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.843 -1.16 . . . . 0.0 109.635 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.97 -38.99 83.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.828 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.63 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.797 -0.565 . . . . 0.0 111.409 -178.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.97 -40.0 87.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.593 -1.317 . . . . 0.0 107.908 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.61 -38.53 80.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.722 -0.611 . . . . 0.0 110.273 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.24 -40.35 95.84 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.905 -1.122 . . . . 0.0 111.242 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -39.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.304 -0.872 . . . . 0.0 109.33 -178.761 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.02 -39.99 87.77 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -62.62 -33.45 75.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.575 -0.703 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.928 -1.107 . . . . 0.0 110.739 -177.915 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.435 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 52.3 m-85 -91.13 -29.21 17.41 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.696 -1.253 . . . . 0.0 111.578 -179.147 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -60.06 -40.14 88.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.9 -1.125 . . . . 0.0 109.718 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.37 -4.49 87.04 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.06 -1.259 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -115.37 159.55 20.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.742 . . . . 0.0 109.416 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.61 -15.29 0.28 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.252 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.6 m-20 -83.05 68.67 9.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.794 -1.415 . . . . 0.0 109.884 -179.491 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -69.24 -39.93 78.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.15 -14.55 59.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.057 -1.027 . . . . 0.0 111.543 -177.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.9 pttp -146.66 165.21 30.25 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.618 -1.301 . . . . 0.0 110.228 -179.122 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -113.02 135.3 53.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.783 -0.573 . . . . 0.0 109.561 -179.78 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' B' ' 30' ' ' SER . 54.9 tttm -98.81 145.76 26.62 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 36.7 pttt -41.87 -25.31 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.067 0.936 . . . . 0.0 109.224 -179.028 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.8 t -79.73 -47.65 14.94 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.464 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 77.7 tt0 -69.36 -35.26 75.67 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.607 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.198 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.694 ' HZ3' ' ND2' ' B' ' 37' ' ' ASN . 58.6 tttm -59.9 -40.04 87.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.452 -0.78 . . . . 0.0 109.666 -179.489 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.02 -40.0 87.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.232 -0.918 . . . . 0.0 108.854 -179.221 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.453 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.2 tt -61.79 -48.8 78.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.068 -1.02 . . . . 0.0 109.186 178.67 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.75 -45.38 57.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.452 -0.78 . . . . 0.0 112.122 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.694 ' ND2' ' HZ3' ' B' ' 33' ' ' LYS . 3.9 m120 -69.57 -39.99 77.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.783 -1.198 . . . . 0.0 112.341 -176.768 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.76 12.88 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.468 -0.77 . . . . 0.0 112.97 -176.574 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 16.4 tt0 -81.48 -9.65 59.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.158 -1.588 . . . . 0.0 108.888 -178.553 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.0 mt -133.79 57.0 1.82 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.282 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.0 p -60.02 -40.77 90.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.936 -1.103 . . . . 0.0 110.557 -179.011 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -132.9 -18.0 2.4 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.169 -0.957 . . . . 0.0 110.055 -179.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.53 ' CZ ' ' OE1' ' A' ' 4' ' ' GLU . 2.5 t80 -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.032 . . . . 0.0 109.415 -179.772 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.37 161.78 33.61 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.248 -0.908 . . . . 0.0 108.56 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.96 111.7 1.0 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.213 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.72 139.99 57.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 0.0 108.858 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mm -69.9 141.93 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.731 -1.231 . . . . 0.0 108.841 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -15.81 14.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.446 -0.784 . . . . 0.0 111.297 -178.453 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.436 ' OE1' ' OE2' ' B' ' 51' ' ' GLU . 85.8 tt0 -149.96 150.25 31.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.564 -1.335 . . . . 0.0 110.048 -179.551 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.456 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.3 mm100 -60.05 -33.19 71.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.58 -0.7 . . . . 0.0 110.982 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.436 ' OE2' ' OE1' ' B' ' 49' ' ' GLU . 20.7 pt-20 -60.03 -37.29 79.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 0.0 110.757 -177.87 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.19 -40.02 82.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 120.843 -1.16 . . . . 0.0 108.573 -179.837 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.09 -38.76 83.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.81 -38.32 90.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.561 -0.712 . . . . 0.0 109.871 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.71 -40.01 91.8 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.41 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 22.3 t -65.45 -33.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.297 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -70.02 -27.58 64.79 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.592 -179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 119.814 -1.804 . . . . 0.0 106.398 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.0 m -81.65 -39.98 23.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.907 -0.495 . . . . 0.0 110.632 178.753 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.437 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 0.8 OUTLIER -87.76 -17.55 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.166 -0.959 . . . . 0.0 110.594 -177.658 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 62.0 t0 -80.96 63.86 5.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 178.371 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.74 -39.99 86.58 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.452 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 47.4 p-10 -84.68 -1.06 55.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.997 -1.065 . . . . 0.0 109.511 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.18 34.74 90.77 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 120.099 -1.048 . . . . 0.0 111.031 178.641 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.2 p-10 -104.48 1.17 29.65 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.043 -1.269 . . . . 0.0 109.655 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.545 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 76.48 7.89 85.58 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.408 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.6 mt-10 -137.47 138.31 39.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.903 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 15.6 p -102.12 128.74 48.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.049 -1.032 . . . . 0.0 108.982 179.386 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -80.03 170.0 17.07 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.473 -0.767 . . . . 0.0 110.43 -178.742 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -54.16 -39.99 67.05 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.796 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.23 -39.37 82.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.288 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.7 mt-10 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.524 -1.36 . . . . 0.0 109.518 -179.823 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -70.0 -25.01 63.4 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.147 -0.971 . . . . 0.0 108.449 179.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.01 -39.71 86.72 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.052 0.929 . . . . 0.0 108.656 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.33 76.82 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.042 -1.036 . . . . 0.0 110.151 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.092 -1.005 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -37.68 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.452 -0.78 . . . . 0.0 109.754 -178.881 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.07 84.2 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.033 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.9 mtp -60.28 -47.1 87.47 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.595 -0.691 . . . . 0.0 112.241 -179.487 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 t -73.69 -28.72 25.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 120.958 -1.089 . . . . 0.0 110.36 -178.342 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.122 -0.986 . . . . 0.0 108.564 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.407 ' H ' ' HG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -59.53 -40.05 85.93 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.758 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.57 72.11 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.02 -37.82 80.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.658 -0.651 . . . . 0.0 109.673 179.496 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -60.04 -39.93 87.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.232 -179.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.51 -29.36 66.97 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.272 -0.893 . . . . 0.0 109.395 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -86.58 -24.83 25.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 108.56 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.367 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.818 0.818 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.587 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 36.1 t-80 -60.09 -37.83 81.12 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.019 -1.051 . . . . 0.0 108.398 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -57.4 -32.28 66.69 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 31.2 mtmm -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.666 -1.271 . . . . 0.0 108.818 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.97 -29.29 66.36 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.148 -0.97 . . . . 0.0 109.309 179.664 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -61.71 -24.62 66.9 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.545 -1.347 . . . . 0.0 109.734 179.595 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -50.84 -26.13 5.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.585 -1.322 . . . . 0.0 108.263 -179.781 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.566 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.4 tppt? -76.77 -40.05 49.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.707 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' X' ' 109' ' ' MET . 47.8 p -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.632 179.651 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.528 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 37.7 t-80 -59.97 -37.69 80.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.083 -1.01 . . . . 0.0 108.413 179.015 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.63 -32.35 67.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.51 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 31.3 mtmm -59.95 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.605 -1.31 . . . . 0.0 108.921 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.01 -29.22 66.23 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.188 -0.945 . . . . 0.0 109.261 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -61.55 -24.64 66.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.517 -1.365 . . . . 0.0 109.777 179.514 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -50.91 -26.12 5.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.604 -1.31 . . . . 0.0 108.285 -179.66 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.567 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -76.86 -40.06 48.96 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.789 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 52.7 p -60.02 -33.37 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.32 -0.952 . . . . 0.0 108.647 179.596 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.451 ' CA ' ' OE2' ' B' ' 39' ' ' GLU . 3.9 t 61.0 21.73 12.04 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.454 -0.779 . . . . 0.0 109.561 -179.927 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.89 -6.5 49.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.43 -0.793 . . . . 0.0 109.214 179.366 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' GLU . 25.1 tp -42.49 -23.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.719 . . . . 0.0 110.277 -178.785 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLU . 85.6 tt0 -69.91 -39.31 76.26 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.995 -1.066 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -74.93 -32.96 61.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.789 -1.195 . . . . 0.0 109.296 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -45.17 72.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.36 -0.837 . . . . 0.0 110.742 -178.629 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.15 -39.92 91.9 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.181 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.07 -35.81 75.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.504 -0.747 . . . . 0.0 109.739 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.7 -36.15 78.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.397 -0.814 . . . . 0.0 111.217 -178.46 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.97 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.679 -1.263 . . . . 0.0 107.998 -179.355 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.43 -39.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.749 -0.594 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.14 -48.86 79.94 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.869 -1.144 . . . . 0.0 112.28 -178.379 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.01 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.014 -1.053 . . . . 0.0 110.773 -177.816 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.535 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 88.9 t80 -58.66 -36.91 74.9 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.926 -1.109 . . . . 0.0 109.575 -178.916 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.438 ' HE2' ' CD2' ' B' ' 85' ' ' HIS . 41.4 m-70 -69.44 -26.23 64.5 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 110.199 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.98 -42.8 94.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.552 -1.343 . . . . 0.0 110.573 -179.142 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 70.1 m-85 -95.52 -28.99 14.61 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.76 -1.213 . . . . 0.0 112.435 -178.804 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.535 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 50.3 m -60.01 -40.03 87.88 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 120.925 -1.109 . . . . 0.0 109.189 -178.403 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.15 4.52 83.15 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.796 -1.414 . . . . 0.0 110.629 -178.628 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -101.93 0.37 35.24 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.061 -1.024 . . . . 0.0 108.861 179.501 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.64 -3.22 59.1 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 26' ' ' LYS . 68.8 m-20 -82.3 68.11 8.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.919 -1.342 . . . . 0.0 108.324 179.284 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -69.38 -36.02 76.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 110.227 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -77.83 -20.03 53.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 111.233 -178.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.7 pttt -143.8 159.05 43.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.851 -1.156 . . . . 0.0 109.945 -179.068 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 tp -118.14 130.12 55.93 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 63.4 tttp -99.15 144.37 28.36 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 -179.63 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.2 pttm -41.08 -22.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.783 0.801 . . . . 0.0 109.618 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 t -72.11 -55.52 7.18 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.405 0.621 . . . . 0.0 109.617 -179.458 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 17' ' ' TYR . 68.5 mt-10 -62.72 -34.06 76.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.34 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.08 -44.76 94.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.654 -0.654 . . . . 0.0 109.603 -179.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.95 -39.97 96.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.283 -0.885 . . . . 0.0 110.398 179.681 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.19 69.27 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.091 -1.005 . . . . 0.0 109.11 -178.444 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.9 -44.47 63.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.909 -1.119 . . . . 0.0 108.912 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.68 -48.67 63.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.708 -178.296 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.68 -30.66 52.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 112.096 -178.616 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -40.36 8.4 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.099 -1.0 . . . . 0.0 112.893 -177.504 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 7.4 tp10 -87.45 -19.45 27.99 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.29 -1.506 . . . . 0.0 110.711 -177.675 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.9 mt -116.97 48.4 1.32 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 89.5 p -60.1 -40.32 89.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.511 -0.743 . . . . 0.0 111.538 -178.319 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -129.69 -20.63 3.19 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.023 -1.048 . . . . 0.0 110.54 -179.123 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.7 -38.06 89.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.027 -1.046 . . . . 0.0 109.888 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.0 tp -138.71 155.35 48.31 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.046 -1.034 . . . . 0.0 108.221 179.453 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.0 113.87 2.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.67 -1.269 . . . . 0.0 108.667 179.725 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.588 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -67.88 176.95 2.31 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.584 -0.697 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.01 135.41 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -101.73 -20.91 14.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.478 -0.764 . . . . 0.0 110.465 -177.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -117.98 140.09 50.24 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.302 -0.874 . . . . 0.0 110.206 -179.323 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.616 ' NE2' ' N ' ' A' ' 51' ' ' GLU . 2.9 pp0? -71.15 -18.77 62.49 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.522 -0.736 . . . . 0.0 110.009 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.616 ' N ' ' NE2' ' A' ' 50' ' ' GLN . 8.4 pt-20 -65.99 -39.56 90.43 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.011 -1.055 . . . . 0.0 109.661 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.5 t -60.04 -39.91 81.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.681 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.61 -40.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.52 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -61.69 -40.0 93.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.397 -0.814 . . . . 0.0 109.914 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 63.1 tttm -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -179.743 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 t -64.91 -31.63 54.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.5 mmm -70.06 -33.2 71.62 Favored 'General case' 0 C--O 1.195 -1.769 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.79 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.38 -39.07 75.26 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.051 -1.656 . . . . 0.0 107.084 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -73.93 -46.29 45.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.746 -0.596 . . . . 0.0 110.859 179.291 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.2 mt -89.47 -13.03 38.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.175 -178.359 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.1 t0 -79.88 58.54 2.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.25 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 63.2 mt-10 -59.62 -31.85 69.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 75.6 m-20 -77.89 -10.32 59.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.853 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.15 30.05 72.73 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 179.536 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 46.2 p-10 -108.49 9.42 27.5 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.216 -1.167 . . . . 0.0 110.212 -179.56 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.523 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 74.7 9.59 82.75 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.398 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 77.1 mt-10 -139.32 134.73 32.96 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 11.2 p -99.01 129.76 45.31 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.946 -1.097 . . . . 0.0 108.693 179.522 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 5.3 t70 -70.6 166.27 21.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.28 -0.888 . . . . 0.0 109.037 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 10.6 t80 -55.08 -39.9 69.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.024 -1.048 . . . . 0.0 108.925 -179.415 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.7 -35.23 80.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.824 -1.172 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 39.6 mt-10 -68.55 -40.09 80.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.049 -1.032 . . . . 0.0 110.284 -179.329 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -59.97 -39.45 85.7 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.678 -0.639 . . . . 0.0 110.471 -179.434 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.02 -32.55 73.84 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.602 -1.311 . . . . 0.0 110.385 -178.654 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.97 -38.32 82.2 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.098 -1.001 . . . . 0.0 110.123 179.647 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.7 -36.64 77.22 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 O-C-N 121.572 -0.705 . . . . 0.0 110.298 -178.526 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 19.1 p -65.85 -40.07 91.38 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.834 -177.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.0 ptm -75.27 -39.97 59.27 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.313 -178.376 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.61 -37.6 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.664 -1.272 . . . . 0.0 109.604 -179.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.03 87.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 108.954 -179.518 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -54.1 -36.69 63.48 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.03 92.21 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.809 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 m -59.65 -33.9 72.13 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.562 -0.711 . . . . 0.0 109.459 -179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.438 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 42.4 t-80 -59.79 -41.03 90.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.03 -1.044 . . . . 0.0 108.683 179.801 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.05 -39.97 91.84 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.136 -0.978 . . . . 0.0 108.43 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.52 -40.03 70.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.304 -1.399 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.449 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 3.7 t 61.15 21.75 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 109.504 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -74.94 -6.37 48.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.485 -0.759 . . . . 0.0 109.189 179.412 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.9 tp -42.49 -23.99 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -178.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.6 tt0 -69.75 -39.24 76.87 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -74.89 -32.99 61.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 109.281 -179.163 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.23 72.91 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.375 -0.828 . . . . 0.0 110.728 -178.698 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 31.0 mtt -61.04 -40.01 91.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 110.222 -179.454 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.03 -35.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.516 -0.74 . . . . 0.0 109.802 -179.711 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.93 -36.03 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 111.326 -178.545 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.665 -1.272 . . . . 0.0 107.84 -179.448 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.23 -40.08 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.93 -48.76 80.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.817 -1.177 . . . . 0.0 112.402 -178.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -39.99 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.93 -1.106 . . . . 0.0 110.7 -177.798 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.541 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 89.4 t80 -58.61 -37.15 75.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.034 -1.041 . . . . 0.0 109.519 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.438 ' HE2' ' CD2' ' A' ' 85' ' ' HIS . 41.6 m-70 -69.28 -26.21 64.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.968 -1.083 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.12 -42.23 94.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.576 -1.327 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 70.0 m-85 -96.05 -29.0 14.36 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.827 -1.17 . . . . 0.0 112.232 -178.795 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.541 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 52.1 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.009 -1.057 . . . . 0.0 109.263 -178.506 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.16 4.45 83.36 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.07 -49.88 75.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.733 -1.451 . . . . 0.0 110.674 -178.479 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -101.9 0.37 35.31 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 108.916 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.74 58.72 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 68.3 m-20 -82.07 68.31 8.41 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.92 -1.341 . . . . 0.0 108.5 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -69.49 -36.1 76.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.392 -0.818 . . . . 0.0 110.258 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -77.9 -19.9 53.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.226 -178.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' B' ' 23' ' ' ASP . 54.1 pttt -143.83 158.78 43.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.859 -1.151 . . . . 0.0 109.95 -179.032 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.86 130.19 56.1 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.562 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' B' ' 30' ' ' SER . 63.3 tttp -99.53 144.24 28.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.874 -1.141 . . . . 0.0 109.859 -179.702 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.1 pttm -40.92 -23.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.785 0.802 . . . . 0.0 109.566 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.526 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.4 t -72.24 -55.37 7.32 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.663 -179.374 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' B' ' 17' ' ' TYR . 67.6 mt-10 -62.77 -34.04 76.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.161 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.05 -45.01 94.26 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.705 -0.622 . . . . 0.0 109.521 -179.249 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.75 -39.97 95.8 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.27 -0.894 . . . . 0.0 110.416 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.09 69.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 109.131 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.8 -44.62 63.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.889 -1.132 . . . . 0.0 108.932 178.323 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.72 -48.55 64.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.81 -0.556 . . . . 0.0 110.671 -178.191 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.2 m-20 -77.63 -30.99 52.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.151 -0.968 . . . . 0.0 112.097 -178.482 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -40.05 8.56 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.1 -1.0 . . . . 0.0 112.848 -177.395 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' A' ' 1' ' ' SER . 6.9 tp10 -87.73 -19.32 27.75 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.369 -1.457 . . . . 0.0 110.741 -177.676 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 11.3 mt -116.92 48.05 1.37 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.71 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 95.0 p -60.05 -40.35 89.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.468 -0.77 . . . . 0.0 111.558 -178.231 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.51 -20.6 3.26 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.953 -1.092 . . . . 0.0 110.633 -179.126 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -63.93 -37.88 89.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.029 -1.044 . . . . 0.0 109.831 -179.276 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -138.83 155.26 48.28 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.464 ' HG2' ' HE ' ' Y' ' 104' ' ' ARG . 86.9 tt0 -60.86 114.09 2.86 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.663 -1.273 . . . . 0.0 108.577 179.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 0.4 OUTLIER -67.91 177.16 2.24 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.512 0.673 . . . . 0.0 109.979 179.941 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.444 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 91.0 mt -109.17 135.39 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -101.78 -21.0 14.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.784 . . . . 0.0 110.424 -177.783 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -117.79 139.98 50.32 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.621 ' NE2' ' N ' ' B' ' 51' ' ' GLU . 2.9 pp0? -71.17 -18.75 62.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.615 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.621 ' N ' ' NE2' ' B' ' 50' ' ' GLN . 8.0 pt-20 -65.93 -39.88 90.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.037 -1.039 . . . . 0.0 109.654 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 70.4 t -60.03 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.738 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.4 -39.93 84.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.571 179.595 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.85 -39.91 93.5 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.397 -0.814 . . . . 0.0 109.921 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.51 -39.99 92.5 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.02 -31.93 56.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.615 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -69.89 -33.17 71.85 Favored 'General case' 0 C--O 1.195 -1.767 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.811 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -57.48 -38.98 75.43 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 120.031 -1.668 . . . . 0.0 107.157 179.219 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -74.0 -46.18 45.22 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.817 -0.552 . . . . 0.0 110.829 179.314 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 40.9 mt -89.64 -13.06 37.88 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.026 -1.046 . . . . 0.0 111.239 -178.362 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -79.79 58.59 2.86 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.225 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 61.4 mt-10 -59.73 -31.82 69.97 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.424 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 75.1 m-20 -77.88 -10.49 59.6 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.41 29.93 72.9 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.581 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 46.1 p-10 -108.32 9.43 27.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.258 -1.142 . . . . 0.0 110.258 -179.66 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.442 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 74.51 9.91 82.21 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.356 -1.898 . . . . 0.0 108.356 -179.448 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 79.6 mt-10 -139.55 134.55 32.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 10.0 p -98.86 129.78 45.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.936 -1.102 . . . . 0.0 108.742 179.651 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 5.5 t70 -70.61 166.36 20.84 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 108.985 -179.191 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.4 t80 -55.15 -39.99 70.09 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.008 -1.058 . . . . 0.0 108.876 -179.468 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.81 -34.83 79.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.802 -1.186 . . . . 0.0 109.86 179.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 40.1 mt-10 -68.82 -40.11 79.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.989 -1.069 . . . . 0.0 110.225 -179.289 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.69 -35.7 80.77 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.695 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -59.96 -39.41 85.53 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.665 -0.647 . . . . 0.0 110.472 -179.253 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.446 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.92 -32.52 73.83 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.566 -1.334 . . . . 0.0 110.376 -178.632 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.06 -38.03 81.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -36.68 77.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 O-C-N 121.553 -0.717 . . . . 0.0 110.246 -178.615 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 20.2 p -65.69 -39.98 91.83 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.96 -178.11 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.7 ptm -75.52 -40.01 57.6 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.859 -1.151 . . . . 0.0 111.322 -178.385 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.44 -37.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.609 -1.307 . . . . 0.0 109.472 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.8 m -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.002 -179.44 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.468 ' H ' ' HG1' ' B' ' 82' ' ' THR . 3.1 m -54.18 -36.61 63.6 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.84 91.78 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.857 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.4 m -59.97 -33.61 72.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.726 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.438 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 41.7 t-80 -60.0 -40.7 90.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.004 -1.06 . . . . 0.0 108.636 179.79 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.22 -40.02 92.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.079 -1.013 . . . . 0.0 108.415 178.739 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.56 -39.75 70.45 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.777 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.303 -1.439 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' X' X ' 104' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' X' ' 104' ' ' ARG . 41.3 ttt-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.035 0.445 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' X' X ' 105' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.7 p-80 -60.09 -39.24 85.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.91 -178.849 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' X' X ' 106' ' ' LYS . . . . . 0.611 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 2.1 tmtp? -59.98 -39.22 84.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 110.277 -179.238 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' X' X ' 107' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 18.6 mtpp -60.08 -40.02 88.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 0.0 110.807 -178.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -76.36 -27.15 56.33 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.83 -1.169 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' X' X ' 109' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.1 -24.55 63.05 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.763 -1.211 . . . . 0.0 108.964 -179.684 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' X' X ' 110' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' X' ' 107' ' ' LYS . 0.2 OUTLIER -51.45 -29.06 14.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.417 -1.427 . . . . 0.0 109.655 -179.233 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' X' X ' 111' ' ' LYS . . . . . 0.439 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.5 -1.375 . . . . 0.0 107.585 176.351 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' X' X ' 112' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' X' ' 109' ' ' MET . 41.2 p -60.94 -38.83 87.18 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.755 -179.724 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.848 . . . . 0.0 . -179.451 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' Y' Y ' 104' ' ' ARG . . . . . 0.464 ' HE ' ' HG2' ' B' ' 45' ' ' GLU . 41.7 ttt-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.8 p-80 -60.02 -39.22 85.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.914 -1.116 . . . . 0.0 109.863 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' Y' Y ' 106' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 2.2 tmtp? -60.0 -39.36 85.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.24 -179.212 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' Y' Y ' 107' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 18.6 mtpp -59.9 -40.01 87.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.943 -1.098 . . . . 0.0 110.828 -178.888 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.56 -26.73 55.42 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.879 -1.138 . . . . 0.0 110.116 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' Y' Y ' 109' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.4 -24.58 63.58 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.799 -1.188 . . . . 0.0 108.976 -179.806 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' Y' Y ' 110' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' Y' ' 107' ' ' LYS . 0.2 OUTLIER -51.51 -29.14 15.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.433 -1.417 . . . . 0.0 109.577 -179.357 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' Y' Y ' 111' ' ' LYS . . . . . 0.436 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.5 OUTLIER -69.96 -40.3 75.51 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.418 -1.426 . . . . 0.0 107.669 176.42 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 40.8 p -60.15 -38.59 83.6 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.02 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.446 -0.784 . . . . 0.0 . -179.334 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 2' ' ' GLU . 59.3 ttm . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.18 19.99 0.36 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.188 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 21.3 pt-20 -76.22 26.4 0.12 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.8 OUTLIER -63.73 -30.56 71.65 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.794 -1.192 . . . . 0.0 109.188 -179.292 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.8 -39.98 95.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.321 -0.862 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' A' ' 2' ' ' GLU . 47.6 pttt -73.85 -28.18 61.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.511 -1.368 . . . . 0.0 108.783 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.72 78.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.701 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -68.91 -39.78 79.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.94 -1.1 . . . . 0.0 109.217 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.04 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.565 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -38.88 67.73 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.253 -0.904 . . . . 0.0 110.214 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -43.4 92.3 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.412 HG21 HD12 ' A' ' 11' ' ' ILE . 78.9 mt -69.92 -34.62 60.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.715 -0.616 . . . . 0.0 110.416 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 m-20 -60.01 -46.3 89.92 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.845 -1.159 . . . . 0.0 111.67 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -39.94 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.737 -1.227 . . . . 0.0 108.927 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 30.8 t80 -57.45 -38.37 74.33 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.97 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -66.63 -29.65 69.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 110.883 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -60.04 -41.88 93.24 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.871 -1.143 . . . . 0.0 110.414 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -90.52 -40.12 12.17 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.825 -1.172 . . . . 0.0 112.455 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.4 p -60.13 -41.33 92.47 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.83 -1.169 . . . . 0.0 110.39 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.19 -10.2 84.24 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.46 -47.15 87.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.17 -1.194 . . . . 0.0 109.429 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -114.6 172.52 6.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.724 0.773 . . . . 0.0 110.165 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -55.04 -32.98 56.98 Favored Glycine 0 N--CA 1.493 2.437 0 O-C-N 121.705 -0.622 . . . . 0.0 112.032 -178.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 26' ' ' LYS . 6.4 m-20 -70.03 62.83 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.309 -1.701 . . . . 0.0 109.801 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLY . 36.0 ttpt -61.77 -39.99 93.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.563 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 6.3 p80 -94.67 0.33 54.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -0.951 . . . . 0.0 110.916 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 23' ' ' ASP . 48.2 mtmt -141.54 154.83 45.71 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.961 -1.087 . . . . 0.0 109.785 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.55 132.2 56.21 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.489 -0.757 . . . . 0.0 109.05 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.8 tttp -98.29 147.27 24.82 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -43.99 -24.25 0.13 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.123 -0.985 . . . . 0.0 109.175 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LYS . 24.4 t -77.13 -50.41 13.07 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.15 -36.88 85.49 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.99 -40.37 88.92 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.596 -0.69 . . . . 0.0 109.399 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 109.79 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.78 -40.11 95.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.138 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.1 tm? -60.18 -49.86 75.95 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.831 -1.168 . . . . 0.0 108.361 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.63 -49.01 55.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 112.49 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -75.54 -48.12 23.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.614 -1.304 . . . . 0.0 112.62 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -78.61 -47.05 17.9 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 121.483 -0.761 . . . . 0.0 112.855 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.624 -1.297 . . . . 0.0 109.958 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.9 62.57 2.65 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.601 -0.687 . . . . 0.0 110.186 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -137.37 -18.51 1.28 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.255 -0.903 . . . . 0.0 110.423 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -61.39 -39.97 92.65 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.075 . . . . 0.0 110.238 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -129.41 158.79 38.17 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.91 111.94 1.86 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 109.536 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' NH1' ' X' ' 104' ' ' ARG . 34.6 mt-10 -53.58 156.86 2.39 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.864 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.37 128.4 46.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -101.0 -23.17 14.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.164 -0.96 . . . . 0.0 109.26 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 94.5 mt-10 -124.4 139.79 53.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 109.826 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -69.42 -19.78 63.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 109.013 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.2 pt-20 -59.84 -35.48 74.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.905 -1.122 . . . . 0.0 109.183 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.13 -37.78 74.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 t -68.55 -33.36 59.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.5 t0 -65.39 -38.31 89.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.149 0.976 . . . . 0.0 109.502 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 65.6 tttm -69.88 -39.97 75.98 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 122.26 1.029 . . . . 0.0 108.521 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.0 t -67.61 -30.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -38.5 90.37 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.88 -39.89 72.18 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.385 -1.447 . . . . 0.0 107.549 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 m -78.6 -44.82 23.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.675 -0.641 . . . . 0.0 111.479 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.4 mt -89.73 -14.68 34.14 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.849 -1.157 . . . . 0.0 111.31 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.8 t0 -81.29 61.26 4.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -59.83 -40.04 87.12 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 -14.48 60.93 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.21 30.07 76.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -107.08 6.88 29.34 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.246 -1.15 . . . . 0.0 109.689 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.499 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.42 4.83 87.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -136.03 130.05 32.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.854 -0.792 . . . . 0.0 109.058 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 126.98 43.35 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.8 161.86 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.377 -0.827 . . . . 0.0 110.108 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -31.95 32.84 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.094 -1.004 . . . . 0.0 109.209 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.65 -38.14 80.21 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.421 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.5 mt-10 -68.46 -40.09 81.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.347 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.04 -37.52 82.88 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.428 -0.795 . . . . 0.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.457 ' C ' ' HG ' ' B' ' 78' ' ' SER . 75.6 mmm -60.01 -39.11 84.68 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.225 0.536 . . . . 0.0 110.607 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.2 67.83 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.252 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -70.01 -23.1 63.07 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.948 -1.095 . . . . 0.0 110.261 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -32.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.2 -0.937 . . . . 0.0 109.85 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.468 ' HG ' ' C ' ' B' ' 74' ' ' MET . 1.4 t -72.11 -40.22 68.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.373 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm -70.36 -42.66 71.54 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.027 -1.046 . . . . 0.0 110.936 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.95 -36.43 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.476 -1.39 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.8 m -59.81 -39.76 86.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.287 -0.883 . . . . 0.0 108.769 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.488 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.5 m -51.93 -41.98 62.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.3 82.22 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.45 -33.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.705 -0.622 . . . . 0.0 109.843 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -59.94 -41.07 91.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.827 -1.17 . . . . 0.0 108.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 52.6 mp0 -61.77 -39.03 90.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.953 -1.092 . . . . 0.0 108.96 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -81.67 -40.97 22.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.85 . . . . 0.0 110.018 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 31.2 t80 -95.14 67.92 3.07 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.31 103.29 10.98 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.67 0.748 . . . . 0.0 109.079 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.16 72.34 0.28 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.729 -0.607 . . . . 0.0 109.47 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.162 -0.961 . . . . 0.0 . -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.496 ' H2 ' HE21 ' A' ' 16' ' ' GLN . 58.7 ttm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.504 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.48 19.98 0.43 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.13 -0.981 . . . . 0.0 109.219 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.442 ' OE1' ' NZ ' ' B' ' 5' ' ' LYS . 21.6 pt-20 -76.01 25.59 0.12 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -63.0 -30.85 71.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.823 -1.173 . . . . 0.0 109.16 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.61 -40.01 95.58 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.262 -0.899 . . . . 0.0 111.821 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.442 ' NZ ' ' OE1' ' B' ' 2' ' ' GLU . 48.7 pttt -73.84 -28.14 61.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.525 -1.359 . . . . 0.0 108.804 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -39.26 77.75 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.645 -0.659 . . . . 0.0 110.784 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 25.7 mtt -68.87 -39.87 79.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.919 -1.113 . . . . 0.0 109.137 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.0 -35.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 119.804 -0.759 . . . . 0.0 110.566 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.99 -38.44 66.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -43.05 93.6 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.409 HD12 HG23 ' B' ' 11' ' ' ILE . 74.6 mt -69.93 -34.98 62.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.739 -0.601 . . . . 0.0 110.349 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.503 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 99.1 m-20 -59.98 -46.24 90.1 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.934 -1.104 . . . . 0.0 111.68 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -39.96 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.759 -1.213 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 28.7 t80 -57.76 -37.99 74.61 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.027 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.95 -29.15 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.725 -1.234 . . . . 0.0 110.791 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.581 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 0.3 OUTLIER -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.791 -1.193 . . . . 0.0 110.487 -179.249 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.674 ' HH ' ' N ' ' B' ' 39' ' ' GLU . 41.9 m-85 -90.48 -40.06 12.23 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.86 -1.15 . . . . 0.0 112.371 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 p -60.23 -41.21 92.64 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.68 -1.262 . . . . 0.0 110.429 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.97 -10.34 83.94 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.74 -46.8 89.06 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.171 -1.194 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.9 172.51 7.0 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.685 0.755 . . . . 0.0 110.127 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -54.99 -32.76 56.66 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.644 -0.66 . . . . 0.0 111.995 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 6.5 m-20 -70.09 62.83 0.22 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.311 -1.699 . . . . 0.0 109.847 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.6 ttpt -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.163 -0.961 . . . . 0.0 110.358 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.573 ' H ' ' CD2' ' B' ' 25' ' ' HIS . 6.2 p80 -94.77 0.31 54.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.173 -0.955 . . . . 0.0 110.816 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 49.1 mtmt -141.53 154.86 45.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.986 -1.071 . . . . 0.0 109.824 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.64 131.81 56.18 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.54 -0.725 . . . . 0.0 109.098 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.7 tttp -98.01 147.26 24.69 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 57.3 pttt -43.99 -24.11 0.13 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 22.8 t -77.2 -50.51 12.79 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.13 -36.96 85.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.07 -40.15 88.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.678 -0.639 . . . . 0.0 109.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.17 -40.03 88.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.63 -40.17 96.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 109.26 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.16 -49.68 76.68 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.846 -1.159 . . . . 0.0 108.449 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -70.84 -48.91 54.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.558 -0.714 . . . . 0.0 112.495 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.82 -47.97 23.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.654 -1.279 . . . . 0.0 112.603 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.69 -47.01 17.78 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.443 -0.786 . . . . 0.0 112.848 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.674 ' N ' ' HH ' ' B' ' 17' ' ' TYR . 22.5 tt0 -69.63 -40.04 76.79 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.534 -1.354 . . . . 0.0 109.858 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.62 62.57 2.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.618 ' HG ' ' HD1' ' B' ' 42' ' ' HIS . 96.0 p -60.09 -40.13 88.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.618 ' HD1' ' HG ' ' B' ' 41' ' ' SER . 80.8 m80 -137.13 -18.88 1.3 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.23 -0.919 . . . . 0.0 110.506 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.99 -39.87 91.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 110.279 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.57 158.89 38.02 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.97 -1.081 . . . . 0.0 109.526 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.553 ' O ' ' NH1' ' Y' ' 104' ' ' ARG . 30.4 mt-10 -53.47 156.62 2.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.66 0.743 . . . . 0.0 110.003 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -95.15 128.85 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -101.38 -23.11 14.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.21 -0.931 . . . . 0.0 109.384 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 94.7 mt-10 -124.54 140.01 53.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.678 -0.639 . . . . 0.0 109.666 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.89 -19.52 63.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.363 -0.836 . . . . 0.0 108.834 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 8.4 pt-20 -59.82 -35.44 74.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.957 -1.089 . . . . 0.0 109.159 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.08 -37.79 74.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 32.1 t -68.38 -33.52 60.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.4 t0 -65.44 -38.24 89.27 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.083 0.944 . . . . 0.0 109.51 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.613 ' NZ ' ' SD ' ' Y' ' 109' ' ' MET . 64.4 tttm -70.01 -39.95 75.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 122.3 1.048 . . . . 0.0 108.385 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.6 -30.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.595 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.57 -38.3 89.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.77 -39.98 71.98 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.409 -1.432 . . . . 0.0 107.52 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 m -78.8 -44.81 22.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.759 -0.588 . . . . 0.0 111.538 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 29.3 mt -89.59 -14.87 34.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.907 -1.121 . . . . 0.0 111.238 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.7 t0 -81.25 61.38 4.74 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -74.53 -14.16 60.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.14 29.96 75.95 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -107.05 6.92 29.44 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.177 -1.19 . . . . 0.0 109.659 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.09 5.11 86.98 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.84 129.68 32.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.752 -0.852 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.48 127.04 43.12 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -73.01 161.83 30.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 0.0 110.024 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.07 -31.95 32.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.079 -1.013 . . . . 0.0 109.234 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.79 -37.67 79.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.803 -1.186 . . . . 0.0 108.448 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 41.7 mt-10 -68.74 -40.15 79.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.081 -1.012 . . . . 0.0 109.179 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.78 -37.81 83.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.488 -0.757 . . . . 0.0 109.876 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.468 ' C ' ' HG ' ' A' ' 78' ' ' SER . 76.3 mmm -59.94 -39.03 84.11 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.216 0.531 . . . . 0.0 110.649 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.92 67.3 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.155 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.96 -23.49 63.18 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.98 -1.075 . . . . 0.0 110.265 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.52 -32.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.231 -0.918 . . . . 0.0 109.808 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.457 ' HG ' ' C ' ' A' ' 74' ' ' MET . 1.3 t -72.1 -40.11 68.41 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 110.394 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.8 ptm -70.56 -42.01 71.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.879 -1.138 . . . . 0.0 111.129 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.554 -1.341 . . . . 0.0 109.135 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 39.2 m -59.78 -39.5 85.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -0.875 . . . . 0.0 108.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.494 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.8 m -52.0 -42.13 62.75 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.05 82.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.58 -33.21 71.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -59.89 -40.96 90.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.76 -1.212 . . . . 0.0 108.93 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' B' ' 86' ' ' GLU . 53.1 mp0 -62.0 -38.93 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.974 -1.079 . . . . 0.0 108.894 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -81.8 -40.7 22.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.981 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 30.4 t80 -95.21 67.64 3.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.17 103.42 10.95 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.449 -0.782 . . . . 0.0 109.067 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.26 72.35 0.29 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.762 -0.586 . . . . 0.0 109.552 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.897 . . . . 0.0 . -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -89.63 0.92 56.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.055 -1.028 . . . . 0.0 109.853 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' X' ' 94' ' ' LEU . 8.2 mp -69.68 144.54 52.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.527 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -103.75 113.73 27.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.374 -0.828 . . . . 0.0 109.666 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -62.5 -40.04 95.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.17 -0.956 . . . . 0.0 110.05 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp 55.78 49.44 16.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.531 -0.731 . . . . 0.0 109.988 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.95 152.54 43.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.2 -0.937 . . . . 0.0 109.605 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' X' ' 100' ' ' GLN . . . 88.96 -155.18 25.2 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' X' ' 99' ' ' GLY . 25.9 mt-30 57.19 116.4 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.806 -0.82 . . . . 0.0 110.1 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.478 ' O ' ' N ' ' X' ' 103' ' ' SER . 50.3 m -56.34 -30.13 62.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 109.405 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.538 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 7.9 m -41.52 -24.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.627 . . . . 0.0 109.959 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.478 ' N ' ' O ' ' X' ' 101' ' ' SER . 9.4 t -47.61 -26.72 1.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 109.572 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 46' ' ' GLU . 2.9 ptm180 -46.16 -32.59 3.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.86 . . . . 0.0 109.596 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 22.0 p-80 -60.16 -39.94 88.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 108.905 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 78.9 tttt -59.91 -31.68 70.05 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.468 -0.77 . . . . 0.0 109.43 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 7.7 ttpm? -59.86 -40.14 87.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.179 . . . . 0.0 108.866 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.15 -24.85 58.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 55' ' ' LYS . 26.7 mmt -60.4 -24.8 65.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.806 -1.184 . . . . 0.0 110.297 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -53.9 -26.24 24.1 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.526 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.9 tppt? -72.7 -41.96 64.73 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.308 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -60.18 -35.31 75.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.462 -0.774 . . . . 0.0 109.631 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 . -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -89.74 1.04 56.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.986 -1.071 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.74 144.25 52.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.923 . . . . 0.0 109.437 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.97 113.86 27.7 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.378 -0.826 . . . . 0.0 109.642 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 52.4 m -62.37 -39.98 94.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 109.945 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 55.76 49.36 16.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.329 -0.857 . . . . 0.0 110.032 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -70.9 152.51 43.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.929 . . . . 0.0 109.655 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' Y' ' 100' ' ' GLN . . . 88.87 -155.1 25.22 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' Y' ' 99' ' ' GLY . 26.2 mt-30 57.4 116.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.826 -0.808 . . . . 0.0 110.178 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.482 ' O ' ' N ' ' Y' ' 103' ' ' SER . 53.9 m -56.17 -30.41 62.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.313 -0.867 . . . . 0.0 109.405 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.541 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 7.5 m -41.35 -24.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.678 -0.639 . . . . 0.0 110.102 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.482 ' N ' ' O ' ' Y' ' 101' ' ' SER . 10.2 t -47.72 -26.36 1.54 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' B' ' 46' ' ' GLU . 2.7 ptm180 -46.37 -32.54 3.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 21.1 p-80 -60.02 -40.12 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.147 -0.971 . . . . 0.0 108.951 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.544 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 78.7 tttt -59.9 -31.62 69.98 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.445 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 7.6 ttpm? -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.909 -1.119 . . . . 0.0 108.868 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.5 tp -75.31 -24.9 57.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.0 109.315 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.613 ' SD ' ' NZ ' ' B' ' 55' ' ' LYS . 24.6 mmt -60.21 -24.76 65.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.805 -1.185 . . . . 0.0 110.265 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -54.01 -26.33 25.68 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -72.41 -42.4 65.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.8 p -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.48 -0.762 . . . . 0.0 109.719 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 . -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 3' ' ' LEU . 6.3 m 59.76 22.26 11.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.519 -0.738 . . . . 0.0 110.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -76.32 15.52 0.58 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 108.796 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 1' ' ' SER . 59.3 tp -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.616 -0.677 . . . . 0.0 110.303 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.839 -1.163 . . . . 0.0 110.356 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -71.59 -39.66 70.41 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.248 -0.907 . . . . 0.0 110.281 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.32 83.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.045 -1.035 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.37 -40.0 95.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.165 -0.959 . . . . 0.0 109.945 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.47 -37.84 80.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.58 94.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.951 -0.468 . . . . 0.0 111.702 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.651 -1.281 . . . . 0.0 108.129 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -67.59 -37.66 79.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 O-C-N 121.642 -0.661 . . . . 0.0 111.008 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.18 -40.59 86.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.682 -1.261 . . . . 0.0 111.818 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -40.67 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 70' ' ' PHE . 83.3 t80 -60.03 -39.97 87.7 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.21 -0.931 . . . . 0.0 109.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -64.12 -28.64 69.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.868 -1.145 . . . . 0.0 110.594 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -59.99 -42.7 94.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.809 -1.182 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.19 -40.71 12.69 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.858 -1.151 . . . . 0.0 112.539 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.843 -1.161 . . . . 0.0 110.403 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.81 83.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -60.02 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.046 -1.267 . . . . 0.0 109.889 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.74 -73.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.248 -0.908 . . . . 0.0 109.108 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.97 -24.32 0.05 OUTLIER Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.317 -1.421 . . . . 0.0 110.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -80.67 84.34 6.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.803 -1.41 . . . . 0.0 109.562 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.04 -39.2 75.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.57 -0.706 . . . . 0.0 110.068 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.42 -0.57 57.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.227 -0.921 . . . . 0.0 110.703 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 20.4 ttpp -148.17 155.25 41.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.768 -1.208 . . . . 0.0 110.016 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.41 136.52 54.12 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 62.2 tttp -106.63 153.24 22.66 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.998 -1.063 . . . . 0.0 110.295 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -23.16 0.37 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 108.689 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 99.0 p -76.88 -48.22 18.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.05 -35.82 78.87 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 tp -60.03 -43.53 95.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.74 -0.6 . . . . 0.0 109.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 65.0 tttm -61.79 -40.0 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.869 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.5 -33.63 74.48 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.963 -1.086 . . . . 0.0 108.774 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.0 -51.89 54.29 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.086 -1.009 . . . . 0.0 108.998 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.03 -42.84 79.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.188 -0.945 . . . . 0.0 111.571 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 38' ' ' ASN . 19.0 t-20 -70.1 -40.01 75.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 112.171 -178.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.654 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.5 m120 -98.23 -39.95 8.6 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.299 -0.876 . . . . 0.0 112.498 -176.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -70.03 -33.99 72.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.565 -1.335 . . . . 0.0 108.236 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mt -119.87 40.97 3.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.918 -0.489 . . . . 0.0 110.002 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -60.49 -51.21 70.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.981 -1.075 . . . . 0.0 110.351 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.42 -22.85 12.13 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.342 -0.849 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.96 -29.72 66.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.983 -1.073 . . . . 0.0 110.56 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.0 tp -136.02 -144.54 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.119 -0.988 . . . . 0.0 109.221 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -95.12 109.77 21.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 110.229 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 147.32 53.24 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -95.17 142.35 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.026 -1.046 . . . . 0.0 109.798 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 -18.98 11.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.732 -0.605 . . . . 0.0 110.143 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -130.1 148.15 51.92 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.275 -0.891 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.5 mm100 -69.72 -24.9 63.63 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 7.7 pt-20 -60.74 -40.0 90.8 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.54 -0.725 . . . . 0.0 111.213 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 64.9 t -60.56 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.047 -1.033 . . . . 0.0 108.948 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.7 t -65.72 -40.01 86.55 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.537 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.5 -40.07 90.02 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.504 -0.748 . . . . 0.0 110.046 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.8 -39.98 87.95 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.9 -31.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.616 ' O ' ' N ' ' A' ' 61' ' ' ASP . 85.2 mmm -69.98 -30.5 67.86 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 119.449 -0.901 . . . . 0.0 109.034 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -57.3 -39.53 75.95 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.081 -1.637 . . . . 0.0 106.839 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -76.69 -45.16 30.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.756 -0.59 . . . . 0.0 111.381 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 mt -87.96 -16.94 32.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.834 -1.166 . . . . 0.0 110.691 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.616 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.0 t0 -79.66 60.53 3.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.66 -39.28 80.18 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.09 -15.87 63.05 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.92 31.79 81.98 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 8.9 p-10 -107.61 7.69 28.76 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.219 -1.165 . . . . 0.0 110.354 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 1.0 87.02 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 14.2 pt-20 -140.33 145.83 37.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.37 139.49 49.43 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.01 170.01 17.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.351 -0.843 . . . . 0.0 109.534 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 15.3 t80 -52.88 -40.63 63.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.028 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.13 -0.981 . . . . 0.0 110.614 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.49 -39.98 92.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.545 -1.347 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.45 -33.05 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.251 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 76.8 mmm -59.84 -36.68 77.34 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.754 -0.591 . . . . 0.0 109.434 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.52 72.47 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.899 -1.126 . . . . 0.0 110.471 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.97 -39.96 87.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.919 -1.113 . . . . 0.0 109.075 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.98 -37.95 74.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-O 121.208 0.528 . . . . 0.0 110.088 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -64.46 -39.98 94.85 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.253 -0.904 . . . . 0.0 109.288 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.0 mtp -67.22 -46.01 75.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.699 -0.625 . . . . 0.0 112.022 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.31 -34.15 61.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.825 -1.172 . . . . 0.0 110.277 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -60.76 -40.02 90.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 108.749 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.509 ' H ' ' HG1' ' A' ' 82' ' ' THR . 2.0 m -54.25 -34.65 61.25 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.34 89.39 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.138 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.8 m -59.97 -34.83 73.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.529 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.67 -39.72 81.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.0 109.198 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -40.02 87.82 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.195 -0.941 . . . . 0.0 108.521 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.85 -39.97 16.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.943 . . . . 0.0 109.796 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.2 66.6 3.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.255 -0.903 . . . . 0.0 108.821 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.46 100.42 8.5 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -60.03 -41.42 92.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.434 -0.792 . . . . 0.0 109.373 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 0.0 . 179.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.248 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.496 ' C ' ' H ' ' B' ' 3' ' ' LEU . 6.6 m 59.8 21.99 10.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.436 -0.79 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.12 15.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.246 -0.909 . . . . 0.0 108.825 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.9 tp -59.98 -31.63 70.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.572 -0.705 . . . . 0.0 110.156 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.01 -40.02 87.79 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.776 -1.203 . . . . 0.0 110.297 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -71.52 -39.63 70.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.343 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.17 83.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.072 -1.017 . . . . 0.0 111.042 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.1 mtt -62.4 -40.03 95.19 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 110.006 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.38 -38.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.86 95.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.953 -0.467 . . . . 0.0 111.777 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.96 -40.02 87.63 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.497 -1.377 . . . . 0.0 108.128 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -67.43 -37.74 79.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 O-C-N 121.68 -0.638 . . . . 0.0 111.004 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -67.12 -40.56 86.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.603 -1.311 . . . . 0.0 111.924 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -40.72 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.02 -1.05 . . . . 0.0 110.17 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.416 ' CD2' ' CD1' ' B' ' 70' ' ' PHE . 83.1 t80 -59.98 -39.94 87.43 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.163 -0.961 . . . . 0.0 109.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -64.34 -28.36 69.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.875 -1.14 . . . . 0.0 110.549 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -60.07 -42.69 95.11 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 110.217 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -89.27 -40.65 12.68 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 112.617 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.437 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 59.9 p -60.08 -40.03 88.13 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.818 -1.176 . . . . 0.0 110.369 -178.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.437 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -82.4 -10.88 82.92 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.93 -48.95 79.62 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.106 -1.232 . . . . 0.0 109.843 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -85.8 -73.5 0.45 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.219 -0.926 . . . . 0.0 109.152 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.56 -25.09 0.05 OUTLIER Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.385 -1.388 . . . . 0.0 110.474 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -80.41 84.43 6.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.849 -1.383 . . . . 0.0 109.683 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -70.05 -39.05 75.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.545 -0.722 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -88.61 -0.4 57.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.209 -0.932 . . . . 0.0 110.73 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 20.7 ttpp -148.41 155.09 40.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.805 -1.184 . . . . 0.0 109.987 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 tp -124.32 136.65 54.27 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' B' ' 30' ' ' SER . 61.8 tttp -106.78 153.28 22.7 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.001 -1.062 . . . . 0.0 110.251 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -23.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.048 -1.033 . . . . 0.0 108.679 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.646 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 93.7 p -76.82 -48.43 18.55 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.646 ' N ' ' HG ' ' B' ' 30' ' ' SER . 45.3 mt-10 -67.53 -36.17 80.48 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 41.1 tp -60.0 -43.55 95.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.807 -0.558 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 65.2 tttm -61.81 -40.02 93.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.089 -1.007 . . . . 0.0 110.911 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.34 -33.81 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.937 -1.102 . . . . 0.0 108.729 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.89 -51.95 54.28 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.058 -1.027 . . . . 0.0 108.977 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.0 mt -70.03 -42.68 79.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.15 -0.969 . . . . 0.0 111.648 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.539 ' C ' HD21 ' B' ' 38' ' ' ASN . 18.8 t-20 -70.11 -39.96 75.2 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 112.236 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.654 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.5 m120 -98.28 -39.95 8.58 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.323 -0.861 . . . . 0.0 112.54 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -70.01 -34.14 72.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.455 -1.403 . . . . 0.0 108.191 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.9 41.05 3.27 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.967 -0.458 . . . . 0.0 110.005 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 t -60.6 -51.0 71.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.032 -1.042 . . . . 0.0 110.287 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -108.66 -22.58 12.18 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.352 -0.842 . . . . 0.0 110.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.95 -30.05 67.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.513 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.498 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.4 tp -135.69 -144.27 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.152 -0.968 . . . . 0.0 109.191 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.498 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -95.22 109.62 21.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.07 147.35 53.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -95.2 142.16 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.044 -1.035 . . . . 0.0 109.937 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -19.5 11.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.732 -0.605 . . . . 0.0 110.27 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.04 148.41 51.88 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.305 -0.872 . . . . 0.0 110.702 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 7.5 mm100 -69.69 -24.86 63.64 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 7.9 pt-20 -60.69 -40.08 90.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 111.244 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 68.3 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.905 -1.122 . . . . 0.0 108.836 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 65.5 t -65.76 -39.95 86.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.583 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.59 -39.95 89.96 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.525 -0.735 . . . . 0.0 110.003 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -66.98 -39.97 87.31 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.0 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.613 ' O ' ' N ' ' B' ' 61' ' ' ASP . 85.5 mmm -70.07 -30.34 67.56 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.438 -0.905 . . . . 0.0 108.983 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -57.45 -39.44 76.32 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.055 -1.653 . . . . 0.0 106.805 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.8 m -76.8 -45.01 30.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 mt -88.0 -17.03 32.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.862 -1.149 . . . . 0.0 110.764 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.3 t0 -79.74 60.57 3.44 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.67 -39.2 79.97 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.03 -16.15 63.12 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.21 31.74 81.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 8.0 p-10 -107.61 7.63 28.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -1.152 . . . . 0.0 110.286 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.04 1.07 87.24 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 14.3 pt-20 -140.42 145.93 37.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.56 139.59 49.46 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -78.09 169.79 17.69 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.503 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.416 ' CD1' ' CD2' ' B' ' 14' ' ' PHE . 15.4 t80 -52.63 -40.84 63.18 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 121.247 -0.908 . . . . 0.0 109.011 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.78 -40.06 95.74 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.129 -0.982 . . . . 0.0 110.634 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.52 -39.97 92.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.511 -1.368 . . . . 0.0 109.631 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -66.17 -33.14 75.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 109.314 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.94 -36.7 77.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.625 -0.672 . . . . 0.0 109.444 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -32.57 72.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.461 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.879 -1.138 . . . . 0.0 109.07 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.99 -37.86 74.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.222 0.534 . . . . 0.0 110.038 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.1 t -64.52 -39.99 94.8 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.0 mtp -66.99 -46.14 75.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.739 -0.601 . . . . 0.0 112.219 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.6 t -69.52 -34.0 59.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 O-C-N 120.911 -1.118 . . . . 0.0 110.219 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.88 -40.0 91.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.3 -0.875 . . . . 0.0 108.703 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -54.34 -34.8 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.25 88.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.156 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 78.5 m -60.01 -34.93 74.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 109.551 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.64 -39.58 80.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -39.96 87.6 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.22 -0.925 . . . . 0.0 108.621 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.96 -39.92 16.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 109.73 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.21 66.65 3.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.238 -0.914 . . . . 0.0 108.838 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -80.48 100.22 8.42 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.99 -41.23 91.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.41 -0.806 . . . . 0.0 109.444 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 . 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -79.98 135.81 36.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.095 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 61.9 mt -80.94 -69.31 0.61 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.883 . . . . 0.0 110.034 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -140.61 153.92 46.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.372 -0.83 . . . . 0.0 109.827 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 6.3 t -76.29 -66.75 0.76 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.444 -0.785 . . . . 0.0 108.945 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . 0.573 ' HZ3' ' NE2' ' X' ' 100' ' ' GLN . 77.4 tttt -170.51 88.85 0.14 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 0.0 109.358 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -84.56 -12.78 53.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.228 -0.92 . . . . 0.0 109.285 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.31 -38.45 57.12 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . 0.573 ' NE2' ' HZ3' ' X' ' 97' ' ' LYS . 90.8 mt-30 -100.22 134.8 42.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.188 -1.184 . . . . 0.0 109.988 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.424 ' O ' ' N ' ' X' ' 103' ' ' SER . 67.6 m -63.54 -24.97 68.04 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.4 ' C ' ' O ' ' X' ' 101' ' ' SER . 58.2 m -44.1 -24.57 0.16 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.599 -0.688 . . . . 0.0 109.233 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.424 ' N ' ' O ' ' X' ' 101' ' ' SER . 19.1 t -50.0 -29.96 9.65 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -60.01 -41.89 93.13 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.274 -0.891 . . . . 0.0 108.621 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' X' ' 109' ' ' MET . 54.1 t60 -60.51 -39.96 89.68 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.84 . . . . 0.0 108.895 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.11 -30.2 64.17 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.05 -40.4 89.28 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.7 tp -65.84 -38.43 88.85 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.237 -0.914 . . . . 0.0 109.556 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -48.55 -24.55 1.35 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.801 -1.187 . . . . 0.0 109.832 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.557 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -40.69 -48.06 2.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.047 -1.033 . . . . 0.0 109.998 -179.174 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.557 ' NZ ' ' CZ ' ' X' ' 110' ' ' PHE . 1.3 ptpm? -74.22 -32.34 62.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.884 . . . . 0.0 110.54 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' X' ' 109' ' ' MET . 66.8 p -60.02 -36.98 78.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.733 -1.229 . . . . 0.0 108.24 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.542 -0.724 . . . . 0.0 . 179.509 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -80.03 135.69 36.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.913 . . . . 0.0 109.054 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -80.96 -69.07 0.63 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -140.72 153.85 46.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.355 -0.84 . . . . 0.0 109.839 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 7.3 t -76.53 -66.5 0.8 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.39 -0.819 . . . . 0.0 109.002 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . 0.518 ' NZ ' ' NE2' ' Y' ' 100' ' ' GLN . 79.8 tttt -170.56 88.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.329 -0.857 . . . . 0.0 109.461 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -84.55 -12.75 53.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.236 -0.915 . . . . 0.0 109.308 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.4 -38.25 57.18 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . 0.518 ' NE2' ' NZ ' ' Y' ' 97' ' ' LYS . 90.3 mt-30 -100.4 134.7 42.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.13 -1.218 . . . . 0.0 109.912 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.431 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.1 m -63.56 -24.89 68.0 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 51.3 m -44.01 -24.64 0.16 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.55 -0.719 . . . . 0.0 109.203 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.431 ' N ' ' O ' ' Y' ' 101' ' ' SER . 22.0 t -50.0 -29.73 9.18 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 -60.04 -42.14 93.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 108.691 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 55.4 t60 -60.41 -40.04 89.53 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.307 -0.871 . . . . 0.0 108.891 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.04 -30.34 64.15 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.97 -40.52 89.35 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.689 -1.204 . . . . 0.0 107.826 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.54 -38.92 91.01 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.276 -0.89 . . . . 0.0 109.613 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -48.23 -24.47 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.769 -1.207 . . . . 0.0 109.868 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.544 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -40.71 -48.15 2.93 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.032 -1.042 . . . . 0.0 109.975 -179.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 1.4 ptpm? -74.22 -32.4 62.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 110.505 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 57.8 p -59.96 -36.49 77.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.678 -1.263 . . . . 0.0 108.364 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.571 -0.705 . . . . 0.0 . 179.533 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m 60.03 27.9 17.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.455 -0.778 . . . . 0.0 109.783 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -75.73 -9.92 59.0 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.767 0.794 . . . . 0.0 108.989 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.5 tp -46.17 -19.66 0.08 Allowed 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.603 -0.686 . . . . 0.0 110.594 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' GLU . 96.6 mt-10 -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.533 -1.354 . . . . 0.0 110.208 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -32.69 37.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.067 -1.021 . . . . 0.0 110.047 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.82 76.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.282 -0.886 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 mtt -68.18 -39.94 82.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.887 -1.133 . . . . 0.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.32 -39.76 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.729 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.9 74.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.517 -0.739 . . . . 0.0 110.975 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -40.04 87.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 11' ' ' ILE . 81.1 mt -69.87 -37.32 72.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.277 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.09 -46.04 90.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.952 -1.093 . . . . 0.0 111.008 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -40.01 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.035 -1.04 . . . . 0.0 108.753 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.97 -39.95 75.57 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -70.01 -24.13 63.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.149 -0.969 . . . . 0.0 110.223 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.98 -44.23 94.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.788 -1.195 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -91.46 -34.91 14.63 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.894 -1.129 . . . . 0.0 111.697 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.425 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 8.4 p -60.03 -39.74 86.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.09 -1.006 . . . . 0.0 109.858 -178.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -77.16 -9.06 86.99 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 34.1 ttt-85 -60.0 -46.33 89.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.043 -1.269 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -115.01 170.86 8.03 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.554 -0.716 . . . . 0.0 109.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.71 -29.63 26.15 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.431 -0.793 . . . . 0.0 111.421 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 64.9 m-20 -69.92 68.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.614 -1.521 . . . . 0.0 109.535 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.0 mtmt -63.25 -39.95 96.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.524 -0.735 . . . . 0.0 110.56 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -98.47 4.29 48.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.124 -0.985 . . . . 0.0 110.869 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -140.17 157.3 45.82 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.941 -1.1 . . . . 0.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.8 123.65 46.47 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.8 tttp -96.35 150.6 20.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.832 -1.167 . . . . 0.0 108.75 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' LYS . 29.8 ttmt -38.39 -27.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.513 0.673 . . . . 0.0 109.961 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -79.91 -49.97 11.14 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.1 mt-10 -64.67 -38.21 90.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.0 -42.37 94.13 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.553 -0.717 . . . . 0.0 109.651 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.92 -39.99 91.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.178 -0.951 . . . . 0.0 110.206 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 49.6 mt-10 -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 109.116 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.4 tm? -59.99 -49.89 75.9 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 108.264 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.91 -48.29 45.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 112.323 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.4 t-20 -71.2 -40.66 71.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.028 -1.045 . . . . 0.0 113.322 -176.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.438 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 4.6 m120 -96.55 -31.62 12.67 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.121 -0.987 . . . . 0.0 113.583 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -82.01 -10.0 59.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 119.983 -1.698 . . . . 0.0 109.185 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.56 56.25 1.57 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.6 -0.687 . . . . 0.0 109.252 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -60.02 -39.93 87.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 110.196 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.17 -16.67 1.06 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.071 -1.018 . . . . 0.0 110.795 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.78 -41.35 97.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.708 -1.245 . . . . 0.0 109.244 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.28 159.99 39.27 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -58.66 111.35 1.23 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.598 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.6 149.33 48.26 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.788 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -79.96 140.01 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.095 -1.003 . . . . 0.0 108.655 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' HZ3' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -109.12 -10.76 14.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.674 -0.641 . . . . 0.0 111.642 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -139.93 141.02 36.52 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.927 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -60.19 -29.81 68.95 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.686 -0.634 . . . . 0.0 110.625 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -59.91 -38.37 82.13 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.048 -1.033 . . . . 0.0 110.408 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -59.96 -39.99 81.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.849 -1.157 . . . . 0.0 108.199 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.97 -38.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.846 -0.534 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 55.1 t0 -63.26 -38.7 92.18 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.824 0.821 . . . . 0.0 109.586 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -67.23 -40.03 86.32 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -64.69 -30.53 50.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.4 mtt -69.18 -34.37 74.83 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.42 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.23 -40.0 76.64 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.035 -1.666 . . . . 0.0 107.503 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.81 -41.06 13.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.638 -0.664 . . . . 0.0 111.031 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.0 tp -86.3 -20.25 28.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.053 -1.03 . . . . 0.0 110.585 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 57' ' ' MET . 33.8 t0 -82.03 65.64 7.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.48 -40.02 77.69 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.316 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.0 p-10 -82.39 -9.09 59.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.03 41.26 97.89 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 38.3 p-10 -106.34 1.98 26.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.249 -1.148 . . . . 0.0 108.868 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.06 11.97 83.85 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 48.0 mt-10 -149.69 130.71 14.37 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 9.2 p -88.69 125.61 34.93 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.556 -1.34 . . . . 0.0 108.64 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.45 160.01 33.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 110.216 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.36 -38.11 12.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.382 -0.824 . . . . 0.0 108.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.97 -39.69 75.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.41 -0.806 . . . . 0.0 110.071 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -68.33 -40.04 81.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.453 -1.405 . . . . 0.0 109.557 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.82 -33.11 74.95 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.079 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -39.8 86.39 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.41 0.624 . . . . 0.0 110.473 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.19 75.56 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.558 -1.339 . . . . 0.0 110.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.389 -0.819 . . . . 0.0 109.853 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -39.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 O-C-N 121.713 -0.617 . . . . 0.0 110.256 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -66.15 -38.65 88.63 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.996 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.3 mtp -67.69 -40.67 84.33 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.411 -0.806 . . . . 0.0 111.507 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.03 -38.89 76.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 C-N-CA 118.571 -1.251 . . . . 0.0 109.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.07 -40.01 88.01 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -53.79 -37.85 63.92 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.92 81.54 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.8 t -60.0 -38.28 82.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 109.842 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.428 ' NE2' ' HE2' ' B' ' 15' ' ' HIS . 14.9 t-80 -59.92 -39.96 87.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.899 -1.125 . . . . 0.0 108.348 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -38.57 82.8 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.09 -24.92 34.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 108.973 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.88 64.76 6.47 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -71.82 108.02 4.9 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.354 -0.841 . . . . 0.0 109.117 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -77.56 -3.9 43.01 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.775 -0.578 . . . . 0.0 109.691 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.266 -0.896 . . . . 0.0 . -179.702 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 60.09 28.03 17.53 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.453 -0.779 . . . . 0.0 109.832 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -75.78 -9.51 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.706 0.765 . . . . 0.0 109.007 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -46.36 -19.75 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.566 -0.709 . . . . 0.0 110.643 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 2' ' ' GLU . 96.6 mt-10 -69.93 -40.15 75.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.625 -1.297 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -32.48 36.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 110.024 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -39.91 76.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.317 -0.865 . . . . 0.0 110.708 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.3 mtt -68.35 -39.95 81.7 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.99 -1.069 . . . . 0.0 110.01 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.2 -39.87 86.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 119.142 -1.023 . . . . 0.0 109.833 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.74 74.58 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.494 -0.754 . . . . 0.0 110.862 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.09 88.1 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.405 HD13 HG23 ' B' ' 11' ' ' ILE . 81.2 mt -69.79 -37.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.32 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.06 -46.12 90.62 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.935 -1.103 . . . . 0.0 110.987 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -39.92 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.041 -1.037 . . . . 0.0 108.813 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.11 -40.02 76.21 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.428 ' HE2' ' NE2' ' A' ' 85' ' ' HIS . 30.9 m170 -69.99 -23.92 63.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.11 -0.994 . . . . 0.0 110.337 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.99 -44.15 94.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.652 -1.28 . . . . 0.0 109.88 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -91.44 -35.14 14.52 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.893 -1.129 . . . . 0.0 111.804 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.02 -39.62 86.48 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.068 -1.02 . . . . 0.0 109.81 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -9.19 86.89 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.49 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 33.3 ttt-85 -60.02 -46.43 89.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.116 -1.226 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.92 171.02 7.91 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.524 0.678 . . . . 0.0 109.618 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.73 -29.59 26.19 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.493 -0.754 . . . . 0.0 111.45 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD2' ' OE2' ' B' ' 31' ' ' GLU . 64.8 m-20 -69.92 68.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.614 -1.521 . . . . 0.0 109.506 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' B' ' 22' ' ' GLY . 50.8 mtmt -63.41 -39.93 95.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.455 -0.778 . . . . 0.0 110.5 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -98.35 3.62 48.58 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.19 -0.944 . . . . 0.0 110.902 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.95 157.2 46.07 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.033 -1.042 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.47 123.55 46.62 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.9 tttp -96.61 150.47 20.62 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.85 -1.157 . . . . 0.0 108.698 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.2 ttmt -38.2 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.5 0.667 . . . . 0.0 109.997 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.503 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.5 t -79.41 -50.0 11.48 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 28' ' ' LYS . 36.0 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.508 -0.745 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -61.1 -39.95 91.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -0.935 . . . . 0.0 110.188 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.49 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 49.8 mt-10 -63.13 -39.92 96.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.378 -0.826 . . . . 0.0 109.179 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.4 tm? -60.12 -49.84 76.06 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.758 -1.214 . . . . 0.0 108.243 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.426 HD12 HG23 ' B' ' 36' ' ' ILE . 76.1 mt -72.79 -48.31 46.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.625 -0.672 . . . . 0.0 112.395 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.432 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.5 t-20 -71.46 -40.52 70.25 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.012 -1.055 . . . . 0.0 113.309 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.432 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 4.8 m120 -96.62 -31.44 12.72 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.972 -1.08 . . . . 0.0 113.543 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.18 -9.91 59.34 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 119.959 -1.713 . . . . 0.0 109.174 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 36.3 mt -127.7 56.37 1.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.248 -0.907 . . . . 0.0 110.126 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.09 -16.58 1.08 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.178 -0.951 . . . . 0.0 110.866 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.92 -41.0 97.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.735 -1.228 . . . . 0.0 109.225 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -134.56 160.07 39.21 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -58.8 111.34 1.25 Allowed 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.662 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.59 149.02 48.61 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.2 mt -79.61 140.12 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.105 -0.997 . . . . 0.0 108.746 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.655 ' HZ3' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -109.32 -10.49 14.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 111.568 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -139.93 140.78 36.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.858 -1.151 . . . . 0.0 110.041 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.02 -29.76 68.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.775 -0.578 . . . . 0.0 110.585 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -59.94 -38.42 82.37 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.993 -1.067 . . . . 0.0 110.387 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.11 -39.8 81.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.831 -1.168 . . . . 0.0 108.255 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -38.33 81.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.809 -0.557 . . . . 0.0 109.814 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 54.8 t0 -63.3 -38.78 92.48 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.786 0.803 . . . . 0.0 109.567 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -67.23 -39.95 86.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.77 -30.6 50.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.566 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.4 mtt -68.87 -34.72 75.9 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.337 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.15 -40.07 76.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.935 -1.728 . . . . 0.0 107.546 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.68 -40.95 13.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.637 -0.665 . . . . 0.0 111.034 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -86.17 -20.29 28.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.518 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' B' ' 57' ' ' MET . 33.6 t0 -82.01 65.31 7.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.05 -40.09 76.15 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.345 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.0 p-10 -82.56 -9.0 59.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.082 -1.011 . . . . 0.0 109.204 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.75 41.33 97.49 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 37.9 p-10 -106.21 2.05 26.56 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.129 -1.218 . . . . 0.0 108.736 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.482 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.95 12.43 83.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 50.1 mt-10 -150.02 130.02 13.47 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 10.7 p -88.18 125.58 34.69 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.426 -1.421 . . . . 0.0 108.713 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.19 159.97 33.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 110.197 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -37.93 13.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.821 . . . . 0.0 108.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.98 -39.73 75.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.32 -0.862 . . . . 0.0 110.08 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.41 -40.03 81.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.39 -1.444 . . . . 0.0 109.376 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -32.98 74.63 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 109.058 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -39.78 86.74 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.719 -0.613 . . . . 0.0 110.568 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.0 75.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 120.617 -1.302 . . . . 0.0 110.344 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -39.9 87.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.407 -0.808 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -39.15 79.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 O-C-N 121.731 -0.606 . . . . 0.0 110.25 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -65.96 -39.01 90.02 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.948 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.7 mtp -67.59 -40.99 84.78 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 111.538 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.03 -38.86 76.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.352 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.3 m -60.05 -40.04 88.04 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -53.96 -37.66 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.97 -38.34 82.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.493 -0.755 . . . . 0.0 110.064 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.85 -1.156 . . . . 0.0 108.354 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -82.08 -24.87 34.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 108.949 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -89.89 64.76 6.46 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.8 108.26 5.01 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.862 0.839 . . . . 0.0 109.046 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -77.78 -4.16 45.03 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.709 -0.619 . . . . 0.0 109.722 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.37 -0.831 . . . . 0.0 . -179.56 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . 0.714 ' HD1' ' H ' ' X' ' 93' ' ' HIS . 2.0 p-80 -139.78 158.72 43.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.434 -0.791 . . . . 0.0 108.914 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 tp -90.03 -83.52 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 0.0 109.179 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -153.37 -92.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.283 -0.886 . . . . 0.0 109.799 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 93.2 p -67.01 -39.43 87.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.656 -0.653 . . . . 0.0 110.001 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -119.34 134.87 54.99 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.619 0.723 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -100.86 0.0 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.453 -0.779 . . . . 0.0 109.192 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.54 -172.87 12.72 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -138.35 155.56 48.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.34 -1.094 . . . . 0.0 109.428 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 52.5 m -60.12 -24.87 65.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.063 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.596 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 69.5 p -46.56 -25.02 0.61 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.419 -0.801 . . . . 0.0 109.178 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -46.39 -24.72 0.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.279 -0.888 . . . . 0.0 108.993 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.495 HH11 ' HZ3' ' A' ' 48' ' ' LYS . 97.0 mtt180 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.452 -0.78 . . . . 0.0 109.363 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' X' ' 102' ' ' THR . 6.0 p-80 -59.79 -32.06 70.27 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.908 -1.12 . . . . 0.0 108.751 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.543 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.8 tttt -59.96 -31.85 70.27 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 25.9 ttpp -59.69 -40.08 86.7 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.82 -33.78 75.95 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.586 -0.696 . . . . 0.0 110.289 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -62.37 -24.46 67.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.634 -1.291 . . . . 0.0 110.117 -179.519 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.04 -35.62 5.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.981 -1.074 . . . . 0.0 109.93 -178.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.609 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.29 -35.12 41.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.844 -1.16 . . . . 0.0 108.815 178.608 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' X' ' 109' ' ' MET . 67.7 p -58.58 -32.11 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.552 -0.717 . . . . 0.0 . 179.091 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.689 ' HD1' ' H ' ' Y' ' 93' ' ' HIS . 1.9 p-80 -139.97 158.72 43.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.351 -0.843 . . . . 0.0 108.896 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 53.0 tp -89.99 -83.16 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.967 . . . . 0.0 109.302 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -153.81 -92.48 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.383 -0.823 . . . . 0.0 109.748 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 97.6 p -67.01 -39.4 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.684 -0.635 . . . . 0.0 110.014 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -119.4 134.83 55.02 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.485 -0.759 . . . . 0.0 109.716 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -100.76 0.07 38.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.398 -0.814 . . . . 0.0 109.108 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.45 -172.76 12.68 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -138.38 155.52 48.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.286 -1.126 . . . . 0.0 109.414 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 55.5 m -60.01 -24.96 64.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 108.992 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.593 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 66.1 p -46.46 -24.95 0.58 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.2 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' Y' ' 102' ' ' THR . 55.2 m -46.46 -24.81 0.56 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.655 HH11 ' HZ3' ' B' ' 48' ' ' LYS . 97.3 mtt180 -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.414 -0.804 . . . . 0.0 109.385 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' Y' ' 102' ' ' THR . 5.9 p-80 -59.83 -31.88 70.14 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.964 -1.085 . . . . 0.0 108.789 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.555 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.1 tttt -59.98 -31.86 70.3 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 26.2 ttpp -59.84 -40.0 87.04 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.86 -33.48 75.36 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.548 0.69 . . . . 0.0 110.364 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.512 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -62.48 -24.4 67.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.578 -1.327 . . . . 0.0 110.094 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.05 -35.97 5.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.943 -1.098 . . . . 0.0 109.818 -178.537 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.607 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -78.98 -34.29 44.36 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.84 -1.163 . . . . 0.0 109.016 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -30.93 69.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.556 -0.715 . . . . 0.0 . 179.134 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' HG ' ' A' ' 1' ' ' SER . 98.6 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.297 0.57 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.477 ' HG ' ' C ' ' A' ' 0' ' ' MET . 94.9 p 48.41 16.53 0.1 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.262 -0.899 . . . . 0.0 109.887 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -73.28 -10.04 59.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.347 -0.846 . . . . 0.0 109.148 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 tp -43.05 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.594 -0.691 . . . . 0.0 110.238 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 2' ' ' GLU . 21.3 pt-20 -69.97 -36.58 75.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.92 -1.112 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -75.15 -31.69 61.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.742 -1.224 . . . . 0.0 109.219 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.87 -41.16 75.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 110.761 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -62.44 -40.37 96.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.056 . . . . 0.0 109.688 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.21 -37.99 80.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.563 0.697 . . . . 0.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.35 93.89 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.718 -0.614 . . . . 0.0 111.331 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.774 -1.204 . . . . 0.0 108.347 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.24 -39.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 O-C-N 121.548 -0.72 . . . . 0.0 110.943 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.58 -40.28 96.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.501 -1.374 . . . . 0.0 111.581 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -39.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.115 -0.991 . . . . 0.0 110.111 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.63 -39.95 86.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.984 -1.072 . . . . 0.0 108.959 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 108.842 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 2.6 tm0? -59.99 -41.85 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.612 -0.68 . . . . 0.0 110.828 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 61.5 m-85 -99.16 -24.53 14.84 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.009 -1.057 . . . . 0.0 112.039 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.923 -1.111 . . . . 0.0 109.472 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.11 -7.86 84.73 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -59.99 -47.84 84.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.058 -1.26 . . . . 0.0 109.152 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -115.13 156.08 25.91 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.97 -20.71 0.76 Allowed Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 8.5 m-20 -74.84 62.29 1.08 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.757 -1.437 . . . . 0.0 110.081 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 109.026 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.08 -20.21 56.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.746 -0.596 . . . . 0.0 111.893 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -149.44 161.76 41.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.553 -1.342 . . . . 0.0 110.737 -178.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.95 141.22 39.92 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.636 -0.665 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' SER . 8.0 mtpm? -107.3 152.32 24.29 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' LYS . 31.7 ttmt -40.97 -27.6 0.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.39 -0.819 . . . . 0.0 109.74 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LYS . 74.7 m -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 63.3 tt0 -70.03 -33.56 72.14 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.91 -40.97 95.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.593 -0.692 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 88.5 tttt -60.72 -39.9 90.3 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.602 -0.686 . . . . 0.0 110.142 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.48 -40.04 96.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.875 . . . . 0.0 109.047 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 7.4 tt -62.53 -49.98 73.17 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.007 -1.058 . . . . 0.0 108.981 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.81 -44.16 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.174 -0.953 . . . . 0.0 111.874 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 2.0 m-80 -68.54 -40.04 80.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.886 -1.134 . . . . 0.0 112.184 -176.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -98.56 -36.03 10.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.424 -0.797 . . . . 0.0 112.73 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 22.9 tt0 -70.01 -26.96 64.31 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.424 -1.423 . . . . 0.0 108.745 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.58 51.66 1.7 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.976 -1.078 . . . . 0.0 110.082 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -129.11 -18.6 3.68 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.367 -0.833 . . . . 0.0 109.879 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -64.91 -39.28 93.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.521 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.1 tp -127.8 -145.06 0.3 Allowed 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.216 -0.928 . . . . 0.0 109.395 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.7 tt0 -92.75 107.22 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.43 140.03 58.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -92.45 132.1 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 108.946 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -105.0 -26.12 12.28 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.85 140.02 52.36 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.573 0.701 . . . . 0.0 110.314 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -65.44 -21.04 66.61 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.2 pt-20 -60.08 -39.52 86.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.316 -0.865 . . . . 0.0 110.326 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 79.0 t -60.05 -39.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.996 -1.065 . . . . 0.0 108.155 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.96 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.23 -39.97 88.58 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.05 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.06 -39.96 86.98 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 122.238 1.018 . . . . 0.0 108.667 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.1 -28.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 mtt -69.74 -28.9 66.18 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.759 -0.777 . . . . 0.0 108.975 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.96 -39.94 87.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -84.85 -39.57 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.739 -0.601 . . . . 0.0 111.105 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.15 -18.05 29.62 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.796 -1.19 . . . . 0.0 110.819 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.1 t0 -80.08 63.05 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.74 -36.53 76.79 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.745 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.5 -11.1 59.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.54 30.92 75.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.4 p-10 -107.82 6.16 27.19 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.072 -1.252 . . . . 0.0 109.973 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.72 10.63 86.02 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -140.25 143.0 35.73 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 4.9 p -108.92 126.6 53.25 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.061 -1.025 . . . . 0.0 108.623 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.2 t0 -73.07 168.42 19.09 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.796 -0.565 . . . . 0.0 109.639 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.555 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.5 t80 -54.26 -40.28 67.64 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 108.945 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.09 -39.66 86.8 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.03 -40.21 94.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.881 -1.137 . . . . 0.0 110.405 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.79 -36.63 82.85 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mmm -59.97 -39.1 84.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.296 0.569 . . . . 0.0 111.448 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.32 -35.2 77.44 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.549 -1.345 . . . . 0.0 110.764 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.1 -35.83 76.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.114 -0.991 . . . . 0.0 109.401 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.9 t -60.2 -39.98 82.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.974 0 O-C-N 121.634 -0.666 . . . . 0.0 109.759 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.454 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 42.4 m -60.9 -40.09 91.8 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.945 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 mtm -74.61 -42.01 59.39 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 118.799 -1.16 . . . . 0.0 111.525 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.25 -39.95 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.686 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.98 -39.47 85.8 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -54.38 -39.33 67.1 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.77 -33.72 72.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.675 -0.64 . . . . 0.0 109.63 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -59.94 -40.68 89.76 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 108.715 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -40.17 96.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.91 -39.51 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.615 0.721 . . . . 0.0 109.103 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.58 62.17 3.79 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.99 105.6 3.94 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.882 0.849 . . . . 0.0 109.656 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.33 85.47 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.058 -1.026 . . . . 0.0 . -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.442 ' O ' ' N ' ' B' ' 2' ' ' GLU . 98.2 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.302 0.572 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 0' ' ' MET . 96.8 p 48.4 16.32 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.959 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -73.45 -9.49 58.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 109.169 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 tp -43.66 -21.98 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.489 -0.757 . . . . 0.0 110.246 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 2' ' ' GLU . 20.8 pt-20 -70.22 -36.53 74.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.877 -1.14 . . . . 0.0 110.888 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.77 -1.206 . . . . 0.0 109.207 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -41.16 75.84 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.823 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -62.29 -40.31 95.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.06 . . . . 0.0 109.975 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -37.76 79.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-O 121.469 0.652 . . . . 0.0 109.414 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.96 92.81 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.705 -0.622 . . . . 0.0 111.372 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.0 -39.89 87.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.723 -1.235 . . . . 0.0 108.261 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.404 HG22 HD12 ' B' ' 11' ' ' ILE . 82.6 mt -68.22 -39.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.577 -0.702 . . . . 0.0 110.85 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.27 -40.54 97.7 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.547 -1.346 . . . . 0.0 111.592 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -39.03 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.193 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -59.78 -39.97 86.7 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 108.991 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.3 -24.52 67.68 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.088 -1.008 . . . . 0.0 108.824 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.482 ' OE1' ' CE1' ' B' ' 17' ' ' TYR . 2.8 tm0? -60.02 -41.79 92.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.512 -0.742 . . . . 0.0 110.78 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.482 ' CE1' ' OE1' ' B' ' 16' ' ' GLN . 61.3 m-85 -99.18 -24.49 14.84 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.91 -1.119 . . . . 0.0 112.03 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.986 -1.071 . . . . 0.0 109.452 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.59 85.62 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' B' ' 20' ' ' ARG . 39.9 ttt-85 -60.03 -47.69 84.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.259 . . . . 0.0 109.177 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.97 155.74 26.37 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.1 -20.14 0.73 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 8.5 m-20 -75.19 62.47 1.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.834 -1.392 . . . . 0.0 109.924 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -61.2 -39.97 92.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -0.884 . . . . 0.0 109.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -77.31 -20.25 55.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.73 -0.606 . . . . 0.0 111.894 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.511 ' CB ' ' HZ2' ' B' ' 26' ' ' LYS . 0.6 OUTLIER -149.15 161.67 41.52 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.533 -1.354 . . . . 0.0 110.772 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.96 140.88 40.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.717 -0.615 . . . . 0.0 110.488 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.9 mtpm? -107.3 152.1 24.59 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.7 ttmt -40.59 -27.51 0.05 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.383 -0.823 . . . . 0.0 109.821 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -79.7 -48.79 13.09 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.677 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 63.5 tt0 -70.01 -33.85 72.54 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.66 -41.42 95.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 109.537 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.524 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 88.6 tttt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.184 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.54 -39.95 95.74 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.302 -0.874 . . . . 0.0 109.116 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.1 tt -62.59 -50.04 72.87 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 108.982 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.77 -44.29 76.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.204 -0.935 . . . . 0.0 111.953 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' B' ' 33' ' ' LYS . 2.2 m-80 -68.52 -39.97 80.98 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.962 -1.086 . . . . 0.0 112.158 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -98.63 -36.04 10.0 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 112.733 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 22.8 tt0 -69.98 -27.03 64.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.404 -1.435 . . . . 0.0 108.722 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -125.7 51.68 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -60.07 -40.82 90.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.011 -1.056 . . . . 0.0 110.068 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -129.5 -18.49 3.55 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.388 -0.82 . . . . 0.0 109.981 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -39.07 91.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.491 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.493 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.1 tp -127.75 -145.02 0.3 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.395 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -92.83 107.09 18.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.892 . . . . 0.0 109.155 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.47 140.01 58.0 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -92.51 132.16 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 108.946 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -105.03 -25.96 12.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.363 -0.836 . . . . 0.0 109.095 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -121.04 139.88 52.7 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.568 0.699 . . . . 0.0 110.291 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -65.43 -21.13 66.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.02 -39.61 86.47 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 0.0 110.364 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.94 -40.05 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.87 -39.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.41 -39.96 89.27 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.791 0.805 . . . . 0.0 110.166 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.306 1.05 . . . . 0.0 108.605 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.7 t -67.21 -28.26 41.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.556 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.1 mtt -69.87 -28.86 66.0 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.666 -0.814 . . . . 0.0 108.941 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -84.66 -39.6 18.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.779 -0.576 . . . . 0.0 111.117 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.14 -17.98 29.79 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.778 -1.201 . . . . 0.0 110.881 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.0 t0 -80.33 63.32 4.76 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -59.95 -36.5 77.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.764 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.0 m-20 -79.58 -10.97 59.89 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.45 76.91 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -108.27 6.52 26.66 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.141 -1.211 . . . . 0.0 109.961 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.526 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.55 10.49 86.15 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -140.36 142.92 35.51 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 4.9 p -108.84 126.61 53.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.013 -1.055 . . . . 0.0 108.462 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 53.3 t0 -73.22 168.4 19.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.785 -0.572 . . . . 0.0 109.58 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.561 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.5 t80 -54.1 -40.33 67.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.222 -0.924 . . . . 0.0 108.984 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.35 -39.09 85.72 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.032 -1.042 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.407 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 42.0 mt-10 -62.31 -40.16 95.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.8 -1.187 . . . . 0.0 110.459 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.01 -36.54 82.36 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 108.94 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -60.01 -39.06 84.51 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.22 0.533 . . . . 0.0 111.424 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.74 -34.75 76.14 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.562 -1.336 . . . . 0.0 110.764 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.07 -36.07 76.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.104 -0.997 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.8 t -59.98 -40.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 121.526 -0.734 . . . . 0.0 109.633 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.454 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 39.3 m -60.83 -40.13 91.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 111.034 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mtm -74.61 -42.18 59.1 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.453 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.09 -39.79 85.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.129 -0.982 . . . . 0.0 109.631 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.3 m -60.07 -39.62 86.69 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.53 -39.53 67.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.45 85.8 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' B' ' 88' ' ' PHE . 11.5 t -60.0 -33.69 72.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.682 -0.636 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.03 -40.54 89.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 108.713 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.62 -40.44 96.9 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -70.84 -38.98 73.24 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.609 0.719 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.4 OUTLIER -79.94 62.05 4.03 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -71.65 105.55 3.73 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.813 0.816 . . . . 0.0 109.538 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -72.41 85.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.074 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.284 0.564 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -151.64 175.22 12.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.603 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.33 174.56 8.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.417 -0.802 . . . . 0.0 109.038 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -59.98 -38.42 82.52 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.349 -0.844 . . . . 0.0 109.173 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -133.63 146.52 50.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.328 -0.858 . . . . 0.0 109.104 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -65.05 -19.58 66.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 109.117 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -53.25 127.67 25.36 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.68 28.91 0.14 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.21 149.51 42.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.809 -0.818 . . . . 0.0 110.346 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -58.41 -26.06 62.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.584 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 25.5 p -45.88 -25.28 0.5 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.599 -0.688 . . . . 0.0 109.566 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 61.5 m -49.79 -25.43 3.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.809 -1.182 . . . . 0.0 108.669 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' X' ' 104' ' ' ARG . 51.5 mtt-85 -60.03 -39.88 87.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.581 -0.7 . . . . 0.0 109.914 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.584 ' ND1' ' O ' ' X' ' 102' ' ' THR . 5.7 p-80 -59.43 -34.98 73.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.666 -1.271 . . . . 0.0 108.94 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.557 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 45.7 mtpt -60.03 -28.75 68.0 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 83.9 tttt -57.97 -39.95 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.02 -28.59 62.45 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.708 -0.62 . . . . 0.0 110.208 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.56 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -55.29 -24.78 30.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.37 -1.457 . . . . 0.0 109.304 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.556 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -53.92 -27.36 30.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.538 -1.351 . . . . 0.0 109.304 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.556 ' NZ ' ' CZ ' ' X' ' 110' ' ' PHE . 0.2 OUTLIER -69.99 -39.89 75.64 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.636 -1.29 . . . . 0.0 107.948 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' X' ' 109' ' ' MET . 48.5 p -59.94 -34.59 73.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . 0.4 ' N ' ' HG1' ' X' ' 112' ' ' THR . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.364 -0.835 . . . . 0.0 . 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.306 0.574 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -151.65 175.37 12.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.238 -0.914 . . . . 0.0 109.621 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.17 174.65 8.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.399 -0.813 . . . . 0.0 109.12 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.07 -38.4 82.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.328 -0.858 . . . . 0.0 109.155 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -134.09 146.33 50.18 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.323 -0.861 . . . . 0.0 109.072 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.69 -19.59 65.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -53.35 127.41 24.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.1 29.04 0.13 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 107.769 -2.132 . . . . 0.0 107.769 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.24 149.19 43.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.787 -0.831 . . . . 0.0 110.45 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 54.2 m -58.25 -25.91 62.28 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.59 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 25.4 p -45.98 -24.99 0.48 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.587 -0.695 . . . . 0.0 109.636 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 68.6 m -49.93 -25.62 3.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.784 -1.198 . . . . 0.0 108.64 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 52.0 mtt-85 -60.0 -39.98 87.64 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.659 -0.65 . . . . 0.0 109.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.59 ' ND1' ' O ' ' Y' ' 102' ' ' THR . 5.8 p-80 -59.28 -35.13 73.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.702 -1.249 . . . . 0.0 108.989 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.0 mtpt -60.0 -28.59 67.84 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 83.8 tttt -57.9 -39.79 78.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.43 -28.29 61.9 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.647 -0.658 . . . . 0.0 110.108 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -55.44 -24.71 32.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.424 -1.422 . . . . 0.0 109.252 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.579 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -53.98 -27.41 31.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.521 -1.362 . . . . 0.0 109.388 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.579 ' NZ ' ' CZ ' ' Y' ' 110' ' ' PHE . 0.2 OUTLIER -70.04 -39.94 75.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.742 -1.224 . . . . 0.0 107.927 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 44.8 p -59.99 -33.94 72.64 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.524 -0.87 . . . . 0.0 108.961 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.349 -0.844 . . . . 0.0 . 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.6 m 56.85 30.55 18.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 0.0 109.348 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -74.8 5.48 4.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.318 -0.864 . . . . 0.0 108.869 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 1' ' ' SER . 32.7 tp -47.5 -21.01 0.28 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.669 -0.645 . . . . 0.0 109.936 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 109.5 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.47 -39.69 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 0.0 110.086 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.18 87.99 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 111.381 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.8 mtt -63.85 -39.95 95.41 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.967 -1.083 . . . . 0.0 109.596 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.94 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.67 -0.644 . . . . 0.0 109.856 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.62 -35.05 78.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.583 -0.698 . . . . 0.0 111.306 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -40.02 87.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.619 -1.3 . . . . 0.0 107.728 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.3 mt -69.59 -39.98 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.852 -0.53 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.89 -45.17 95.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.697 -1.252 . . . . 0.0 111.844 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -39.87 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.855 -1.153 . . . . 0.0 109.751 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 22.0 t80 -59.14 -39.94 83.94 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.014 -1.054 . . . . 0.0 109.379 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.73 -31.17 72.27 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.147 -0.97 . . . . 0.0 110.001 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' OE1' ' SD ' ' B' ' 0' ' ' MET . 71.9 tp60 -60.01 -41.34 91.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 110.683 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -91.96 -35.75 13.81 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.835 -1.166 . . . . 0.0 112.672 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.543 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 65.7 m -59.99 -40.38 88.95 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.89 -1.131 . . . . 0.0 110.555 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.23 -13.75 73.25 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.34 -46.41 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.075 -1.25 . . . . 0.0 110.474 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.99 -77.54 0.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.066 -1.021 . . . . 0.0 110.401 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 -29.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.275 -1.441 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -81.84 95.79 7.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.805 -1.409 . . . . 0.0 108.712 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.99 -40.01 75.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.91 . . . . 0.0 111.246 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.59 5.53 45.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.03 -1.044 . . . . 0.0 111.525 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' HZ1' ' CD ' ' A' ' 67' ' ' GLU . 31.8 ttpt -146.64 149.33 33.3 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.681 -1.262 . . . . 0.0 110.526 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 mt -117.44 137.69 52.34 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.721 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' SER . 8.3 mtmp? -102.04 155.5 18.14 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 pttm -49.99 -22.63 1.64 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 28' ' ' LYS . 69.9 m -75.74 -50.74 14.4 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.438 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.68 -35.74 80.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.721 -0.612 . . . . 0.0 109.61 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.96 -40.01 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.668 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.98 -35.95 79.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 108.876 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.6 tm? -60.74 -49.98 75.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.74 -1.225 . . . . 0.0 108.438 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.5 mt -73.99 -48.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 111.798 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 113.055 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.7 -35.76 10.46 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.145 -0.972 . . . . 0.0 113.183 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -80.0 -10.36 59.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.112 -1.617 . . . . 0.0 109.11 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.48 54.77 1.93 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.454 -0.779 . . . . 0.0 109.09 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -61.75 -39.99 93.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 110.436 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -131.49 -19.9 2.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.266 -0.896 . . . . 0.0 110.169 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.95 -40.03 94.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.994 -1.067 . . . . 0.0 109.825 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' HG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -130.93 167.06 19.62 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.259 -0.901 . . . . 0.0 108.836 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -52.62 106.04 0.14 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.16 140.03 58.17 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -82.26 138.06 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.95 -17.62 13.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.689 -0.632 . . . . 0.0 110.074 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -136.01 142.48 44.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.308 -0.87 . . . . 0.0 109.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -20.33 66.29 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.95 -38.88 83.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.617 -0.677 . . . . 0.0 109.844 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.0 -39.21 79.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.44 -31.78 54.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.981 -0.449 . . . . 0.0 109.832 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.29 81.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -70.13 -39.98 75.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.249 1.023 . . . . 0.0 108.643 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.1 -31.32 53.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.627 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -36.91 84.23 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.369 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 119.882 -1.761 . . . . 0.0 107.253 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -77.94 -44.99 25.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.581 -0.699 . . . . 0.0 111.444 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 24.2 mt -90.0 -14.99 32.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.836 -1.165 . . . . 0.0 111.245 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.6 t0 -80.84 61.09 4.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 72.9 m-20 -74.2 -11.11 60.2 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.26 29.93 72.63 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 8.0 p30 -106.8 3.84 26.9 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.238 -1.154 . . . . 0.0 109.686 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 81.06 2.25 90.37 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' CD ' ' HZ1' ' A' ' 26' ' ' LYS . 14.7 pt-20 -137.48 136.65 37.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.578 -0.954 . . . . 0.0 108.667 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.52 136.23 43.64 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.8 t0 -78.15 170.01 17.32 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.243 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.9 t80 -51.18 -39.96 57.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -61.3 -50.44 72.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.812 . . . . 0.0 111.026 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 81.7 mt-10 -61.42 -40.03 92.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -1.0 . . . . 0.0 110.417 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.97 -37.36 87.14 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.348 -0.845 . . . . 0.0 109.639 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 82.5 mmm -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.464 0.65 . . . . 0.0 110.48 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.27 79.59 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.01 -1.057 . . . . 0.0 110.957 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.02 -35.43 75.07 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.268 -0.895 . . . . 0.0 109.967 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.1 t -66.2 -37.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.407 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 4.0 m -65.19 -39.96 93.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.07 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 30.1 mtp -71.36 -42.48 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.089 -1.044 . . . . 0.0 111.095 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.05 -39.65 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.3 m -60.05 -39.11 84.83 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.32 -38.99 60.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.91 83.89 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.6 m -60.0 -36.75 77.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.782 -1.199 . . . . 0.0 109.408 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.89 -33.52 76.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.064 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.07 -30.03 21.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.363 -0.836 . . . . 0.0 109.672 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.592 ' CD1' ' CE1' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -94.55 65.17 3.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 108.633 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -75.11 105.67 6.24 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 108.759 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.592 ' CE1' ' CD1' ' A' ' 88' ' ' PHE . 70.3 m80 -83.6 99.77 10.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 . -179.752 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 16' ' ' GLN . 15.1 mmt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.239 0.542 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.1 m 57.03 30.28 17.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -74.67 5.29 5.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 108.926 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' B' ' 1' ' ' SER . 31.0 tp -46.95 -21.35 0.21 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.663 -0.648 . . . . 0.0 109.917 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.92 -40.03 75.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.987 -1.071 . . . . 0.0 109.615 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.428 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -73.6 -39.63 64.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.517 -0.739 . . . . 0.0 110.104 -179.385 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.25 -43.19 87.26 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.303 -0.873 . . . . 0.0 111.276 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -63.72 -40.01 95.7 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.941 -1.099 . . . . 0.0 109.562 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.8 -37.76 81.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.694 -0.629 . . . . 0.0 109.834 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.91 77.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.597 -0.69 . . . . 0.0 111.381 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.41 -1.316 . . . . 0.0 107.665 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.53 -40.0 79.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.923 -0.485 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.87 -45.2 95.49 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.738 -1.226 . . . . 0.0 111.856 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -39.64 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.829 -1.169 . . . . 0.0 109.751 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.547 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 22.1 t80 -59.22 -39.97 84.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.109 -0.995 . . . . 0.0 109.326 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.195 -0.941 . . . . 0.0 110.037 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -41.42 91.83 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -91.85 -35.84 13.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.842 -1.161 . . . . 0.0 112.723 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.547 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 61.5 m -60.04 -40.11 88.27 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.792 -1.192 . . . . 0.0 110.541 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.14 -14.18 72.5 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.19 -46.19 90.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.06 -1.259 . . . . 0.0 110.598 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.03 -78.04 0.38 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.092 -1.005 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.98 -30.48 0.02 OUTLIER Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.737 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -81.57 95.95 7.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.749 -1.442 . . . . 0.0 108.754 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.368 -0.833 . . . . 0.0 111.265 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -99.69 5.34 45.78 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.027 -1.046 . . . . 0.0 111.459 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -146.64 149.31 33.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.476 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 mt -117.38 137.7 52.3 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.727 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 8.4 mtmp? -102.0 155.65 18.04 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.04 -22.57 1.66 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.8 m -75.79 -50.66 14.57 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.501 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.77 -35.76 80.85 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.697 -0.627 . . . . 0.0 109.515 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.186 -0.946 . . . . 0.0 109.682 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.09 -35.62 78.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 108.928 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.93 -49.95 75.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.751 -1.218 . . . . 0.0 108.351 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -74.07 -48.47 37.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.521 -0.737 . . . . 0.0 111.863 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -67.77 -40.0 84.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.089 -1.007 . . . . 0.0 113.018 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -97.69 -35.84 10.44 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.113 -0.992 . . . . 0.0 113.177 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -80.0 -10.37 59.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.087 -1.633 . . . . 0.0 109.136 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.44 54.89 1.92 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 0.0 109.084 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -61.79 -40.01 93.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.97 . . . . 0.0 110.427 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -131.59 -19.68 2.67 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.337 -0.852 . . . . 0.0 110.139 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -64.94 -40.02 94.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.816 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' B' ' 45' ' ' GLU . 3.9 tp -131.02 166.89 20.02 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.308 -0.87 . . . . 0.0 108.811 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.45 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 86.5 tt0 -52.54 106.13 0.14 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.295 -0.878 . . . . 0.0 109.431 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.97 140.03 58.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mm -82.33 138.25 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.061 -1.024 . . . . 0.0 109.241 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -17.8 13.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.658 -0.651 . . . . 0.0 110.084 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -135.95 142.52 44.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.317 -0.864 . . . . 0.0 109.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.27 66.25 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -59.93 -38.95 83.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.544 -0.722 . . . . 0.0 109.827 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.05 -39.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.36 -31.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.807 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.07 80.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -70.19 -40.01 74.87 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.374 1.083 . . . . 0.0 108.462 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.19 -31.19 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.65 -36.86 84.21 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.26 -40.02 73.54 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 119.914 -1.742 . . . . 0.0 107.274 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.3 m -77.96 -45.04 25.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.638 -0.664 . . . . 0.0 111.408 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 23.9 mt -89.96 -14.96 32.96 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.137 . . . . 0.0 111.288 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.5 t0 -80.83 60.98 4.29 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -59.94 -39.59 86.08 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 73.0 m-20 -74.33 -11.04 60.15 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.16 30.01 72.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 8.5 p30 -106.8 3.94 27.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.223 -1.163 . . . . 0.0 109.713 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 81.01 2.03 90.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -137.32 136.64 38.16 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.6 -0.941 . . . . 0.0 108.723 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.6 136.16 43.83 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 50.3 t0 -77.82 170.11 17.14 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.582 -0.699 . . . . 0.0 109.29 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.8 t80 -51.39 -40.01 58.38 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -61.22 -50.4 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 111.086 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 81.7 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 110.475 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.04 -37.43 87.42 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.327 -0.858 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.4 mmm -59.99 -37.38 79.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.598 -0.689 . . . . 0.0 110.47 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.54 80.38 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 120.984 -1.073 . . . . 0.0 110.963 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.05 -35.63 75.56 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.275 -0.89 . . . . 0.0 109.939 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -37.13 79.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.305 0 O-C-N 121.876 -0.515 . . . . 0.0 110.34 -178.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.407 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 4.3 m -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.071 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.7 mtp -71.33 -42.39 68.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.087 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.13 -39.59 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.216 -0.927 . . . . 0.0 110.117 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -60.04 -39.28 85.38 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -52.13 -39.2 59.56 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.75 83.52 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.0 m -60.04 -36.79 78.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.94 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.78 -1.2 . . . . 0.0 109.351 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.87 -33.18 75.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 0.0 109.111 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -87.28 -30.21 21.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.557 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.577 ' CD1' ' CE1' ' B' ' 90' ' ' HIS . 0.1 OUTLIER -94.46 65.23 3.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 108.657 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -75.27 105.61 6.38 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.046 . . . . 0.0 108.777 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.577 ' CE1' ' CD1' ' B' ' 88' ' ' PHE . 71.2 m80 -83.54 100.13 10.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.457 -0.777 . . . . 0.0 108.942 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.374 -0.829 . . . . 0.0 . -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.354 0.597 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -82.92 144.82 29.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.825 . . . . 0.0 109.231 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.35 136.56 46.96 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 127.96 46.82 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.269 -0.895 . . . . 0.0 109.156 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 90.1 p -66.8 -39.99 87.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 109.55 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -158.38 155.06 28.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.651 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -70.0 -38.4 75.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.233 -0.917 . . . . 0.0 109.271 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.84 167.5 12.6 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -142.25 160.81 39.5 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.232 -1.158 . . . . 0.0 110.171 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.51 ' O ' ' N ' ' X' ' 103' ' ' SER . 83.2 p -52.99 -24.71 10.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.41 ' C ' ' O ' ' X' ' 101' ' ' SER . 13.8 t -40.05 -24.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.512 0.672 . . . . 0.0 109.925 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.51 ' N ' ' O ' ' X' ' 101' ' ' SER . 78.8 p -50.01 -26.93 4.78 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 -61.84 -40.33 94.95 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.982 0.896 . . . . 0.0 108.89 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.514 ' O ' ' SD ' ' X' ' 109' ' ' MET . 2.0 m-70 -60.2 -38.45 83.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.75 -29.43 62.55 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.99 -40.07 87.9 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.134 -0.978 . . . . 0.0 108.575 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.438 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.1 mt -75.13 -24.76 58.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.951 -1.093 . . . . 0.0 109.283 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.97 -24.6 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.86 -1.775 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 1.1 p90 -45.56 -47.19 14.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.069 -1.02 . . . . 0.0 110.089 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 6.3 pttt -68.28 -35.4 77.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.378 -0.827 . . . . 0.0 110.19 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' X' ' 109' ' ' MET . 63.5 p -60.65 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.835 -1.166 . . . . 0.0 109.13 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.32 0.581 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -82.81 144.63 30.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -107.27 136.34 47.25 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.313 -0.867 . . . . 0.0 109.671 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 127.9 46.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.306 -0.871 . . . . 0.0 109.283 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -66.78 -40.0 88.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 109.537 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -158.51 155.02 27.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.218 -0.926 . . . . 0.0 109.667 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -69.97 -38.6 76.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.46 167.58 12.92 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -142.53 160.55 40.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.161 -1.199 . . . . 0.0 110.259 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.505 ' O ' ' N ' ' Y' ' 103' ' ' SER . 81.0 p -52.92 -24.76 9.94 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.406 ' C ' ' O ' ' Y' ' 101' ' ' SER . 14.1 t -40.13 -24.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.411 0.624 . . . . 0.0 109.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.505 ' N ' ' O ' ' Y' ' 101' ' ' SER . 80.0 p -50.09 -26.89 4.88 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -61.69 -40.44 95.02 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 122.044 0.926 . . . . 0.0 108.929 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.51 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 2.1 m-70 -60.16 -38.6 83.67 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.212 -0.93 . . . . 0.0 108.617 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -56.74 -29.4 62.5 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.03 -39.98 87.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.039 -1.038 . . . . 0.0 108.544 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.1 mt -75.18 -24.71 57.89 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.969 -1.082 . . . . 0.0 109.256 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.02 -24.64 64.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 119.846 -1.784 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 1.1 p90 -45.58 -47.23 14.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.035 -1.04 . . . . 0.0 110.105 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.579 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 6.4 pttt -68.24 -35.86 78.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.525 ' HG1' ' N ' ' Y' ' 113' ' ' GLU . 70.1 p -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.864 -1.148 . . . . 0.0 109.235 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . 0.525 ' N ' ' HG1' ' Y' ' 112' ' ' THR . 86.4 mt-10 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.441 -0.787 . . . . 0.0 . 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.463 ' C ' ' H ' ' A' ' 2' ' ' GLU . 27.9 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.296 0.569 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.6 t 50.07 12.62 0.09 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.261 -0.899 . . . . 0.0 110.082 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 0' ' ' MET . 98.9 mt-10 -72.72 1.92 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 1' ' ' SER . 56.9 tp -43.06 -26.46 0.15 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.976 -0.453 . . . . 0.0 110.465 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.0 -39.23 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 108.5 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.04 -39.05 75.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.766 -0.584 . . . . 0.0 109.963 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.03 85.22 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 110.859 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.5 mtt -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.184 -0.948 . . . . 0.0 109.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.94 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.31 -0.869 . . . . 0.0 110.135 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.16 68.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.28 -0.888 . . . . 0.0 110.258 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -69.16 -37.74 76.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.181 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.02 -43.15 95.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.001 -1.062 . . . . 0.0 111.1 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -43.23 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.935 -1.103 . . . . 0.0 110.742 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -39.96 87.72 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.947 -1.096 . . . . 0.0 109.287 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.09 -36.41 77.35 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.529 -0.732 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.87 -39.87 86.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.914 -1.116 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.94 -26.42 18.43 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.68 -1.263 . . . . 0.0 111.992 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 t -60.52 -40.66 92.26 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 109.367 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.58 30.88 3.36 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.63 -60.77 2.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.935 -1.332 . . . . 0.0 110.004 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -107.15 -15.48 14.66 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.34 -0.28 5.13 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -81.71 67.27 7.62 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.858 -1.377 . . . . 0.0 108.508 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.871 . . . . 0.0 110.332 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -80.42 -14.13 58.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.215 -0.928 . . . . 0.0 111.539 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 39.8 pttt -142.84 162.5 35.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.884 -1.135 . . . . 0.0 109.546 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.12 115.24 15.5 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.13 -0.981 . . . . 0.0 108.851 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.9 mttm -79.79 155.67 27.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.727 -1.233 . . . . 0.0 110.444 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -49.12 -21.8 0.82 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 28' ' ' LYS . 89.6 p -76.09 -49.95 16.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.826 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.31 -30.36 68.41 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.09 -44.08 95.06 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.14 -40.05 88.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.461 -0.775 . . . . 0.0 110.488 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.36 -40.01 95.0 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.067 -1.021 . . . . 0.0 109.39 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 4.7 tt -62.23 -50.1 73.11 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.216 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -69.59 -44.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 111.447 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 8.8 m120 -67.94 -39.94 83.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.723 -1.235 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.66 -29.81 12.46 Favored 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tp10 -79.11 -9.53 59.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.057 -1.652 . . . . 0.0 108.22 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.27 59.73 1.42 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -60.03 -41.54 92.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.174 -0.954 . . . . 0.0 110.028 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -145.75 7.51 1.1 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 0.0 109.436 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -90.03 -10.55 44.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.139 -0.976 . . . . 0.0 110.185 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 tp -159.42 164.53 34.52 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.96 118.98 7.41 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.595 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.87 165.96 12.07 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.394 -0.816 . . . . 0.0 109.143 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 50.2 mm -95.94 119.9 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -12.29 22.03 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.094 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 94.1 mt-10 -140.02 147.63 40.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.299 -0.875 . . . . 0.0 110.231 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.87 64.51 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 21.9 pt-20 -59.93 -38.3 81.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.078 -1.014 . . . . 0.0 109.525 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.0 -38.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.9 t -65.49 -38.03 81.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.26 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.81 -36.58 82.69 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.73 -39.99 84.23 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.69 -34.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.0 mmm -68.84 -29.78 68.18 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.522 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -57.41 -36.16 70.96 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 119.978 -1.701 . . . . 0.0 106.476 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -78.86 -46.38 18.73 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 16.5 mt -88.23 -14.62 38.02 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.782 -1.199 . . . . 0.0 110.547 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.2 t0 -79.98 62.89 4.33 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.752 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 45.7 p-10 -82.75 -3.09 56.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.203 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.24 34.7 90.26 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.883 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 p-10 -106.29 1.08 25.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.01 -1.288 . . . . 0.0 110.397 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.569 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.36 11.75 84.8 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -140.01 128.78 23.22 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -105.8 130.45 53.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.355 -0.84 . . . . 0.0 108.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.44 166.04 22.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.439 -0.788 . . . . 0.0 110.371 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.87 -35.76 34.4 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -69.99 -37.9 75.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.095 -1.003 . . . . 0.0 109.601 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 45.9 mt-10 -70.04 -41.26 74.45 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.679 -1.263 . . . . 0.0 109.662 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -70.07 -26.27 63.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 108.944 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -37.33 79.38 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.6 73.69 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.989 -1.084 . . . . 0.0 109.969 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.98 -40.05 91.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 110.461 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -37.2 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 109.805 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -66.52 -39.95 88.91 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.93 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.53 ' O ' ' NZ ' ' X' ' 111' ' ' LYS . 84.5 mtp -62.26 -47.25 85.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 0.0 110.973 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.98 -34.26 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.12 -0.987 . . . . 0.0 109.698 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -39.38 85.6 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 m -59.0 -39.98 83.47 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.92 87.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 0.0 109.052 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m -59.35 -34.23 72.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 15.4 t-80 -60.02 -40.72 90.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.563 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.18 -45.22 93.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -71.82 -40.01 69.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.383 -0.823 . . . . 0.0 109.439 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.02 64.69 3.37 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' A' ' 91' ' ' GLU . 3.5 pt-20 -81.25 94.83 6.78 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.161 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.1 -43.38 95.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' OE2' ' OE1' ' A' ' 89' ' ' GLU . 96.8 mt-10 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 . -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.476 ' C ' ' H ' ' B' ' 2' ' ' GLU . 28.2 ttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.293 0.568 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.409 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.6 t 50.03 12.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.115 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' B' ' 0' ' ' MET . 97.8 mt-10 -72.31 1.58 7.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.288 -0.883 . . . . 0.0 108.777 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' B' ' 1' ' ' SER . 54.9 tp -42.98 -26.61 0.15 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 122.002 -0.436 . . . . 0.0 110.506 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.03 -39.19 75.91 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.824 -1.172 . . . . 0.0 108.472 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.0 -39.25 75.99 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.778 -0.576 . . . . 0.0 109.934 179.647 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.92 85.21 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 110.882 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.13 -39.19 82.78 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.727 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.0 -40.06 87.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 110.07 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.31 69.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.363 -0.836 . . . . 0.0 110.25 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -39.98 87.49 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.22 -37.78 76.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.98 -43.19 95.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.024 -1.048 . . . . 0.0 111.139 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -43.23 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.976 -1.078 . . . . 0.0 110.687 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.864 -1.147 . . . . 0.0 109.229 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -60.2 -36.32 77.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.546 -0.721 . . . . 0.0 111.071 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.91 -40.0 87.31 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.83 -1.169 . . . . 0.0 110.844 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -91.72 -26.11 18.76 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.699 -1.251 . . . . 0.0 112.159 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -60.63 -40.9 93.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.826 -1.171 . . . . 0.0 109.347 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.26 30.65 3.3 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.54 -60.8 2.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.911 -1.346 . . . . 0.0 110.022 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -107.37 -15.76 14.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.547 -0.721 . . . . 0.0 109.093 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.4 -1.55 4.88 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.37 67.43 7.31 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.88 -1.365 . . . . 0.0 108.646 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -69.98 -39.96 75.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.43 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -80.41 -13.99 58.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.186 -0.946 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -142.98 162.36 35.66 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.896 -1.128 . . . . 0.0 109.572 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.93 115.03 15.35 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.213 -0.93 . . . . 0.0 108.973 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 30' ' ' SER . 59.6 mttm -79.74 155.64 27.86 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.773 -1.205 . . . . 0.0 110.491 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -49.0 -21.89 0.76 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.462 ' N ' ' C ' ' B' ' 28' ' ' LYS . 91.8 p -75.94 -49.94 16.35 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.914 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.35 -30.36 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.02 -44.19 94.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.491 -0.756 . . . . 0.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.5 -39.95 94.75 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.099 -1.0 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 4.6 tt -62.33 -49.94 73.6 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.834 -1.166 . . . . 0.0 109.276 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.59 -44.48 79.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.19 -0.944 . . . . 0.0 111.352 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 8.8 m120 -67.84 -39.96 83.79 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.696 -1.252 . . . . 0.0 111.47 -178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.71 -30.07 12.29 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tp10 -78.96 -9.24 59.46 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.08 -1.638 . . . . 0.0 108.287 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 mt -127.77 59.81 1.46 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.618 ' HG ' ' N ' ' B' ' 42' ' ' HIS . 80.6 p -59.92 -41.59 92.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 109.947 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.618 ' N ' ' HG ' ' B' ' 41' ' ' SER . 97.4 m-70 -145.8 7.39 1.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.01 -10.37 45.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.138 -0.976 . . . . 0.0 110.118 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tp -159.55 164.42 34.31 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.94 118.88 7.26 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.612 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.76 166.04 11.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.147 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.479 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 48.5 mm -96.1 119.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -12.4 22.06 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.096 -177.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.434 ' OE1' ' OE2' ' B' ' 51' ' ' GLU . 93.4 mt-10 -140.0 147.67 40.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.317 -0.864 . . . . 0.0 110.21 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -22.97 64.55 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' OE1' ' B' ' 49' ' ' GLU . 22.0 pt-20 -59.9 -38.32 81.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.085 -1.009 . . . . 0.0 109.512 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.0 -38.84 78.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.265 -0.897 . . . . 0.0 108.801 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 t -65.38 -38.51 82.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 121.769 -0.582 . . . . 0.0 110.119 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.35 -36.72 83.6 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.386 -0.821 . . . . 0.0 110.022 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.8 -40.03 83.95 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.73 -34.43 70.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.597 ' O ' ' N ' ' B' ' 61' ' ' ASP . 78.9 mmm -69.06 -29.73 67.92 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.334 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.02 -36.7 70.76 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.4 m -78.6 -46.5 19.18 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.373 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 15.0 mt -88.0 -14.94 37.77 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.852 -1.155 . . . . 0.0 110.578 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -79.94 62.63 4.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -58.54 -39.93 81.59 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.813 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 45.0 p-10 -82.69 -3.17 55.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.09 -1.006 . . . . 0.0 109.263 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.77 90.23 Favored Glycine 0 N--CA 1.497 2.728 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.827 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 50.2 p-10 -106.48 1.01 25.17 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.036 -1.273 . . . . 0.0 110.416 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.564 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.24 11.89 84.6 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -140.05 128.58 22.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.77 130.69 53.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.259 -0.9 . . . . 0.0 108.811 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.65 165.92 22.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.459 -0.775 . . . . 0.0 110.372 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -50.71 -36.01 34.05 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.86 -37.93 76.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.086 -1.009 . . . . 0.0 109.587 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 45.7 mt-10 -69.97 -41.33 74.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.635 -1.291 . . . . 0.0 109.732 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -70.03 -26.13 63.9 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.087 -1.008 . . . . 0.0 108.851 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.57 79.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.63 73.85 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.129 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.89 -40.0 91.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.083 -1.01 . . . . 0.0 110.575 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -37.0 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.747 -0.596 . . . . 0.0 109.847 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -66.44 -39.99 89.22 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.394 -0.923 . . . . 0.0 108.964 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.54 ' O ' ' NZ ' ' Y' ' 111' ' ' LYS . 84.8 mtp -62.51 -47.38 84.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.671 -0.643 . . . . 0.0 111.006 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.86 -34.22 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.094 -1.004 . . . . 0.0 109.642 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.49 85.75 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.803 0.811 . . . . 0.0 108.88 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -58.77 -39.98 82.6 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.236 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -59.25 -34.21 71.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.432 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 15.1 t-80 -60.04 -40.73 90.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.071 -1.018 . . . . 0.0 109.542 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.11 -44.99 94.46 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -72.08 -40.0 68.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.06 64.69 3.35 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' B' ' 91' ' ' GLU . 3.2 pt-20 -81.31 94.94 6.84 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.149 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.13 -43.59 94.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.51 -0.744 . . . . 0.0 109.925 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.428 ' OE2' ' OE1' ' B' ' 89' ' ' GLU . 97.4 mt-10 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.323 -0.861 . . . . 0.0 . -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -81.33 141.79 33.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 69.5 mt -99.98 121.05 40.77 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.32 -0.862 . . . . 0.0 109.017 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -69.96 -20.2 63.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.589 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t 58.53 37.59 25.49 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.249 -0.907 . . . . 0.0 110.011 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -99.21 133.43 43.51 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.246 -0.909 . . . . 0.0 109.368 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.219 -0.926 . . . . 0.0 109.468 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.09 -155.66 42.43 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -131.07 -161.02 1.09 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.566 -0.961 . . . . 0.0 109.105 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 45.3 m -52.9 -24.86 10.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.889 . . . . 0.0 109.038 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -43.67 -25.03 0.15 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.343 -0.848 . . . . 0.0 110.41 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 78.5 p -60.49 -40.46 91.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.824 -1.172 . . . . 0.0 108.504 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.514 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -69.93 -40.44 75.52 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.93 0.871 . . . . 0.0 108.792 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.55 -38.28 86.86 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.99 -33.37 71.87 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.7 -40.06 86.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.757 -1.214 . . . . 0.0 109.138 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.51 -30.35 69.15 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.153 -0.967 . . . . 0.0 109.292 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.462 ' O ' ' OG1' ' X' ' 112' ' ' THR . 15.6 mmt -58.19 -24.5 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 110.012 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.8 p90 -40.02 -49.9 2.53 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.174 -0.954 . . . . 0.0 110.829 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.556 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.19 -25.52 39.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.717 -1.24 . . . . 0.0 109.991 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' X' ' 109' ' ' MET . 73.2 p -59.72 -38.39 81.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.521 -1.362 . . . . 0.0 108.241 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.303 -1.417 0 O-C-N 121.344 -0.847 . . . . 0.0 . 179.124 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.316 0.579 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.51 141.92 33.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.98 120.9 40.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.36 -0.838 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.83 . . . . 0.0 109.545 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 58.16 38.23 26.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -99.84 133.39 44.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.203 -0.935 . . . . 0.0 109.247 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.179 -0.951 . . . . 0.0 109.397 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.23 -155.78 42.71 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -130.93 -160.98 1.09 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.621 -0.929 . . . . 0.0 109.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 48.1 m -52.93 -24.73 9.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.0 109.026 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -43.75 -25.19 0.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.337 -0.852 . . . . 0.0 110.368 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -40.48 90.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.852 -1.155 . . . . 0.0 108.513 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.51 HH11 ' CG ' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -69.96 -40.48 75.37 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.903 0.858 . . . . 0.0 108.799 179.287 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -61.27 -38.45 86.8 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.99 -33.4 71.92 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -59.66 -40.05 86.47 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.769 -1.207 . . . . 0.0 109.109 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.88 -29.87 68.25 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.113 -0.992 . . . . 0.0 109.272 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.459 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 15.4 mmt -58.54 -24.52 60.85 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.856 -1.152 . . . . 0.0 109.945 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.7 p90 -39.97 -49.87 2.49 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.895 . . . . 0.0 110.836 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.16 -25.51 39.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.65 -1.281 . . . . 0.0 110.03 -179.493 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.461 ' HG1' ' N ' ' Y' ' 113' ' ' GLU . 74.6 p -59.9 -37.6 79.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.57 -1.331 . . . . 0.0 108.417 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . 0.461 ' N ' ' HG1' ' Y' ' 112' ' ' THR . 79.7 mm-40 . . . . . 0 C--N 1.304 -1.373 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.404 ' C ' ' N ' ' A' ' 2' ' ' GLU . 48.9 ttp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.265 0.555 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.77 16.8 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.315 -0.865 . . . . 0.0 110.052 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 0' ' ' MET . 21.5 pt-20 -74.65 19.35 0.14 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.1 tp -60.0 -36.13 76.54 Favored 'General case' 0 C--O 1.204 -1.317 0 O-C-N 121.584 -0.698 . . . . 0.0 109.311 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.0 -38.5 82.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.426 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -63.91 -39.98 95.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.41 -0.806 . . . . 0.0 109.685 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.02 83.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.307 -0.871 . . . . 0.0 110.789 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.42 -39.99 95.11 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.083 -1.01 . . . . 0.0 109.382 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.48 -39.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.662 -0.649 . . . . 0.0 109.293 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.684 -0.635 . . . . 0.0 111.544 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.91 -40.1 87.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.721 -1.237 . . . . 0.0 108.383 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.9 mt -68.23 -38.08 79.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.875 -0.516 . . . . 0.0 111.224 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -68.62 -40.02 80.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.613 -1.304 . . . . 0.0 111.657 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.41 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.14 -37.59 77.65 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.11 -26.94 65.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.694 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.04 -42.91 95.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.744 -1.222 . . . . 0.0 110.131 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 66.6 m-85 -91.78 -40.32 11.29 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.91 -1.119 . . . . 0.0 112.018 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -60.11 -40.12 88.6 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.116 -0.99 . . . . 0.0 111.188 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.12 -9.04 62.86 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.498 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -69.63 -43.04 73.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.944 -1.327 . . . . 0.0 110.16 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASP . 87.2 tt0 -113.79 152.89 29.97 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.624 -0.673 . . . . 0.0 109.722 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 -19.51 0.04 OUTLIER Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.15 58.46 0.7 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.8 -1.412 . . . . 0.0 109.229 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -61.0 -40.78 94.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.054 -1.029 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -99.39 0.04 41.94 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.23 -0.919 . . . . 0.0 110.061 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' ASP . 97.5 mttt -141.38 169.03 18.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.044 -1.035 . . . . 0.0 110.561 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.1 mt -135.86 137.37 41.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.652 -0.655 . . . . 0.0 110.293 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 30' ' ' SER . 31.2 mmtp -100.3 153.47 19.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -47.22 -23.38 0.53 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.788 -1.195 . . . . 0.0 108.79 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 47.6 t -74.45 -55.19 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.73 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.7 tt0 -68.63 -29.52 68.04 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.792 -1.192 . . . . 0.0 108.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.71 -40.29 94.53 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.38 -39.97 89.17 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.369 -0.832 . . . . 0.0 111.138 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 9.7 mp0 -68.37 -33.46 74.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.896 -1.128 . . . . 0.0 108.616 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.1 tt -62.75 -50.96 69.02 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.987 -1.071 . . . . 0.0 108.317 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -76.3 -47.54 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.163 -0.96 . . . . 0.0 111.833 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -65.07 -40.05 94.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.274 -0.891 . . . . 0.0 112.712 -176.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.98 -37.73 10.07 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.088 -1.008 . . . . 0.0 112.533 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 62.3 tt0 -68.03 -40.54 82.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.609 -1.307 . . . . 0.0 109.161 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.6 64.03 0.8 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.64 -0.662 . . . . 0.0 109.282 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -60.12 -40.07 88.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 110.095 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -136.38 -18.6 1.48 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.218 -0.926 . . . . 0.0 110.562 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.04 -39.99 91.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.897 -1.127 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -127.49 159.72 33.67 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.2 pt-20 -53.86 113.02 1.06 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.66 -1.216 . . . . 0.0 108.847 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' HG3' HD21 ' A' ' 37' ' ' ASN . 88.1 tt0 -66.46 150.01 49.57 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 109.512 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mt -88.04 139.95 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.103 -0.998 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -114.81 -13.01 12.04 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.542 -0.724 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -138.32 135.81 35.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.204 -0.935 . . . . 0.0 109.611 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.72 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -63.61 -22.03 66.68 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.4 -0.812 . . . . 0.0 110.571 -178.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 19.3 pt-20 -60.02 -39.14 84.83 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.709 -1.245 . . . . 0.0 109.686 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 69.0 t -59.94 -40.02 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.67 -39.93 84.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.265 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.28 -39.94 92.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.286 -0.884 . . . . 0.0 109.776 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 1.016 ' HZ2' ' NE2' ' X' ' 105' ' ' HIS . 34.1 ttmt -64.69 -39.99 94.61 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.936 0.874 . . . . 0.0 108.647 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 t -66.21 -30.75 50.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 82.4 mmm -69.98 -26.85 64.29 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.672 -0.811 . . . . 0.0 108.985 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -39.96 87.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -77.79 -41.39 37.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.775 -0.578 . . . . 0.0 111.174 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' CD2' ' O ' ' A' ' 72' ' ' GLU . 24.2 mt -88.23 -17.66 30.32 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.797 -1.189 . . . . 0.0 111.02 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.5 t0 -80.98 58.63 3.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.97 -33.18 71.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.94 -8.89 59.28 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.92 32.21 79.01 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 7.2 p30 -107.56 3.67 25.16 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.232 -1.158 . . . . 0.0 110.435 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.07 4.46 89.7 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.93 140.58 36.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.629 -0.924 . . . . 0.0 108.683 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.68 138.54 45.89 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 121.817 0.818 . . . . 0.0 109.03 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 37.8 t0 -81.55 170.18 16.18 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.371 0.605 . . . . 0.0 109.984 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 6.9 t80 -53.9 -39.92 66.19 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.25 -50.93 71.71 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.365 -0.835 . . . . 0.0 110.901 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 40.1 mt-10 -61.52 -40.18 93.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.079 -1.013 . . . . 0.0 110.897 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.8 -36.55 84.25 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.418 -0.801 . . . . 0.0 109.702 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.3 mmm -60.0 -38.61 83.14 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.29 0.567 . . . . 0.0 111.033 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.29 74.61 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.622 -1.298 . . . . 0.0 111.223 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -66.36 -29.55 69.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.112 -0.993 . . . . 0.0 110.463 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.42 -38.88 82.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.389 -0.819 . . . . 0.0 109.446 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -63.06 -40.49 97.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 mtm -70.8 -40.9 72.24 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.465 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.7 t -65.62 -37.93 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.779 -1.2 . . . . 0.0 109.932 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -59.98 -38.42 82.49 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.0 m -58.47 -39.96 81.41 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.92 84.11 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.563 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 7.7 t -59.96 -37.89 80.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.713 -0.617 . . . . 0.0 110.272 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -59.8 -40.0 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.032 -1.042 . . . . 0.0 108.84 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -66.17 -34.13 77.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 109.299 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -92.49 -23.61 19.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.339 -0.85 . . . . 0.0 111.196 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 3.2 m-85 -93.4 22.55 5.18 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.772 -1.205 . . . . 0.0 109.109 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.15 99.66 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 109.395 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -59.96 -40.15 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.772 -0.58 . . . . 0.0 . 179.279 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.307 0.575 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.569 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.9 16.93 0.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -74.83 19.54 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.569 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.5 tp -60.09 -36.14 76.75 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.97 -38.91 83.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.197 -0.939 . . . . 0.0 109.379 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.63 -40.02 95.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.283 -0.885 . . . . 0.0 109.749 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.85 -40.08 83.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.15 -40.04 94.63 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.111 -0.993 . . . . 0.0 109.435 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.65 -39.89 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 95.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.659 -0.651 . . . . 0.0 111.527 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.748 -1.22 . . . . 0.0 108.39 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.406 HG21 HD11 ' B' ' 11' ' ' ILE . 86.4 mt -68.46 -38.13 78.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.821 -0.549 . . . . 0.0 111.161 -178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.39 -40.11 81.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.688 -1.257 . . . . 0.0 111.645 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.8 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.902 . . . . 0.0 109.665 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -58.75 -37.74 76.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.437 -0.789 . . . . 0.0 109.055 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -68.99 -27.13 65.42 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.292 -0.88 . . . . 0.0 110.671 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.99 -42.74 94.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.68 -1.263 . . . . 0.0 110.152 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.425 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 66.0 m-85 -91.93 -40.21 11.27 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.936 -1.102 . . . . 0.0 112.053 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.3 -40.11 89.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 111.227 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.2 -8.95 62.95 Favored Glycine 0 N--CA 1.492 2.396 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.467 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -69.78 -42.9 73.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.901 -1.352 . . . . 0.0 110.031 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 23' ' ' ASP . 84.8 tt0 -113.48 152.98 29.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.667 -0.646 . . . . 0.0 109.708 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.24 -18.9 0.04 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.5 m-20 -74.3 58.15 0.71 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.827 -1.396 . . . . 0.0 109.209 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -60.52 -40.92 93.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.085 -1.009 . . . . 0.0 110.19 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -99.4 0.01 41.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.206 -0.934 . . . . 0.0 110.201 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 97.1 mttt -141.17 168.99 18.46 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.122 -0.986 . . . . 0.0 110.678 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 mt -135.85 137.21 41.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.685 -0.634 . . . . 0.0 110.351 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' B' ' 29' ' ' LYS . 30.5 mmtp -100.21 153.53 19.2 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 50.9 pttt -47.32 -23.38 0.56 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.846 -1.159 . . . . 0.0 108.796 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.46 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 47.5 t -74.34 -55.21 6.27 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.695 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 31.8 tt0 -68.51 -29.78 68.45 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.876 -1.14 . . . . 0.0 108.076 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.87 -40.05 94.01 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.28 -40.0 88.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 111.116 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 9.9 mp0 -68.44 -33.48 74.27 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.922 -1.111 . . . . 0.0 108.608 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.458 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.0 tt -62.6 -51.24 68.09 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 118.887 -1.125 . . . . 0.0 108.258 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.4 HG23 HD12 ' B' ' 36' ' ' ILE . 88.2 mt -76.17 -47.55 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.841 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.9 OUTLIER -65.2 -40.0 93.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 0.0 112.706 -176.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -38.15 10.03 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.059 -1.025 . . . . 0.0 112.488 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 63.5 tt0 -67.68 -40.34 84.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.537 -1.352 . . . . 0.0 109.28 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.5 63.56 0.79 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.565 -0.709 . . . . 0.0 109.338 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -59.99 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 110.207 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.4 -18.82 1.46 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.185 -0.947 . . . . 0.0 110.457 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.929 -1.107 . . . . 0.0 109.945 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.57 159.78 33.57 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 11.1 pt-20 -53.83 112.97 1.04 Allowed 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.807 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.432 ' OE2' ' ND2' ' B' ' 37' ' ' ASN . 87.9 tt0 -66.45 149.99 49.59 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.397 -0.815 . . . . 0.0 109.516 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.02 140.02 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.182 -0.948 . . . . 0.0 109.983 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -114.91 -12.95 11.98 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.482 -0.761 . . . . 0.0 109.385 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -138.43 135.66 35.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.717 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -63.25 -22.38 66.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.366 -0.834 . . . . 0.0 110.61 -178.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.95 -39.07 84.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.729 -1.232 . . . . 0.0 109.621 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.0 -40.03 81.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.57 -40.08 85.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.77 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 1.053 ' HZ2' ' NE2' ' Y' ' 105' ' ' HIS . 34.1 ttmt -64.51 -40.04 94.9 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.5 t -66.12 -30.68 50.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.4 mmm -69.95 -27.16 64.52 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.042 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.82 -39.98 86.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -77.8 -41.31 37.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.727 -0.608 . . . . 0.0 111.208 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' B' ' 72' ' ' GLU . 24.2 mt -88.21 -17.88 29.89 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.789 -1.195 . . . . 0.0 110.992 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -81.02 58.9 3.61 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -60.06 -33.51 72.15 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 68.4 m-20 -78.68 -8.88 59.12 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.84 32.02 77.96 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 7.2 p30 -107.35 3.65 25.56 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.279 -1.13 . . . . 0.0 110.415 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.475 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.06 4.58 89.72 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.97 140.61 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.639 -0.918 . . . . 0.0 108.686 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 138.37 46.22 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.357 -0.84 . . . . 0.0 109.019 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.0 t0 -81.27 170.43 16.07 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.406 0.622 . . . . 0.0 109.938 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.5 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 6.8 t80 -54.25 -40.01 67.34 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.14 -50.87 72.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 40.1 mt-10 -61.6 -40.09 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.031 -1.043 . . . . 0.0 110.823 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.74 -36.73 84.83 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.415 -0.803 . . . . 0.0 109.693 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.04 -38.55 83.06 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.3 0.571 . . . . 0.0 111.038 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.36 74.86 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.677 -1.265 . . . . 0.0 111.175 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -66.43 -29.47 69.62 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.083 -1.011 . . . . 0.0 110.429 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.33 -39.03 83.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -63.37 -40.15 96.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 0.0 110.336 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 5.9 mtm -70.8 -40.88 72.27 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.13 -0.982 . . . . 0.0 111.451 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.468 ' HA ' ' HZ2' ' Y' ' 111' ' ' LYS . 65.7 t -65.59 -37.94 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.792 -1.192 . . . . 0.0 109.829 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -59.95 -38.61 82.94 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 m -58.29 -40.02 80.84 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.34 85.6 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 8.4 t -59.87 -37.64 79.92 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.767 -0.583 . . . . 0.0 110.204 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.87 -40.01 87.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.928 -1.108 . . . . 0.0 108.789 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.24 -34.0 77.03 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.455 -0.778 . . . . 0.0 109.257 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -92.58 -23.5 19.02 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.387 -0.821 . . . . 0.0 111.326 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 3.2 m-85 -93.51 22.62 5.2 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.769 -1.207 . . . . 0.0 109.033 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -57.34 99.72 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.392 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.467 -0.771 . . . . 0.0 109.023 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.727 -0.608 . . . . 0.0 . 179.227 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -75.29 146.66 40.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.295 -0.878 . . . . 0.0 109.551 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.19 129.99 39.27 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.186 -0.947 . . . . 0.0 108.608 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' X' ' 96' ' ' SER . 0.0 OUTLIER -62.74 -41.21 99.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.677 -179.285 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 96' ' ' SER . . . . . 0.42 ' C ' ' O ' ' X' ' 95' ' ' LYS . 15.0 t 40.89 47.49 2.57 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.553 -0.717 . . . . 0.0 110.001 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -101.63 115.41 30.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 109.32 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -94.59 0.21 55.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.91 -173.69 28.25 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -103.49 139.91 38.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.98 . . . . 0.0 110.1 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.52 ' O ' ' N ' ' X' ' 103' ' ' SER . 99.4 p -62.3 -27.84 69.31 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.461 -0.775 . . . . 0.0 109.125 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.2 t -40.37 -24.66 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.691 0.758 . . . . 0.0 109.611 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.52 ' N ' ' O ' ' X' ' 101' ' ' SER . 28.0 t -50.05 -28.63 7.37 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.434 -0.792 . . . . 0.0 109.11 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.421 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.91 -40.07 87.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.86 . . . . 0.0 110.617 -179.223 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 1.016 ' NE2' ' HZ2' ' A' ' 55' ' ' LYS . 5.3 p-80 -60.89 -40.08 91.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.625 -1.297 . . . . 0.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.662 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.7 ttpt -60.88 -37.59 82.71 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.601 0.715 . . . . 0.0 109.553 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.31 -39.96 76.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.119 -0.988 . . . . 0.0 109.265 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.662 ' CD1' ' HZ1' ' X' ' 111' ' ' LYS . 10.2 tp -71.73 -26.41 62.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.268 -0.895 . . . . 0.0 109.612 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.453 ' O ' ' OG1' ' X' ' 112' ' ' THR . 17.3 mmt -57.45 -24.61 56.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.928 -1.107 . . . . 0.0 109.595 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -40.0 -49.56 2.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.662 ' HZ1' ' CD1' ' X' ' 108' ' ' LEU . 9.4 ptpt -73.35 -32.71 64.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' X' ' 109' ' ' MET . 79.6 p -59.98 -37.91 81.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.471 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.571 -0.706 . . . . 0.0 . 178.501 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . 0.417 ' H2 ' ' H ' ' Y' ' 93' ' ' HIS . 28.9 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.417 ' H ' ' H2 ' ' Y' ' 92' ' ' SER . 99.7 m-70 -75.27 146.71 40.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.39 129.8 38.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.149 -0.969 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' Y' ' 96' ' ' SER . 0.0 OUTLIER -62.29 -41.41 98.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 109.729 -179.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . 0.41 ' C ' ' O ' ' Y' ' 95' ' ' LYS . 11.6 t 41.21 46.64 2.72 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 110.132 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.28 115.55 30.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.251 -0.906 . . . . 0.0 109.304 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -94.7 0.2 54.83 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.302 -0.874 . . . . 0.0 109.241 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.17 -173.65 27.89 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -103.48 139.68 38.5 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -1.004 . . . . 0.0 110.071 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.529 ' O ' ' N ' ' Y' ' 103' ' ' SER . 95.2 p -62.09 -27.8 69.17 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.369 -0.832 . . . . 0.0 109.169 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.561 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.0 t -40.36 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.669 0.747 . . . . 0.0 109.646 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.529 ' N ' ' O ' ' Y' ' 101' ' ' SER . 23.1 t -50.05 -28.55 7.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.449 -0.782 . . . . 0.0 109.081 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.434 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.1 OUTLIER -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 0.0 110.738 -179.182 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 1.053 ' NE2' ' HZ2' ' B' ' 55' ' ' LYS . 5.5 p-80 -60.85 -40.1 91.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.736 -1.228 . . . . 0.0 109.247 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.659 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.5 ttpt -60.7 -37.43 81.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.569 -0.707 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.59 -40.04 78.14 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.192 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.601 ' CD1' ' HZ3' ' Y' ' 111' ' ' LYS . 9.4 tp -71.52 -26.58 62.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.317 -0.864 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.449 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 17.4 mmt -57.37 -24.57 56.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.174 . . . . 0.0 109.638 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.585 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.6 p90 -40.08 -49.5 2.57 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.384 -0.822 . . . . 0.0 110.103 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.601 ' HZ3' ' CD1' ' Y' ' 108' ' ' LEU . 9.6 ptpt -73.2 -33.16 65.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 77.0 p -60.04 -37.08 78.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.976 -1.077 . . . . 0.0 108.587 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.527 -0.733 . . . . 0.0 . 178.327 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.431 ' O ' ' OG ' ' A' ' 1' ' ' SER . 67.5 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 0' ' ' MET . 5.2 p 61.79 25.65 15.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.242 -0.911 . . . . 0.0 109.508 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -76.29 -9.64 58.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.48 -0.763 . . . . 0.0 109.55 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' GLU . 22.8 tp -42.35 -24.15 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.476 -0.765 . . . . 0.0 110.378 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' GLU . 14.0 tm-20 -69.16 -39.86 78.54 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.001 -1.062 . . . . 0.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -73.01 -33.1 65.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.854 -1.154 . . . . 0.0 109.506 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -41.51 76.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 110.861 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.34 -40.02 95.06 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 109.777 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.61 -36.92 78.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.646 -0.659 . . . . 0.0 109.63 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.31 88.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.588 -0.695 . . . . 0.0 111.334 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.99 -39.81 87.02 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.327 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.87 -39.94 82.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -60.48 -40.04 89.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.742 -1.224 . . . . 0.0 111.236 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -32.57 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.149 -0.969 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' A' ' 18' ' ' SER . 84.9 t80 -57.42 -46.39 83.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.131 -0.981 . . . . 0.0 109.193 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -76.73 -22.07 54.37 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.6 -41.92 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.13 -0.981 . . . . 0.0 111.011 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -119.8 -25.05 5.97 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 120.985 -1.072 . . . . 0.0 111.319 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 78.4 p -63.29 -39.97 96.06 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.745 -1.222 . . . . 0.0 109.916 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -72.68 -1.22 53.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.85 -45.98 90.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.122 -1.222 . . . . 0.0 109.67 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -115.09 171.93 7.37 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-O 121.61 0.719 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -52.98 -30.36 37.3 Favored Glycine 0 N--CA 1.493 2.47 0 O-C-N 121.504 -0.747 . . . . 0.0 111.356 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.9 m-20 -68.72 46.97 0.06 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.594 -1.533 . . . . 0.0 109.658 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HZ3' ' CB ' ' A' ' 24' ' ' LYS . 7.5 ttpm? -66.68 -38.78 87.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.923 -1.111 . . . . 0.0 109.534 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -77.82 -15.46 59.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.463 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' O ' ' O ' ' A' ' 23' ' ' ASP . 52.6 pttt -140.8 154.19 46.13 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.797 -1.189 . . . . 0.0 109.304 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.6 110.03 22.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.093 -1.005 . . . . 0.0 109.997 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.8 tttp -81.75 152.41 27.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.767 -1.208 . . . . 0.0 108.245 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.45 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.088 -1.008 . . . . 0.0 108.735 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LYS . 91.0 p -73.96 -47.84 34.65 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.647 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.88 -34.43 73.55 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.93 -40.65 89.64 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.53 87.01 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 109.542 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.08 -39.82 93.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -50.01 75.39 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -74.49 -46.98 41.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 121.241 -0.912 . . . . 0.0 113.459 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -78.53 -43.21 27.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.702 -1.249 . . . . 0.0 113.026 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 38' ' ' ASN . 3.2 m120 -95.98 -32.94 12.35 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -86.12 -11.01 53.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.281 -1.512 . . . . 0.0 110.648 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -113.33 53.9 0.75 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.254 -0.904 . . . . 0.0 109.147 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 43' ' ' PHE . 9.4 p -57.94 100.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.909 . . . . 0.0 109.531 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 55.5 -2.65 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.672 -0.642 . . . . 0.0 110.692 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.0 t80 -69.9 -38.52 76.33 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.881 -1.137 . . . . 0.0 107.975 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -129.76 -144.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.0 tt0 -93.96 106.65 18.61 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.124 -0.985 . . . . 0.0 108.725 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -68.41 136.8 53.86 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.04 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.4 mt -92.9 135.53 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.672 ' NZ ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -109.58 -23.21 11.59 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 110.73 -177.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.3 tp10 -120.81 136.95 54.77 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -60.65 -25.84 66.62 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.652 -0.655 . . . . 0.0 110.724 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.6 pt-20 -59.95 -37.08 78.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.941 -1.099 . . . . 0.0 110.053 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.13 -39.94 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.906 -1.121 . . . . 0.0 108.075 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -65.57 -33.87 66.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 121.863 -0.523 . . . . 0.0 110.071 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.86 -38.32 86.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.973 0.892 . . . . 0.0 109.667 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.02 -39.6 75.69 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.73 -30.64 50.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.68 -39.98 71.71 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.491 -1.38 . . . . 0.0 107.74 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -79.36 -42.92 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.563 -0.711 . . . . 0.0 111.619 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 10.8 mt -88.41 -16.64 32.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.823 -1.173 . . . . 0.0 110.908 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.1 t0 -80.68 58.6 3.33 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -60.03 -38.43 82.7 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.4 m-20 -73.49 -11.1 60.34 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.19 28.81 67.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.5 p-10 -107.11 4.93 27.41 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -1.117 . . . . 0.0 109.97 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.68 2.57 85.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.2 mt-10 -135.99 132.29 36.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.776 -0.837 . . . . 0.0 108.888 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.34 44.83 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.48 164.93 22.03 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.32 -0.863 . . . . 0.0 109.329 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 3.2 t80 -49.18 -39.99 31.41 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -61.87 -46.84 87.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.45 -0.781 . . . . 0.0 110.464 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 36.2 mt-10 -59.97 -40.17 88.16 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.807 -178.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -67.89 -36.45 80.26 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.088 -1.008 . . . . 0.0 109.077 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.434 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 82.1 mmm -60.08 -39.65 86.82 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.675 -0.641 . . . . 0.0 110.701 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.91 -32.36 72.78 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.782 -1.199 . . . . 0.0 110.936 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 33.5 t80 -61.43 -38.26 86.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.895 -1.128 . . . . 0.0 109.717 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.7 -38.03 77.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 71.7 p -62.01 -40.01 94.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.184 -0.948 . . . . 0.0 109.369 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.415 ' HE3' ' HZ2' ' X' ' 111' ' ' LYS . 34.1 mtp -70.12 -46.56 64.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.571 -0.706 . . . . 0.0 111.71 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.43 -38.0 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.267 -0.895 . . . . 0.0 110.11 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.2 m -60.05 -39.97 87.83 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.42 -39.4 60.91 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.76 86.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.9 m -59.75 -33.15 71.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.516 -0.74 . . . . 0.0 109.665 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.99 -40.08 87.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.953 -1.092 . . . . 0.0 108.83 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.6 -37.96 83.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.37 -0.831 . . . . 0.0 109.712 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -93.81 -21.44 19.28 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.212 -0.93 . . . . 0.0 110.787 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' CYS . 36.6 t80 -80.07 -10.11 59.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.866 -1.146 . . . . 0.0 110.4 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.51 88.24 4.48 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.61 -1.306 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -61.12 -40.01 92.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.274 -0.891 . . . . 0.0 108.8 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.469 -0.769 . . . . 0.0 . 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.405 ' O ' ' OG ' ' B' ' 1' ' ' SER . 68.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' B' ' 0' ' ' MET . 5.8 p 61.83 25.63 15.44 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 109.593 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -76.35 -9.32 58.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.488 -0.758 . . . . 0.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 tp -42.47 -24.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 2' ' ' GLU . 14.1 tm-20 -69.07 -39.95 78.79 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -73.01 -33.36 65.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.93 -1.106 . . . . 0.0 109.496 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -41.56 76.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.412 -0.805 . . . . 0.0 110.915 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.4 mtt -64.23 -40.02 95.18 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.007 -1.058 . . . . 0.0 109.813 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.7 -36.75 78.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 121.597 -0.69 . . . . 0.0 109.618 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.44 88.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 111.329 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.81 -40.12 87.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.766 -1.209 . . . . 0.0 108.443 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.74 -39.87 82.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -60.55 -40.19 90.67 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.664 -1.273 . . . . 0.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.93 -32.51 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.159 -0.963 . . . . 0.0 109.445 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.45 ' O ' ' OG ' ' B' ' 18' ' ' SER . 85.2 t80 -57.38 -46.28 83.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.261 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -76.71 -22.35 54.02 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.28 -0.887 . . . . 0.0 110.749 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.26 -42.32 73.38 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.055 -1.028 . . . . 0.0 110.936 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -119.65 -24.89 6.09 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.986 -1.071 . . . . 0.0 111.448 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 75.0 p -63.52 -40.0 95.89 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.769 -1.207 . . . . 0.0 109.917 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.62 -1.13 52.28 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.025 -1.279 . . . . 0.0 109.594 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.24 172.18 7.24 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.522 -0.736 . . . . 0.0 110.036 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -52.89 -30.9 38.01 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.0 m-20 -68.62 47.12 0.06 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.623 -1.516 . . . . 0.0 109.695 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.535 ' CB ' ' HZ2' ' B' ' 24' ' ' LYS . 7.4 ttpm? -66.66 -38.82 87.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.94 -1.1 . . . . 0.0 109.554 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -78.01 -15.12 59.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.409 -0.807 . . . . 0.0 111.397 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' B' ' 23' ' ' ASP . 53.1 pttt -140.98 154.18 45.93 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.743 -1.223 . . . . 0.0 109.421 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 mt -106.49 110.11 22.23 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.139 -0.976 . . . . 0.0 110.004 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.6 tttp -81.94 152.33 26.81 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.713 -1.242 . . . . 0.0 108.228 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.59 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 0.0 108.712 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 28' ' ' LYS . 96.3 p -73.68 -48.23 33.76 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.639 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.51 -34.32 74.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.023 -1.048 . . . . 0.0 108.249 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.08 -40.43 89.49 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.12 -39.8 87.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.361 -0.837 . . . . 0.0 109.601 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -39.78 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -50.0 75.42 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.66 -47.02 40.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 O-C-N 121.248 -0.907 . . . . 0.0 113.355 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -78.37 -43.34 27.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.714 -1.241 . . . . 0.0 113.08 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.411 HD21 ' N ' ' B' ' 38' ' ' ASN . 3.2 m120 -96.04 -33.03 12.27 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.157 -0.964 . . . . 0.0 113.49 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.9 -10.93 54.47 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.243 -1.536 . . . . 0.0 110.725 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.1 mt -113.33 53.92 0.75 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.209 -0.932 . . . . 0.0 109.08 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.568 ' C ' ' H ' ' B' ' 43' ' ' PHE . 8.2 p -57.83 100.7 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 0.0 109.547 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.7 m80 55.43 -2.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.702 -0.624 . . . . 0.0 110.671 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.568 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.1 t80 -69.96 -38.51 76.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 108.09 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.499 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.6 tp -129.79 -144.74 0.27 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.499 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -94.01 106.43 18.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 108.873 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.4 136.73 53.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.148 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 59.8 mt -92.69 135.5 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.733 ' HZ1' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -109.47 -23.41 11.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.639 -0.663 . . . . 0.0 110.751 -177.36 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -120.78 137.24 54.62 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.837 . . . . 0.0 109.709 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -60.86 -25.88 66.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.653 -0.655 . . . . 0.0 110.655 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -59.91 -37.0 78.17 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.996 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.16 -39.84 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.925 -1.109 . . . . 0.0 108.128 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.83 -33.86 66.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 O-C-N 121.875 -0.516 . . . . 0.0 110.076 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -66.77 -38.47 86.63 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.096 0.95 . . . . 0.0 109.663 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -69.91 -39.62 76.08 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.231 1.015 . . . . 0.0 108.348 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.67 -30.72 50.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.577 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -63.42 -36.92 85.33 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.66 -40.03 71.72 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.477 -1.389 . . . . 0.0 107.729 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -79.45 -42.73 24.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 0.0 111.598 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.425 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 10.4 mt -88.55 -16.57 32.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.825 -1.172 . . . . 0.0 110.863 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.5 t0 -80.74 58.61 3.37 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.0 -38.43 82.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 1.4 m-20 -73.55 -11.02 60.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.24 28.87 67.52 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 41.9 p-10 -107.17 5.07 27.43 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.244 -1.151 . . . . 0.0 109.997 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.458 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.64 2.4 85.2 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.6 mt-10 -136.19 132.47 35.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.796 -0.826 . . . . 0.0 108.87 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.26 44.84 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.47 164.88 22.13 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.341 -0.85 . . . . 0.0 109.301 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.437 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 3.3 t80 -49.13 -39.98 30.73 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.87 -46.76 88.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 110.423 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 36.2 mt-10 -60.08 -40.12 88.43 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 110.648 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.14 -36.16 79.26 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.076 -1.015 . . . . 0.0 109.011 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.437 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 83.5 mmm -59.99 -39.61 86.32 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.363 0.602 . . . . 0.0 110.715 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.06 -32.39 72.7 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.696 -1.253 . . . . 0.0 110.889 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.462 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 34.6 t80 -61.48 -38.06 85.91 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.865 -1.147 . . . . 0.0 109.74 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.75 -38.08 77.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.834 -0.541 . . . . 0.0 110.072 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.473 ' HG ' ' N ' ' B' ' 79' ' ' MET . 74.1 p -61.91 -40.0 93.96 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.235 -0.915 . . . . 0.0 109.441 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.473 ' N ' ' HG ' ' B' ' 78' ' ' SER . 33.9 mtp -70.07 -46.54 64.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.544 -0.723 . . . . 0.0 111.793 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.61 -37.82 79.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -60.06 -39.96 87.83 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.47 ' H ' ' HG1' ' B' ' 82' ' ' THR . 2.4 m -52.55 -39.27 61.27 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 88' ' ' PHE . 34.9 m -59.75 -33.1 71.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -59.95 -40.17 88.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.908 -1.12 . . . . 0.0 108.818 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.64 -37.75 82.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.434 -0.791 . . . . 0.0 109.75 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -94.04 -21.48 19.13 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.252 -0.905 . . . . 0.0 110.721 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 36.9 t80 -79.98 -10.01 59.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.907 -1.121 . . . . 0.0 110.368 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.73 88.23 4.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.528 -1.357 . . . . 0.0 109.458 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -61.04 -40.05 92.11 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.274 -0.891 . . . . 0.0 108.782 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.519 -0.738 . . . . 0.0 . 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.322 0.582 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . 0.578 ' CG ' ' H ' ' X' ' 94' ' ' LEU . 77.3 t60 53.76 -121.53 1.86 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.578 ' H ' ' CG ' ' X' ' 93' ' ' HIS . 82.6 mt -111.47 132.74 54.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -107.42 128.26 54.32 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.281 -0.887 . . . . 0.0 110.084 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 38.0 p -126.66 2.88 6.79 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.582 -0.699 . . . . 0.0 109.132 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.892 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -68.28 136.7 53.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.032 -1.042 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.29 30.2 0.14 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -98.87 136.51 38.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.243 -1.151 . . . . 0.0 109.571 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.513 ' O ' ' N ' ' X' ' 103' ' ' SER . 70.2 m -60.05 -36.84 78.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.528 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 13.1 t -40.5 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.448 0.642 . . . . 0.0 109.725 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.513 ' N ' ' O ' ' X' ' 101' ' ' SER . 33.0 t -47.73 -24.57 0.98 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.672 HH11 ' NZ ' ' A' ' 48' ' ' LYS . 98.5 mtt180 -59.98 -38.3 82.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.654 -0.654 . . . . 0.0 109.751 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.2 p-80 -58.65 -36.23 73.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.602 -1.311 . . . . 0.0 108.794 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 51.9 tptt -59.96 -27.94 67.24 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.85 -42.41 93.6 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.951 -1.093 . . . . 0.0 108.661 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' X' ' 110' ' ' PHE . 4.1 tp -69.11 -40.0 78.6 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -42.39 -24.43 0.05 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.807 -1.183 . . . . 0.0 110.198 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -44.01 -49.06 8.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.226 -0.921 . . . . 0.0 109.498 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -69.42 -34.58 74.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.646 -0.659 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 90.2 m -60.02 -39.92 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.451 -0.781 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.238 0.542 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.572 ' CG ' ' H ' ' Y' ' 94' ' ' LEU . 77.0 t60 53.78 -121.52 1.85 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.85 . . . . 0.0 110.263 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.572 ' H ' ' CG ' ' Y' ' 93' ' ' HIS . 84.8 mt -111.41 132.75 54.22 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -107.42 128.15 54.22 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.296 -0.878 . . . . 0.0 109.995 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 41.4 p -126.71 2.99 6.75 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.12 -40.0 88.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.908 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -68.1 136.49 53.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.242 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.52 29.96 0.13 Allowed Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.91 136.29 39.11 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.248 -1.148 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.499 ' O ' ' N ' ' Y' ' 103' ' ' SER . 75.6 m -59.86 -36.71 77.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.273 -0.892 . . . . 0.0 109.463 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.525 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 12.3 t -40.71 -24.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.564 0.697 . . . . 0.0 109.702 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.499 ' N ' ' O ' ' Y' ' 101' ' ' SER . 34.0 t -47.76 -24.65 1.01 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.733 HH11 ' HZ1' ' B' ' 48' ' ' LYS . 98.1 mtt180 -59.77 -38.38 81.68 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.615 -0.678 . . . . 0.0 109.755 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.61 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.0 p-80 -58.52 -36.36 73.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.661 -1.274 . . . . 0.0 108.795 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.0 tptt -59.99 -28.04 67.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.96 -41.98 93.1 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.938 -1.101 . . . . 0.0 108.646 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' Y' ' 110' ' ' PHE . 4.1 tp -69.35 -39.88 77.87 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -42.44 -24.48 0.06 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.842 -1.162 . . . . 0.0 110.183 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -44.04 -49.0 8.89 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.18 -0.95 . . . . 0.0 109.471 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.635 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.6 OUTLIER -69.63 -34.42 74.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 109.32 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.0 -39.84 87.15 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.523 -0.736 . . . . 0.0 . 179.226 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.142 0.496 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 3' ' ' LEU . 3.6 m 58.88 13.97 3.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.305 -0.872 . . . . 0.0 109.69 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -75.63 22.63 0.13 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 1' ' ' SER . 44.8 tp -70.98 -32.11 68.86 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 110.84 -178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -63.8 -39.47 94.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.815 -1.178 . . . . 0.0 111.026 -178.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 5.9 ptpt -72.11 -36.21 69.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.789 -1.194 . . . . 0.0 109.489 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.09 87.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.41 -0.806 . . . . 0.0 110.797 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mtt -62.94 -40.12 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.76 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.19 86.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.892 -0.505 . . . . 0.0 111.812 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -69.41 -39.95 79.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.84 -0.537 . . . . 0.0 111.255 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.4 t0 -59.95 -46.3 89.85 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.714 -1.241 . . . . 0.0 111.787 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -39.89 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.008 -1.058 . . . . 0.0 109.698 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.98 -38.3 75.81 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -70.02 -23.93 63.2 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -59.99 -43.44 95.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.623 -1.298 . . . . 0.0 110.154 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.402 ' OH ' ' OE1' ' A' ' 39' ' ' GLU . 60.6 m-85 -93.88 -36.68 12.1 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 120.764 -1.21 . . . . 0.0 111.886 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 t -59.99 -47.08 87.28 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.952 -1.093 . . . . 0.0 110.054 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.45 -5.29 89.91 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.06 -48.89 79.85 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.892 -1.358 . . . . 0.0 109.055 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.86 -73.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.33 -7.45 0.03 OUTLIER Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 9.9 m-20 -83.63 72.3 10.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -1.221 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -69.91 -40.03 75.82 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.219 -0.926 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.15 -20.04 56.06 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.257 -0.902 . . . . 0.0 111.421 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -143.63 158.08 43.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.864 -1.147 . . . . 0.0 109.625 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.17 133.17 55.56 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' CE ' ' HZ2' ' A' ' 26' ' ' LYS . 94.5 mttt -95.96 153.68 17.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -49.77 -22.61 1.47 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.3 t -74.49 -52.05 13.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.18 -36.15 82.69 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.99 -42.74 94.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.805 -0.56 . . . . 0.0 110.059 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.38 -40.05 89.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.089 -1.007 . . . . 0.0 110.215 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -66.72 -37.32 84.45 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.109 -0.995 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.66 -50.0 72.91 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.838 -1.164 . . . . 0.0 109.308 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.02 -45.57 48.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.582 -0.699 . . . . 0.0 111.661 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.95 -39.04 79.74 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.968 -1.083 . . . . 0.0 111.875 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.17 -35.11 10.49 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 113.311 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 3.7 tp10 -85.6 -11.99 52.61 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.186 -1.571 . . . . 0.0 110.448 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.43 47.73 2.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.211 -0.93 . . . . 0.0 108.673 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -65.28 -40.2 93.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 110.503 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.28 -31.29 6.02 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.288 -0.882 . . . . 0.0 110.072 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.61 -38.99 89.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.6 159.99 34.66 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -55.27 113.28 1.33 Allowed 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.401 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 149.21 45.36 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.959 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.7 mm -88.9 120.16 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HA ' ' HZ3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -98.14 -7.08 30.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.503 -0.748 . . . . 0.0 108.992 -177.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -139.91 138.71 35.86 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.893 . . . . 0.0 110.167 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -66.12 -22.35 66.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.7 pt-20 -60.05 -39.54 86.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.348 -0.845 . . . . 0.0 109.814 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.408 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 72.3 t -60.02 -39.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.231 -0.918 . . . . 0.0 108.624 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.18 -40.01 87.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.066 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.74 -39.95 93.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.364 -0.835 . . . . 0.0 109.83 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.23 -39.96 89.92 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.32 -32.59 57.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.079 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.43 -37.52 70.32 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -79.17 -45.37 20.07 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.165 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.36 -14.8 37.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 0.0 110.729 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.87 61.87 4.66 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.77 -39.54 85.19 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.719 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 55.6 p-10 -81.08 -7.01 59.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.139 -0.976 . . . . 0.0 109.407 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 35.66 90.72 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.002 -1.094 . . . . 0.0 110.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.4 p-10 -105.91 1.0 26.35 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.002 -1.293 . . . . 0.0 109.751 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.01 5.09 89.72 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.577 -1.809 . . . . 0.0 108.577 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.6 mt-10 -136.73 136.07 38.66 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.1 126.3 44.82 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.896 -1.128 . . . . 0.0 108.518 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.0 159.93 32.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.562 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -47.49 -39.98 17.32 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 109.053 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.93 -38.99 87.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.994 -1.066 . . . . 0.0 109.795 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.17 -40.02 90.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.937 -1.102 . . . . 0.0 110.17 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.708 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.97 -37.48 79.73 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.247 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.14 76.04 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.323 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.03 -40.17 88.42 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.994 -1.066 . . . . 0.0 110.416 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -37.65 73.16 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.762 -0.586 . . . . 0.0 110.135 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.462 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 9.0 m -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.491 -0.883 . . . . 0.0 108.996 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.433 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 89.6 mtp -61.76 -50.03 74.03 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.612 0.72 . . . . 0.0 112.046 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.07 -33.65 59.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 O-C-N 120.628 -1.295 . . . . 0.0 110.128 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -60.45 -39.99 89.52 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.266 -0.896 . . . . 0.0 109.109 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 m -54.3 -39.04 66.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.44 85.88 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.71 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 m -56.41 -33.9 66.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -60.04 -38.71 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.99 -37.81 80.76 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -82.97 -39.65 21.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.894 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.17 73.91 4.64 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -82.15 99.35 9.18 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -81.91 97.82 8.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 109.287 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 . 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.538 ' C ' ' H ' ' B' ' 3' ' ' LEU . 3.7 m 59.25 13.64 3.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.268 -0.895 . . . . 0.0 109.667 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.5 22.62 0.13 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' B' ' 1' ' ' SER . 45.0 tp -70.98 -32.31 69.11 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.057 -1.027 . . . . 0.0 110.844 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -63.59 -39.73 95.14 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.864 -1.148 . . . . 0.0 110.986 -178.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 6.0 ptpt -71.91 -36.26 69.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.801 -1.187 . . . . 0.0 109.544 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.11 87.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.364 -0.835 . . . . 0.0 110.845 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.1 mtt -62.8 -40.18 96.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.984 -1.073 . . . . 0.0 109.175 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -39.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.16 86.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.898 -0.501 . . . . 0.0 111.795 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -40.02 87.56 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -40.07 79.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 121.939 -0.476 . . . . 0.0 111.132 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 12' ' ' ASP . 60.8 t0 -59.91 -46.45 89.33 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.755 -1.215 . . . . 0.0 111.666 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.67 -39.9 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 120.936 -1.102 . . . . 0.0 109.785 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.99 -38.31 75.86 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.012 -1.055 . . . . 0.0 109.117 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -70.05 -23.78 63.15 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 110.443 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -60.03 -43.43 95.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.587 -1.321 . . . . 0.0 110.191 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.9 -36.84 12.01 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.806 -1.184 . . . . 0.0 111.883 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 t -59.99 -46.59 88.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.917 -1.114 . . . . 0.0 110.114 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 -5.32 90.17 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -48.96 79.53 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.872 -1.369 . . . . 0.0 109.028 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -88.71 -73.95 0.48 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.72 -7.91 0.03 OUTLIER Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.9 m-20 -83.13 72.07 10.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.147 -1.208 . . . . 0.0 109.736 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -69.9 -39.81 76.0 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.202 -0.936 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -77.43 -20.24 54.82 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.21 -0.931 . . . . 0.0 111.32 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.7 pttp -143.31 158.2 43.83 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.84 -1.162 . . . . 0.0 109.731 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.35 133.03 55.52 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 30' ' ' SER . 95.0 mttt -95.75 153.88 17.51 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.772 -1.205 . . . . 0.0 110.076 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -49.96 -22.73 1.66 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.435 ' N ' ' C ' ' B' ' 28' ' ' LYS . 41.0 t -74.27 -52.38 12.49 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.89 -36.38 83.12 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.01 -42.46 94.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.792 -0.568 . . . . 0.0 110.045 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.56 -39.97 89.89 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.027 . . . . 0.0 110.125 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.67 -37.44 84.77 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.171 -0.956 . . . . 0.0 109.766 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.69 -50.04 72.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.894 -1.129 . . . . 0.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.99 -45.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.478 -0.764 . . . . 0.0 111.475 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -69.09 -38.99 79.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 111.994 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -98.07 -35.56 10.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.237 -0.914 . . . . 0.0 113.287 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 3.7 tp10 -85.4 -11.57 54.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.265 -1.522 . . . . 0.0 110.418 -177.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -137.92 47.5 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.189 -0.945 . . . . 0.0 108.641 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.434 ' HG ' ' N ' ' B' ' 42' ' ' HIS . 83.2 p -65.43 -40.12 92.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 110.453 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.434 ' N ' ' HG ' ' B' ' 41' ' ' SER . 56.7 p-80 -115.21 -31.31 6.04 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.218 -0.926 . . . . 0.0 110.156 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.62 -39.16 90.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.0 109.705 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.31 160.02 34.33 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -55.32 113.26 1.33 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.17 149.06 46.27 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.508 0.671 . . . . 0.0 109.968 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mm -88.79 120.14 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.423 ' HZ2' ' HA ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -98.14 -6.85 30.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.462 -0.774 . . . . 0.0 109.064 -178.03 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.418 ' OE2' ' OG ' ' Y' ' 101' ' ' SER . 43.9 mt-10 -140.0 138.29 35.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.286 -0.884 . . . . 0.0 110.186 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.6 -22.67 66.69 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.7 pt-20 -59.99 -39.51 85.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.259 -0.901 . . . . 0.0 109.887 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 65.1 t -60.0 -39.96 81.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.17 -0.956 . . . . 0.0 108.646 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.06 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.011 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.77 -40.07 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.881 . . . . 0.0 109.791 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -66.12 -40.01 90.36 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.34 -32.52 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.582 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.8 mmm -69.94 -29.89 67.15 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.109 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.57 -37.04 70.02 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.7 m -79.62 -45.48 19.03 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.209 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.19 -14.64 38.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.775 -1.203 . . . . 0.0 110.722 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.6 t0 -80.95 61.89 4.73 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.74 -39.55 85.13 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.777 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -81.16 -7.01 59.48 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.346 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.19 35.58 90.62 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.87 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.4 p-10 -105.79 1.2 26.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.285 . . . . 0.0 109.777 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.09 4.67 89.75 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -136.38 136.15 39.37 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.26 126.28 45.05 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.858 -1.151 . . . . 0.0 108.558 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 160.0 32.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -47.61 -39.94 18.18 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.407 -0.808 . . . . 0.0 109.019 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.81 -39.22 87.65 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 109.832 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.95 -40.06 91.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.187 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.49 -31.4 70.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.116 -0.99 . . . . 0.0 109.799 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -59.94 -37.57 79.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 109.234 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.17 76.11 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.368 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.06 -40.08 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.976 -1.078 . . . . 0.0 110.495 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 O-C-N 121.733 -0.604 . . . . 0.0 110.071 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.462 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 8.2 m -67.45 -39.94 85.39 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.284 -0.885 . . . . 0.0 108.983 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' CD ' ' Y' ' 111' ' ' LYS . 89.6 mtp -61.83 -50.01 74.0 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.463 0.649 . . . . 0.0 112.074 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.12 -33.41 58.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 120.707 -1.246 . . . . 0.0 110.115 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.94 -40.01 91.67 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.293 -0.879 . . . . 0.0 109.191 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -54.3 -38.69 66.2 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.93 87.44 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.698 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.23 -33.89 65.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.0 -38.59 83.06 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.015 -1.053 . . . . 0.0 108.182 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.06 -37.71 80.66 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -83.0 -39.87 20.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.359 -0.838 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -92.98 73.87 4.77 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.96 99.3 9.02 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -81.81 97.88 8.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.472 -0.767 . . . . 0.0 109.301 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 0.0 . -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 74.9 m80 50.9 42.22 27.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.739 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' X' ' 94' ' ' LEU . 3.5 mm? -62.93 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.113 -0.992 . . . . 0.0 109.695 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' X' ' 94' ' ' LEU . 1.4 mppt? 43.1 -163.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.334 -0.854 . . . . 0.0 109.511 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -81.6 147.03 29.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.034 -1.041 . . . . 0.0 109.518 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' X' ' 98' ' ' LYS . 53.2 tptt -60.11 -40.05 88.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.341 -0.849 . . . . 0.0 110.207 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' X' ' 97' ' ' LYS . 29.4 ttmt 39.99 -130.02 0.34 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.613 -0.679 . . . . 0.0 110.059 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.15 162.57 29.82 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -79.88 158.89 26.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -1.096 . . . . 0.0 108.622 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 9.5 p -52.87 -27.26 17.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.142 -0.974 . . . . 0.0 110.125 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 11.6 p -49.96 -25.53 3.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.986 -1.072 . . . . 0.0 109.254 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 69.9 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.006 -1.059 . . . . 0.0 108.226 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.533 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -59.94 -40.01 87.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 109.057 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.59 ' NE2' ' SD ' ' X' ' 109' ' ' MET . 65.6 t60 -57.59 -38.64 75.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.982 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 0.0 109.383 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -71.07 -31.09 67.4 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.695 0.76 . . . . 0.0 109.771 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.59 ' SD ' ' NE2' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.87 -24.7 66.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.047 -1.033 . . . . 0.0 111.539 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.0 p90 -41.42 -48.43 3.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.991 -1.068 . . . . 0.0 110.941 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.43 -25.55 38.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.868 -1.145 . . . . 0.0 109.837 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 91.9 m -59.97 -39.97 87.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.651 -0.656 . . . . 0.0 . 179.669 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.299 0.571 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 75.1 m80 50.83 42.42 27.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.212 -0.93 . . . . 0.0 109.712 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' Y' ' 94' ' ' LEU . 3.5 mm? -63.18 -80.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.121 -0.987 . . . . 0.0 109.558 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' Y' ' 94' ' ' LEU . 1.2 mppt? 43.17 -163.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.331 -0.855 . . . . 0.0 109.432 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 94.6 p -81.76 146.93 29.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.002 -1.061 . . . . 0.0 109.604 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' Y' ' 98' ' ' LYS . 53.7 tptt -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.304 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' Y' ' 97' ' ' LYS . 30.3 ttmt 40.03 -129.96 0.34 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.612 -0.68 . . . . 0.0 110.097 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.17 162.39 29.67 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -79.69 159.08 26.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.343 -1.092 . . . . 0.0 108.649 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' B' ' 49' ' ' GLU . 11.2 p -53.16 -27.36 20.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.991 . . . . 0.0 110.125 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 10.1 p -49.69 -25.43 2.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.984 -1.072 . . . . 0.0 109.215 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 61.8 m -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 108.343 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.543 HH11 ' CG ' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.588 ' NE2' ' SD ' ' Y' ' 109' ' ' MET . 67.5 t60 -57.57 -38.83 75.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.239 -0.913 . . . . 0.0 108.995 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -59.91 -31.52 69.9 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.02 -40.26 88.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.041 -1.037 . . . . 0.0 109.399 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.85 -31.28 67.94 Favored 'General case' 0 N--CA 1.506 2.336 0 CA-C-O 121.715 0.769 . . . . 0.0 109.799 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.588 ' SD ' ' NE2' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.58 -24.82 65.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.03 -1.044 . . . . 0.0 111.549 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -41.43 -48.35 3.78 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.0 -1.063 . . . . 0.0 110.965 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.47 -25.54 38.81 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.972 -1.08 . . . . 0.0 109.752 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.653 -0.654 . . . . 0.0 . 179.689 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.401 ' H3 ' ' HG3' ' A' ' 2' ' ' GLU . 65.7 ttp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.346 0.593 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 3' ' ' LEU . 23.5 p 50.02 19.59 0.49 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.322 -0.862 . . . . 0.0 109.784 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' HG3' ' H3 ' ' A' ' 0' ' ' MET . 98.8 mt-10 -76.17 17.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.0 108.861 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.7 tp -59.73 -30.87 69.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CB ' ' CZ ' ' B' ' 43' ' ' PHE . 13.0 pt-20 -63.35 -39.17 93.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.162 -0.961 . . . . 0.0 109.413 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -64.25 -40.01 95.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.576 -0.702 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.06 -40.0 75.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 110.644 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.1 mtt -61.08 -40.05 92.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.138 -0.976 . . . . 0.0 109.384 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.83 -38.12 79.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.05 96.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.63 -0.669 . . . . 0.0 111.64 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.796 -1.19 . . . . 0.0 108.305 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.21 -40.09 84.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.87 -0.518 . . . . 0.0 111.094 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.29 -45.52 92.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.686 -1.259 . . . . 0.0 111.474 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -37.97 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.332 -0.855 . . . . 0.0 110.126 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 18' ' ' SER . 46.2 t80 -51.49 -41.56 61.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.737 -0.602 . . . . 0.0 109.641 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -78.82 -22.52 46.08 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.148 -0.97 . . . . 0.0 111.674 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.49 -40.82 75.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.919 -1.113 . . . . 0.0 111.514 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -120.83 -23.06 6.04 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.186 -0.946 . . . . 0.0 111.265 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 88.1 p -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.444 -1.41 . . . . 0.0 108.677 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -0.62 25.92 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.3 ttt-85 -61.12 -42.54 98.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -1.14 . . . . 0.0 109.468 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -113.96 165.08 12.97 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.626 0.727 . . . . 0.0 110.142 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.04 -28.99 13.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.8 m-20 -70.1 53.4 0.13 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.906 -1.349 . . . . 0.0 108.53 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' GLY . 12.7 tmtt? -62.25 -40.06 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.0 110.611 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.659 ' HD1' ' H ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.92 0.01 57.49 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.893 -1.129 . . . . 0.0 110.816 -178.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.637 ' HZ1' ' NE2' ' A' ' 25' ' ' HIS . 63.1 mttp -141.49 157.22 45.42 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.977 -1.077 . . . . 0.0 110.224 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.58 120.21 41.67 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.5 tttp -91.79 150.49 21.06 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 20.6 pttp -44.87 -23.37 0.13 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 108.507 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.475 ' N ' ' C ' ' A' ' 28' ' ' LYS . 63.3 m -77.92 -52.35 8.98 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.46 -36.13 83.18 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.98 -40.34 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.12 -37.99 81.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.326 -0.859 . . . . 0.0 109.155 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.99 -39.52 86.01 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.97 -50.46 73.66 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.12 -48.59 31.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.931 -1.106 . . . . 0.0 112.962 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 38.3 t-20 -80.97 -46.75 14.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.841 -1.162 . . . . 0.0 112.393 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -39.96 32.69 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.336 -0.853 . . . . 0.0 113.201 -176.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -89.26 -20.68 23.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.366 -1.459 . . . . 0.0 111.7 -177.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -122.19 57.6 1.06 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.097 -1.002 . . . . 0.0 109.611 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.18 -39.97 88.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -127.75 -23.25 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.245 -0.909 . . . . 0.0 110.425 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' B' ' 4' ' ' GLU . 42.6 t80 -62.04 -39.94 94.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.895 -1.128 . . . . 0.0 109.007 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 tp -126.84 160.0 32.22 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.7 pt-20 -55.15 112.36 1.06 Allowed 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.715 -1.194 . . . . 0.0 109.183 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.534 ' CD ' ' HZ3' ' A' ' 48' ' ' LYS . 87.1 tt0 -65.0 141.83 58.64 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.464 -0.773 . . . . 0.0 109.113 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 77.7 mt -98.03 134.44 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.119 -0.988 . . . . 0.0 108.729 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' HZ3' ' CD ' ' A' ' 46' ' ' GLU . 27.3 mmtt -106.47 -25.06 12.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.202 -0.936 . . . . 0.0 110.26 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -112.15 147.96 35.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.904 0.859 . . . . 0.0 111.095 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -72.65 -16.6 61.71 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.3 pt-20 -66.05 -40.02 90.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.372 -0.83 . . . . 0.0 110.561 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.3 t -60.06 -40.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.02 -34.15 68.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.62 -38.71 91.92 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.013 0.911 . . . . 0.0 109.737 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.99 -39.75 75.74 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.36 -27.64 37.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.16 -38.54 88.33 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.1 -39.71 72.56 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.297 -1.502 . . . . 0.0 107.655 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -77.93 -45.69 23.33 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.655 -0.653 . . . . 0.0 111.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 28.2 mt -90.39 -15.81 30.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.839 -1.163 . . . . 0.0 111.223 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.1 t0 -81.07 61.59 4.7 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -59.98 -38.4 82.42 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 64.9 m-20 -75.6 -11.27 59.98 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.14 71.89 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 44.2 p-10 -106.98 8.32 30.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.389 -1.066 . . . . 0.0 110.004 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.5 6.96 82.27 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 40.5 mt-10 -138.63 125.97 21.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.762 -0.846 . . . . 0.0 108.729 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.7 p -94.87 128.36 41.58 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.81 160.04 33.28 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.452 -0.78 . . . . 0.0 110.073 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 4.9 t80 -47.58 -38.69 14.92 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.439 -0.788 . . . . 0.0 109.152 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -66.93 -38.59 86.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.722 -1.236 . . . . 0.0 109.606 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 39.8 mt-10 -66.81 -42.81 85.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 0.0 110.318 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -64.65 -35.85 82.35 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.038 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.421 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.4 mmm -59.95 -38.12 81.55 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.357 0.599 . . . . 0.0 110.424 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.731 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.99 -38.53 82.87 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.959 -1.088 . . . . 0.0 109.574 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.8 t -60.02 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.249 0.547 . . . . 0.0 109.992 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 78.5 p -61.36 -39.99 92.63 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.427 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.42 ' N ' ' HG ' ' A' ' 78' ' ' SER . 75.9 mtp -68.73 -43.47 75.86 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.63 -0.668 . . . . 0.0 111.862 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HA ' ' HZ2' ' X' ' 111' ' ' LYS . 61.4 t -68.52 -34.74 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.899 -1.126 . . . . 0.0 110.755 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.8 m -61.33 -39.95 92.43 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.159 -0.963 . . . . 0.0 108.674 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.18 -39.9 67.04 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.16 84.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.293 -0.879 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -60.02 -37.84 80.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -58.46 -39.35 79.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.963 -1.086 . . . . 0.0 109.178 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -59.97 -39.52 85.94 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.248 -0.907 . . . . 0.0 108.955 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.13 -39.35 14.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.219 -0.926 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.41 68.36 4.14 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.63 99.53 11.35 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.19 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -65.72 -40.0 91.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.542 -0.723 . . . . 0.0 110.124 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.186 -0.946 . . . . 0.0 . -179.388 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 3' ' ' LEU . 25.8 p 49.96 19.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.0 109.738 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.16 16.94 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 0.0 108.731 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 1' ' ' SER . 55.9 tp -59.35 -31.01 68.8 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . 13.3 pt-20 -63.43 -39.14 93.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 0.0 109.401 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.38 -39.95 94.87 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.576 -0.702 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 0.0 110.687 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.3 mtt -60.98 -40.0 91.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.083 -1.011 . . . . 0.0 109.404 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.15 -37.9 78.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.0 95.8 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.538 -0.727 . . . . 0.0 111.608 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.795 -1.191 . . . . 0.0 108.309 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.41 HG22 HD13 ' B' ' 11' ' ' ILE . 91.6 mt -67.35 -39.98 83.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.825 -0.547 . . . . 0.0 111.031 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.25 -45.61 92.51 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.619 -1.301 . . . . 0.0 111.475 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -38.47 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.418 -0.801 . . . . 0.0 110.132 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 46.8 t80 -51.14 -41.58 60.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.697 -0.627 . . . . 0.0 109.664 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -78.81 -22.34 46.4 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.185 -0.947 . . . . 0.0 111.701 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.62 -40.9 76.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.942 -1.098 . . . . 0.0 111.48 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -120.77 -23.11 6.06 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.293 -0.879 . . . . 0.0 111.217 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 87.4 p -60.05 -40.0 87.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.386 -1.446 . . . . 0.0 108.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.43 -0.97 26.37 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' B' ' 20' ' ' ARG . 37.9 ttt-85 -60.96 -42.4 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -114.13 165.2 12.9 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.606 0.717 . . . . 0.0 110.147 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.98 -29.3 14.08 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.8 m-20 -70.0 53.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.937 -1.331 . . . . 0.0 108.588 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' B' ' 22' ' ' GLY . 12.8 tmtt? -62.5 -40.04 95.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.321 -0.862 . . . . 0.0 110.577 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.836 ' NE2' ' HZ2' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -91.95 -0.02 57.48 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.933 -1.105 . . . . 0.0 110.805 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.836 ' HZ2' ' NE2' ' B' ' 25' ' ' HIS . 63.0 mttp -141.43 157.24 45.42 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 110.254 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.55 120.26 41.85 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' B' ' 30' ' ' SER . 64.3 tttp -91.67 150.51 21.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -44.9 -23.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.957 -1.09 . . . . 0.0 108.491 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' C ' ' B' ' 28' ' ' LYS . 57.8 m -77.83 -52.56 8.69 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.51 -35.79 82.09 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.04 -40.54 89.72 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' B' ' 50' ' ' GLN . 87.9 tttt -60.02 -37.96 81.27 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 109.187 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.01 -39.58 86.26 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.0 -50.17 74.78 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -75.14 -48.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.093 0 O-C-N 121.023 -1.048 . . . . 0.0 112.96 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 38.1 t-20 -80.71 -46.84 14.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.859 -1.151 . . . . 0.0 112.424 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -39.98 32.66 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.361 -0.837 . . . . 0.0 113.219 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.24 -20.62 23.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.379 -1.451 . . . . 0.0 111.682 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -122.4 57.44 1.08 Allowed 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.126 -0.984 . . . . 0.0 109.672 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.6 p -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.215 -0.928 . . . . 0.0 110.249 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -127.58 -22.99 3.52 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.261 -0.9 . . . . 0.0 110.421 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 4' ' ' GLU . 42.2 t80 -62.23 -39.94 94.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 109.081 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -126.86 160.03 32.16 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 11.6 pt-20 -55.18 112.5 1.09 Allowed 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.736 -1.186 . . . . 0.0 109.191 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.497 ' CD ' ' HZ2' ' B' ' 48' ' ' LYS . 87.4 tt0 -65.1 141.67 58.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.536 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 81.2 mt -97.85 134.25 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 108.727 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.497 ' HZ2' ' CD ' ' B' ' 46' ' ' GLU . 24.9 mmtt -106.28 -25.35 11.99 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.222 -0.924 . . . . 0.0 110.225 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -112.15 148.0 34.93 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.926 0.869 . . . . 0.0 111.095 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.513 ' OE1' ' NZ ' ' B' ' 33' ' ' LYS . 11.0 mm100 -72.5 -16.68 61.79 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.2 pt-20 -65.96 -40.04 90.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.36 -0.837 . . . . 0.0 110.53 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 75.2 t -60.13 -39.96 82.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.2 t -66.86 -34.67 71.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.26 -38.67 91.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.997 0.903 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.404 ' HD3' ' HD1' ' Y' ' 105' ' ' HIS . 64.5 tttm -70.0 -39.77 75.67 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 122.162 0.982 . . . . 0.0 108.355 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.1 -28.09 39.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.05 -38.51 88.56 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.27 -39.58 72.86 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.346 -1.471 . . . . 0.0 107.589 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -77.84 -45.66 23.7 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.676 -0.64 . . . . 0.0 111.658 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 27.8 mt -90.34 -16.1 29.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.793 -1.192 . . . . 0.0 111.271 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.3 t0 -80.84 61.6 4.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -59.88 -38.43 82.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.54 -11.21 59.98 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.95 31.14 71.46 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.9 p-10 -107.09 8.29 30.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.35 -1.088 . . . . 0.0 110.005 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 75.66 6.7 82.07 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 39.2 mt-10 -138.59 126.1 21.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 3.6 p -94.87 128.19 41.45 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.62 160.06 33.33 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.445 -0.784 . . . . 0.0 110.053 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.418 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 4.9 t80 -47.55 -38.76 14.84 Favored 'General case' 0 C--O 1.203 -1.366 0 O-C-N 121.407 -0.808 . . . . 0.0 109.135 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.89 -38.66 86.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.797 -1.189 . . . . 0.0 109.653 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 39.8 mt-10 -66.66 -42.74 86.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.925 -1.109 . . . . 0.0 110.281 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -64.49 -36.19 83.39 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.34 -0.85 . . . . 0.0 108.985 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.418 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 77.4 mmm -60.02 -37.92 81.18 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.25 0.547 . . . . 0.0 110.414 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -67.22 -34.05 76.65 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.85 -1.157 . . . . 0.0 110.758 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.0 -38.51 82.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.977 -1.077 . . . . 0.0 109.445 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.0 -39.82 81.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.213 0.53 . . . . 0.0 110.056 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 77.0 p -61.29 -40.02 92.58 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 109.38 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 75.7 mtp -68.53 -43.75 76.06 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.724 -0.61 . . . . 0.0 111.876 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.404 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 62.3 t -68.35 -35.01 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.829 -1.17 . . . . 0.0 110.771 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -61.04 -40.03 92.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.157 -0.964 . . . . 0.0 108.67 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.36 -40.0 67.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.95 83.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 108.856 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.7 m -59.95 -37.74 80.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.474 -0.766 . . . . 0.0 109.952 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -58.49 -39.62 80.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.981 -1.074 . . . . 0.0 109.157 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.01 -39.21 85.03 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 108.956 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -88.18 -39.46 14.49 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.138 -0.977 . . . . 0.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.36 68.14 4.15 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.2 99.42 11.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.327 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -65.88 -40.0 91.21 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.557 -0.714 . . . . 0.0 110.087 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.198 -0.939 . . . . 0.0 . -179.447 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 51.05 42.18 28.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 109.239 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 143.36 56.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.951 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 135.27 55.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 0.0 109.908 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 16.0 m -155.78 160.87 40.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 56.92 72.47 0.51 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.318 -0.864 . . . . 0.0 109.237 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.99 -39.96 87.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.09 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.53 43.77 0.18 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.704 -1.236 . . . . 0.0 110.066 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.98 148.47 26.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.076 -1.249 . . . . 0.0 109.455 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.458 ' O ' ' N ' ' X' ' 103' ' ' SER . 58.2 m -60.01 -38.19 81.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 0.0 109.33 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -41.91 -24.9 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.494 -0.754 . . . . 0.0 110.051 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.458 ' N ' ' O ' ' X' ' 101' ' ' SER . 72.6 m -60.37 -26.95 67.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.226 -0.921 . . . . 0.0 109.051 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -60.06 -35.97 76.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 0.0 109.813 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.826 -1.171 . . . . 0.0 108.626 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.53 -30.62 68.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.278 -0.889 . . . . 0.0 108.946 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -57.16 -40.0 76.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.69 -1.256 . . . . 0.0 107.648 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.582 ' CG ' ' HZ3' ' X' ' 111' ' ' LYS . 5.8 tt -70.02 -40.01 75.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.644 -0.66 . . . . 0.0 109.73 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -43.17 -24.51 0.08 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 110.197 -179.444 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -41.05 -48.09 3.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 110.057 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.582 ' HZ3' ' CG ' ' X' ' 108' ' ' LEU . 9.4 ptpt -75.25 -31.5 60.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.204 -0.935 . . . . 0.0 109.624 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 36.4 m -60.04 -39.85 87.36 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.598 -0.689 . . . . 0.0 . 179.416 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 50.83 42.01 27.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.331 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.72 143.31 57.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . 0.476 ' C ' ' HG ' ' Y' ' 96' ' ' SER . 69.7 mmtt -64.83 135.23 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.833 . . . . 0.0 109.937 -179.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . 0.476 ' HG ' ' C ' ' Y' ' 95' ' ' LYS . 16.8 m -155.68 160.88 40.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.522 -0.736 . . . . 0.0 109.035 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 56.81 72.45 0.51 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.307 -0.871 . . . . 0.0 109.276 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -59.98 -40.04 87.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.207 -0.933 . . . . 0.0 109.042 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 43.86 0.18 Allowed Glycine 0 N--CA 1.491 2.315 0 C-N-CA 119.705 -1.235 . . . . 0.0 110.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -84.08 148.28 26.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -1.218 . . . . 0.0 109.431 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' Y' ' 103' ' ' SER . 55.6 m -60.03 -37.95 81.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 109.439 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -42.12 -24.91 0.06 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.501 -0.749 . . . . 0.0 110.01 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' Y' ' 101' ' ' SER . 71.3 m -60.24 -26.96 66.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 0.0 109.042 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -60.02 -36.19 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.353 -0.842 . . . . 0.0 109.786 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.404 ' HD1' ' HD3' ' B' ' 55' ' ' LYS . 12.2 t-80 -59.92 -39.85 86.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.842 -1.161 . . . . 0.0 108.679 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -59.43 -30.83 68.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.908 . . . . 0.0 109.029 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -57.17 -39.97 76.38 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.577 ' CG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.9 tt -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.65 -0.656 . . . . 0.0 109.705 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -43.15 -24.62 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.967 -1.083 . . . . 0.0 110.268 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -41.03 -47.92 3.16 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.329 -0.857 . . . . 0.0 110.076 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.582 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 9.5 ptpt -75.35 -31.62 60.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 0.0 109.542 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -60.04 -39.35 85.61 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 . 179.249 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 2' ' ' GLU . 68.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 3' ' ' LEU . 52.8 p 50.74 10.38 0.06 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.178 -0.951 . . . . 0.0 109.7 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 0' ' ' MET . 17.5 pt-20 -75.73 18.63 0.24 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.9 tt -60.04 -37.65 80.43 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.33 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.96 -37.92 80.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.134 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.01 -40.82 96.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.414 -0.804 . . . . 0.0 109.536 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.98 86.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 110.643 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 mtt -62.56 -39.99 95.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.65 -36.84 77.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-O 121.359 0.599 . . . . 0.0 109.413 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.02 87.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 111.556 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.718 -1.239 . . . . 0.0 108.605 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -69.04 -38.82 78.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 110.62 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -61.44 -49.54 76.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.769 -1.207 . . . . 0.0 111.434 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.88 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.86 -38.73 82.95 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.003 -1.061 . . . . 0.0 109.379 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.487 ' CD2' ' CE1' ' B' ' 90' ' ' HIS . 39.4 t-80 -66.04 -30.21 70.69 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.296 -0.878 . . . . 0.0 110.084 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -59.96 -41.12 91.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 110.344 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -94.75 -21.54 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.871 -1.143 . . . . 0.0 111.656 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.2 p -57.13 -40.04 76.34 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.635 -1.291 . . . . 0.0 107.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.73 39.47 2.95 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.59 -64.68 0.94 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.733 -1.451 . . . . 0.0 109.901 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -114.66 -19.54 11.05 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.42 -0.8 . . . . 0.0 109.49 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.46 -14.62 1.83 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' LYS . 4.6 m-20 -76.01 58.36 1.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.824 -1.397 . . . . 0.0 108.541 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.35 -39.95 88.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.42 -0.8 . . . . 0.0 109.989 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -79.73 -20.87 45.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.345 -0.847 . . . . 0.0 111.323 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 mtmm -140.39 151.44 44.94 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.8 -1.187 . . . . 0.0 110.608 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.95 134.58 49.89 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.333 -0.854 . . . . 0.0 108.702 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.8 tttp -101.46 145.81 28.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 108.743 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.4 pttp -41.8 -23.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.825 0.821 . . . . 0.0 109.337 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.5 m -76.7 -54.66 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 99.0 mt-10 -61.36 -35.99 78.96 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.99 -41.43 92.04 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.685 -0.635 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.678 ' NZ ' HD21 ' A' ' 37' ' ' ASN . 63.2 tttm -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.09 -1.006 . . . . 0.0 109.917 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.6 mp0 -65.95 -36.93 84.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 108.966 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.2 tm? -60.73 -46.81 89.0 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.638 -1.289 . . . . 0.0 108.637 178.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 36' ' ' ILE . 88.4 mt -72.63 -51.46 28.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.85 -0.532 . . . . 0.0 111.972 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.678 HD21 ' NZ ' ' A' ' 33' ' ' LYS . 98.4 m-20 -73.53 -48.66 31.38 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.286 -0.966 . . . . 0.0 112.451 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -44.68 38.07 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 6.5 tp10 -83.23 -15.41 50.47 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.338 -1.476 . . . . 0.0 111.033 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 44' ' ' LEU . 6.3 mt -138.53 49.93 1.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.902 -1.124 . . . . 0.0 110.075 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.9 p -63.07 -44.96 94.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.051 -1.031 . . . . 0.0 109.425 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.11 -38.66 8.85 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.307 -0.871 . . . . 0.0 110.055 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.331 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -125.23 134.97 52.13 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 178.248 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.548 ' O ' ' NH2' ' X' ' 104' ' ' ARG . 16.6 pt-20 -52.0 117.0 2.46 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.45 -1.406 . . . . 0.0 109.168 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -51.27 150.58 3.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 110.301 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 6.0 mm -84.28 141.25 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -107.63 -17.6 14.05 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.287 -0.883 . . . . 0.0 110.736 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -139.98 141.82 36.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.92 -1.113 . . . . 0.0 109.904 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.98 -27.96 67.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.713 -0.617 . . . . 0.0 110.997 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.99 -38.71 83.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.008 -1.057 . . . . 0.0 110.502 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.022 -1.048 . . . . 0.0 108.783 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.32 -38.58 82.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 64.7 t0 -65.3 -35.94 82.54 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 110.17 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.82 -32.72 59.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.621 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.83 67.09 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.528 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.06 -40.03 83.89 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 119.947 -1.721 . . . . 0.0 106.647 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -74.51 -42.87 58.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.785 -0.572 . . . . 0.0 111.305 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 39.0 mt -89.53 -16.79 29.93 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.721 -1.237 . . . . 0.0 110.54 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 57' ' ' MET . 58.1 t0 -81.42 62.3 5.26 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.89 -39.8 86.57 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.675 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -80.99 -7.29 59.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.238 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.48 85.09 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.0 p-10 -105.71 0.42 26.24 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.088 -1.242 . . . . 0.0 110.045 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.8 5.29 83.72 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.507 -1.837 . . . . 0.0 108.507 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 63.7 mt-10 -137.86 134.52 35.18 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.93 128.89 48.14 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -79.43 172.76 13.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 110.31 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -49.02 -40.04 29.34 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 121.317 -0.865 . . . . 0.0 109.147 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.46 -53.04 48.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.907 -1.121 . . . . 0.0 110.47 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 88.8 mt-10 -61.14 -40.36 93.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.016 . . . . 0.0 111.005 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.86 -36.96 86.04 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.962 -1.086 . . . . 0.0 109.517 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.9 mmm -59.91 -38.79 83.33 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.667 -0.645 . . . . 0.0 110.828 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.01 -30.08 69.24 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.751 -1.218 . . . . 0.0 110.735 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 108.975 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.0 t -60.25 -39.86 81.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 t -66.73 -39.91 88.14 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.554 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.8 mtp -70.04 -41.19 74.54 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.41 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.6 -33.15 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.497 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -40.05 87.95 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -56.87 -37.82 71.87 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.79 83.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.1 m -59.99 -32.87 71.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.553 -0.717 . . . . 0.0 109.484 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.28 -45.95 86.97 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.877 -1.14 . . . . 0.0 108.719 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.084 -1.01 . . . . 0.0 108.775 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.1 -52.49 14.07 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 110.117 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 8.2 t80 -93.91 68.3 3.83 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -82.28 97.78 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.361 -0.837 . . . . 0.0 109.286 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.512 ' ND1' ' N ' ' A' ' 91' ' ' GLU . 21.8 p80 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 109.429 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' ND1' ' A' ' 90' ' ' HIS . 81.3 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.738 -0.601 . . . . 0.0 . -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.514 ' C ' ' H ' ' B' ' 2' ' ' GLU . 68.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 3' ' ' LEU . 54.4 p 50.97 10.28 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.169 -0.957 . . . . 0.0 109.71 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' B' ' 0' ' ' MET . 17.6 pt-20 -75.69 18.51 0.24 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.08 -37.26 79.41 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.46 -0.775 . . . . 0.0 109.4 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.09 -38.07 81.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.116 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -61.8 -40.68 96.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.05 85.9 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.325 -0.859 . . . . 0.0 110.522 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.8 mtt -62.51 -40.02 95.39 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 109.808 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -36.8 77.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.372 0.606 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.99 87.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.729 . . . . 0.0 111.423 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.0 -39.99 87.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.707 -1.246 . . . . 0.0 108.658 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.16 -38.8 78.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.667 -0.646 . . . . 0.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -61.57 -49.1 78.0 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.795 -1.191 . . . . 0.0 111.362 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -39.77 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.255 -0.903 . . . . 0.0 110.209 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.92 -38.63 82.88 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.022 -1.048 . . . . 0.0 109.363 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.437 ' CD2' ' CE1' ' A' ' 90' ' ' HIS . 41.0 t-80 -66.01 -30.23 70.74 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -59.99 -41.02 91.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.306 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -94.92 -21.42 18.65 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.909 -1.119 . . . . 0.0 111.638 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -57.08 -40.04 76.17 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.664 -1.273 . . . . 0.0 107.815 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.92 39.63 2.97 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -64.46 0.99 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.682 -1.481 . . . . 0.0 109.921 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -114.43 -20.17 10.9 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.457 -0.777 . . . . 0.0 109.573 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.73 -14.43 1.77 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 26' ' ' LYS . 4.5 m-20 -76.07 58.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.889 -1.359 . . . . 0.0 108.53 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -60.22 -39.99 88.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -79.63 -20.84 45.8 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.448 -0.783 . . . . 0.0 111.325 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.7 mtmm -140.89 151.56 44.37 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.815 -1.178 . . . . 0.0 110.665 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.73 134.69 49.5 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 108.773 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 30' ' ' SER . 56.9 tttp -101.34 145.93 28.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 108.837 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 18.1 pttp -42.0 -23.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.308 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.499 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -77.21 -54.73 6.13 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 98.2 mt-10 -60.98 -36.12 78.6 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.03 -41.43 92.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.677 -0.639 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.672 ' NZ ' HD21 ' B' ' 37' ' ' ASN . 62.8 tttm -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.019 -1.051 . . . . 0.0 109.955 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.6 mp0 -65.94 -36.77 84.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.149 -0.969 . . . . 0.0 109.042 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -60.8 -47.05 88.11 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.652 -1.28 . . . . 0.0 108.606 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.24 -51.51 29.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.758 -0.589 . . . . 0.0 112.011 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.672 HD21 ' NZ ' ' B' ' 33' ' ' LYS . 98.5 m-20 -73.36 -48.98 29.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.139 -0.976 . . . . 0.0 112.436 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -44.98 39.31 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -176.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' A' ' 1' ' ' SER . 6.1 tp10 -83.27 -14.83 52.31 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.324 -1.485 . . . . 0.0 111.012 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' B' ' 44' ' ' LEU . 6.6 mt -138.88 49.53 1.87 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.951 -1.093 . . . . 0.0 110.059 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -63.02 -44.95 94.55 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 109.425 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.05 -38.49 8.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.402 -0.812 . . . . 0.0 110.117 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.278 -0.889 . . . . 0.0 109.288 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -125.77 135.18 51.74 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.523 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 16.7 pt-20 -51.87 116.9 2.38 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.208 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.06 150.39 3.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.555 -0.716 . . . . 0.0 110.184 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.462 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 5.1 mm -84.07 141.32 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -107.47 -17.82 14.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.338 -0.851 . . . . 0.0 110.767 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -139.94 141.74 36.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.961 -1.087 . . . . 0.0 109.929 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -60.07 -27.65 67.14 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.722 -0.611 . . . . 0.0 111.029 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -60.08 -38.89 84.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.012 -1.055 . . . . 0.0 110.344 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.05 -39.93 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.04 -1.037 . . . . 0.0 108.75 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.8 t -65.26 -38.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.664 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 63.9 t0 -65.25 -36.32 83.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.374 -0.829 . . . . 0.0 110.2 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.24 -40.04 86.25 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.95 -32.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.632 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.95 67.24 Favored 'General case' 0 C--O 1.197 -1.679 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.503 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.92 -39.97 83.13 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.971 -1.706 . . . . 0.0 106.721 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -74.6 -42.98 57.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.743 -0.598 . . . . 0.0 111.219 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 39.1 mt -89.52 -16.61 30.34 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.78 -1.2 . . . . 0.0 110.487 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.632 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.3 t0 -81.53 62.31 5.35 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.0 -39.72 86.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.625 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -80.97 -7.35 59.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.252 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.67 37.33 84.55 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.322 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 44.9 p-10 -105.62 0.57 26.56 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.138 -1.213 . . . . 0.0 110.124 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.533 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 76.71 5.07 83.0 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -137.45 134.49 35.88 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -102.23 128.59 48.68 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -79.58 172.45 13.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.147 -0.971 . . . . 0.0 110.345 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -48.63 -39.97 26.03 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.448 -0.783 . . . . 0.0 109.226 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.92 -52.74 47.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.834 -1.166 . . . . 0.0 110.439 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.0 mt-10 -61.36 -40.19 93.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 111.003 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.9 -36.89 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.001 -1.062 . . . . 0.0 109.496 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 65.3 mmm -60.02 -38.68 83.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.703 -0.623 . . . . 0.0 110.818 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.1 69.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.758 -1.213 . . . . 0.0 110.77 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.042 -1.036 . . . . 0.0 109.002 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.9 t -60.25 -39.64 81.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -66.88 -40.01 87.66 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.579 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 37.6 mtp -69.95 -40.92 75.15 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 111.428 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.8 -33.33 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.922 -1.111 . . . . 0.0 109.594 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.01 87.56 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -56.77 -37.6 71.31 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.12 84.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.9 m -59.99 -32.68 71.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.537 -0.727 . . . . 0.0 109.43 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -58.33 -46.09 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.886 -1.134 . . . . 0.0 108.756 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.26 -40.03 92.55 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.02 . . . . 0.0 108.666 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -73.05 -52.7 13.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.598 -0.689 . . . . 0.0 110.098 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 7.7 t80 -93.84 68.35 3.87 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -82.2 97.76 8.4 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.421 -0.8 . . . . 0.0 109.33 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.516 ' ND1' ' N ' ' B' ' 91' ' ' GLU . 21.8 p80 -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.259 -0.9 . . . . 0.0 109.417 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.516 ' N ' ' ND1' ' B' ' 90' ' ' HIS . 85.1 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.748 -0.595 . . . . 0.0 . -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -70.02 -20.91 63.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.365 -0.834 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.02 156.85 33.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.434 -0.791 . . . . 0.0 109.442 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.7 165.43 28.09 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -59.99 135.45 57.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.6 -59.2 3.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.85 . . . . 0.0 109.211 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -178.38 -22.17 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.87 174.19 39.52 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -135.93 140.74 44.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.196 -1.179 . . . . 0.0 110.127 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 53.8 m -70.04 -24.9 63.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.468 -0.77 . . . . 0.0 109.249 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.554 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 26.4 m -49.17 -27.47 3.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 108.906 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 59.2 m -59.28 -32.75 70.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.435 -0.791 . . . . 0.0 109.403 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -51.14 -26.99 7.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.015 -1.053 . . . . 0.0 109.381 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 3.5 p-80 -60.0 -39.98 87.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.71 -1.244 . . . . 0.0 108.067 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.615 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 6.3 tmtm? -59.99 -31.52 69.99 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 109.121 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.05 -24.79 47.62 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.252 -0.905 . . . . 0.0 109.554 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.476 ' O ' ' N ' ' X' ' 112' ' ' THR . 29.9 mmt -59.55 -24.52 63.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.684 -1.26 . . . . 0.0 109.496 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.1 p90 -43.78 -43.99 6.46 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.953 -1.092 . . . . 0.0 109.259 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.8 pttt -68.49 -33.89 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.442 -0.787 . . . . 0.0 108.956 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.476 ' N ' ' O ' ' X' ' 109' ' ' MET . 86.1 m -60.64 -40.03 90.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.584 -0.698 . . . . 0.0 109.357 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 . 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . 0.42 ' H2 ' ' H ' ' Y' ' 93' ' ' HIS . 28.8 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.42 ' H ' ' H2 ' ' Y' ' 92' ' ' SER . 85.9 m-70 -69.99 -21.1 63.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 109.152 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 10.3 mp -75.96 156.95 33.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.5 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.74 165.36 28.29 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -59.99 135.68 57.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.208 -0.932 . . . . 0.0 109.805 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.75 -58.99 3.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.088 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -178.69 -22.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.83 174.19 39.58 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.02 140.86 44.19 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.17 -1.194 . . . . 0.0 109.981 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 56.6 m -70.0 -24.84 63.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.517 -0.739 . . . . 0.0 109.321 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 29.3 m -49.11 -27.75 3.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.795 . . . . 0.0 108.904 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -58.95 -32.86 69.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.564 -0.71 . . . . 0.0 109.502 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -51.33 -26.83 8.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.041 -1.037 . . . . 0.0 109.395 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 3.7 p-80 -59.95 -39.98 87.41 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 118.736 -1.186 . . . . 0.0 107.955 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 6.4 tmtm? -59.99 -31.6 70.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.084 -1.01 . . . . 0.0 109.212 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.04 -24.77 47.66 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.468 ' O ' ' N ' ' Y' ' 112' ' ' THR . 29.3 mmt -59.52 -24.44 63.66 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.769 -1.207 . . . . 0.0 109.504 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -44.0 -44.08 7.07 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.871 -1.143 . . . . 0.0 109.246 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.7 pttt -68.24 -34.45 76.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.384 -0.822 . . . . 0.0 108.877 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.468 ' N ' ' O ' ' Y' ' 109' ' ' MET . 87.5 m -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.52 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 0.0 . 179.86 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 3' ' ' LEU . 7.6 t 59.53 25.02 13.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.801 . . . . 0.0 109.419 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.44 8.94 2.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.032 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 1' ' ' SER . 3.4 tm? -45.82 -24.68 0.41 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.586 -0.696 . . . . 0.0 109.319 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.32 -39.45 89.28 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.037 -1.04 . . . . 0.0 110.668 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -80.36 -29.95 37.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.985 -1.072 . . . . 0.0 109.583 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.39 -42.06 72.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.319 -0.863 . . . . 0.0 111.832 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.419 ' SD ' ' SG ' ' B' ' 84' ' ' CYS . 39.5 mtt -72.45 -36.14 68.46 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.719 -1.238 . . . . 0.0 109.767 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 -39.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.741 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.33 69.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.282 -0.886 . . . . 0.0 111.023 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.95 -40.1 87.84 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.89 -39.71 82.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.484 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.12 -41.41 92.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.822 -1.174 . . . . 0.0 111.428 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -40.32 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.165 -0.96 . . . . 0.0 110.346 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.25 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.36 -36.21 79.59 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.525 -0.735 . . . . 0.0 111.086 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -60.03 -40.4 89.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.698 -1.252 . . . . 0.0 110.834 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 35' ' ' LEU . 47.8 m-85 -86.12 -33.49 20.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.759 -1.213 . . . . 0.0 112.073 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 p -60.19 -40.02 88.56 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.747 -1.22 . . . . 0.0 109.426 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.9 5.69 78.04 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.98 -47.42 85.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.976 -1.308 . . . . 0.0 110.544 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -99.68 -53.7 3.12 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.075 -1.015 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.37 -22.93 0.14 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.56 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.5 m-20 -82.49 78.35 9.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.782 -1.422 . . . . 0.0 109.156 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.91 -39.91 94.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -79.95 -10.78 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.891 . . . . 0.0 111.12 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.4 ttmm -141.54 139.55 33.24 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.864 -1.147 . . . . 0.0 110.206 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -108.46 128.74 55.06 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 30' ' ' SER . 49.6 mtmt -97.58 157.54 15.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.762 -1.211 . . . . 0.0 109.683 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -50.02 -23.36 2.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 70.3 m -75.69 -49.52 18.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.46 0.648 . . . . 0.0 109.304 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -66.41 -33.07 74.89 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.88 -41.47 96.08 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.76 -34.59 75.84 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.994 -1.066 . . . . 0.0 109.33 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 8.6 tt -65.25 -49.29 70.19 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.831 -1.168 . . . . 0.0 109.188 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.4 mt -70.47 -47.39 65.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.396 -0.815 . . . . 0.0 111.169 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -68.98 -38.48 79.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.765 -1.209 . . . . 0.0 111.766 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' ' 38' ' ' ASN . 0.6 OUTLIER -98.83 -32.59 11.27 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.209 -0.932 . . . . 0.0 113.291 -176.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tm-20 -79.62 -14.24 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.104 -1.623 . . . . 0.0 108.547 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 29.8 mt -114.1 62.11 0.66 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 88.3 p -60.05 -39.83 87.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.128 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 23.4 t-160 -137.5 3.56 2.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.145 -0.972 . . . . 0.0 110.294 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -49.51 75.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 109.034 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.68 177.19 11.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.068 -1.02 . . . . 0.0 110.857 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' GLU . 54.9 tp10 -53.99 99.95 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.705 0.764 . . . . 0.0 109.5 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 53.5 mp0 -50.42 179.53 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 122.028 0.918 . . . . 0.0 110.114 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -102.65 133.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -106.99 -28.73 9.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.26 -0.9 . . . . 0.0 108.891 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -118.58 143.15 46.98 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.15 -15.81 63.01 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.04 -39.72 86.91 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.944 -1.097 . . . . 0.0 109.143 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.3 t -59.92 -38.09 74.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.382 -0.824 . . . . 0.0 108.864 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.79 -34.54 65.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.727 -0.608 . . . . 0.0 110.494 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 47.2 t0 -70.09 -34.64 73.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.015 -1.053 . . . . 0.0 109.634 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -68.74 -39.97 80.06 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.33 -34.74 72.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.587 ' O ' ' N ' ' A' ' 61' ' ' ASP . 73.0 mmm -70.01 -28.93 65.9 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.615 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.67 -37.05 72.76 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.7 m -78.31 -47.12 18.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.052 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -88.83 -10.86 46.54 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.82 -1.175 . . . . 0.0 110.821 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 57' ' ' MET . 63.0 t0 -80.8 63.32 5.16 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.23 -40.0 80.54 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 p-10 -80.72 -6.6 58.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.137 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 36.53 91.23 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 120.097 -1.049 . . . . 0.0 110.575 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.8 p-10 -106.45 -1.06 23.58 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.254 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.502 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.44 3.93 88.92 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.6 mt-10 -138.03 140.02 39.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.28 130.65 56.19 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.986 -1.071 . . . . 0.0 108.343 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -82.91 165.96 19.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 0.0 110.433 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -46.23 -29.16 1.49 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.486 -0.759 . . . . 0.0 109.404 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -71.66 -48.85 44.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.224 -0.923 . . . . 0.0 109.142 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.66 -39.92 80.41 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.55 -27.41 65.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.327 -0.858 . . . . 0.0 108.958 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.429 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.0 OUTLIER -60.03 -39.81 87.19 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.06 71.71 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.976 -1.077 . . . . 0.0 110.054 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.8 -40.08 91.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.34 -36.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.484 -0.76 . . . . 0.0 110.01 -178.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.489 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 3.5 m -68.94 -40.04 79.22 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.57 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.415 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 90.1 mtp -61.67 -50.0 74.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 110.713 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -67.95 -31.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.63 -1.294 . . . . 0.0 109.968 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 95.5 m -60.0 -40.04 87.84 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.4 -0.812 . . . . 0.0 108.992 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.403 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 25.2 m -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.95 89.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 108.693 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.45 ' SG ' ' SD ' ' B' ' 7' ' ' MET . 5.6 m -60.09 -32.74 71.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.83 -0.544 . . . . 0.0 109.807 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.412 ' NE2' ' OE2' ' A' ' 89' ' ' GLU . 12.9 t-160 -59.9 -39.87 86.85 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -39.92 87.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -77.23 -22.37 52.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 110.096 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 43.0 t80 -85.45 -10.0 56.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.404 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' OE2' ' NE2' ' A' ' 85' ' ' HIS . 62.8 mm-40 -87.22 95.87 10.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 108.703 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -60.15 -39.88 87.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.912 . . . . 0.0 . 179.199 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.426 ' C ' ' H ' ' B' ' 3' ' ' LEU . 6.8 t 59.59 24.69 13.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.412 -0.805 . . . . 0.0 109.628 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.2 9.1 2.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.023 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' B' ' 1' ' ' SER . 3.4 tm? -45.97 -24.89 0.47 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.601 -0.687 . . . . 0.0 109.289 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.14 -39.49 89.9 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.066 -1.021 . . . . 0.0 110.711 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.28 -30.2 38.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.949 -1.094 . . . . 0.0 109.632 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.05 73.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.0 111.867 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.45 ' SD ' ' SG ' ' A' ' 84' ' ' CYS . 39.6 mtt -72.6 -35.72 67.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.704 -1.248 . . . . 0.0 109.702 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.58 -40.08 86.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.78 69.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.301 -0.874 . . . . 0.0 110.952 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.56 -40.46 87.36 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -67.49 -39.9 83.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.15 -41.38 92.64 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.841 -1.162 . . . . 0.0 111.41 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -40.23 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.983 . . . . 0.0 110.445 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.97 -40.01 87.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.304 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.59 -35.91 79.19 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.412 -0.805 . . . . 0.0 111.166 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -60.02 -40.5 89.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.702 -1.249 . . . . 0.0 110.784 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.407 ' CE1' ' HA ' ' B' ' 35' ' ' LEU . 48.5 m-85 -86.08 -33.52 20.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.843 -1.161 . . . . 0.0 112.048 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -60.0 -40.1 88.05 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.755 -1.216 . . . . 0.0 109.536 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 5.54 78.52 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.93 -47.61 85.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.866 -1.373 . . . . 0.0 110.442 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -99.47 -53.91 3.08 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.53 -22.5 0.13 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.5 78.16 9.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.837 -1.39 . . . . 0.0 109.238 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.94 -39.95 94.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.481 -0.762 . . . . 0.0 109.982 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -79.86 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.903 . . . . 0.0 111.155 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -141.75 139.47 32.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.795 -1.191 . . . . 0.0 110.088 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -108.54 128.76 55.1 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' B' ' 30' ' ' SER . 50.4 mtmt -97.46 157.44 16.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.707 -1.246 . . . . 0.0 109.749 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -50.0 -23.5 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.404 ' N ' ' C ' ' B' ' 28' ' ' LYS . 56.4 m -75.97 -49.05 18.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.34 -33.38 75.61 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.73 -41.41 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.816 -0.553 . . . . 0.0 109.74 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -60.13 -39.8 87.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.203 -0.936 . . . . 0.0 110.316 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.06 -34.24 74.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.977 -1.077 . . . . 0.0 109.316 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 8.7 tt -65.44 -49.44 69.16 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.739 -1.225 . . . . 0.0 109.1 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.23 -47.65 65.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.436 -0.79 . . . . 0.0 111.211 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.48 -38.9 81.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.799 -1.188 . . . . 0.0 111.78 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.582 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -98.7 -32.69 11.27 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.191 -0.943 . . . . 0.0 113.31 -176.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tm-20 -79.58 -14.07 59.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.108 -1.62 . . . . 0.0 108.577 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.42 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 29.7 mt -114.35 62.0 0.67 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 87.9 p -59.95 -39.74 86.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.156 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.437 ' O ' ' CD2' ' B' ' 42' ' ' HIS . 23.6 t-160 -137.72 3.32 2.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.14 -0.975 . . . . 0.0 110.214 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -49.86 74.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.851 -1.155 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.41 177.3 11.52 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.118 -0.989 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 46' ' ' GLU . 54.9 tp10 -53.93 99.53 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.682 0.753 . . . . 0.0 109.541 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 41' ' ' SER . 54.3 mp0 -50.16 179.47 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.983 0.897 . . . . 0.0 110.253 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -102.48 133.68 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -106.97 -28.51 10.01 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.266 -0.896 . . . . 0.0 108.971 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -118.59 142.69 47.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.624 -0.672 . . . . 0.0 109.737 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.82 -15.88 63.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 14.8 pt-20 -59.9 -39.79 86.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.969 -1.082 . . . . 0.0 109.313 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.407 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 85.2 t -59.96 -37.8 73.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.04 -34.32 63.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.673 -0.642 . . . . 0.0 110.437 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 47.2 t0 -70.16 -34.88 73.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.056 -1.028 . . . . 0.0 109.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -68.7 -40.04 80.22 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 t -66.18 -34.82 72.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.619 ' O ' ' N ' ' B' ' 61' ' ' ASP . 72.8 mmm -69.95 -28.79 65.85 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.71 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.86 -36.96 73.06 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -78.39 -47.28 17.96 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.026 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 3.8 mm? -88.7 -10.74 47.36 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.805 -1.185 . . . . 0.0 110.821 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' B' ' 57' ' ' MET . 63.0 t0 -80.83 63.32 5.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.12 -40.09 80.35 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.282 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 42.5 p-10 -80.66 -6.49 58.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.993 -1.067 . . . . 0.0 109.196 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.53 91.43 Favored Glycine 0 N--CA 1.496 2.682 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.531 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.3 p-10 -106.46 -1.04 23.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.078 -1.249 . . . . 0.0 110.224 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.46 3.74 88.86 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.2 mt-10 -137.69 139.99 40.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.18 130.46 56.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.986 -1.071 . . . . 0.0 108.374 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -82.77 166.05 19.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.31 -0.868 . . . . 0.0 110.434 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -46.26 -29.14 1.49 Allowed 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.503 -0.748 . . . . 0.0 109.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.55 -48.68 46.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.144 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.199 -0.938 . . . . 0.0 109.606 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -69.81 -27.16 64.66 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.286 -0.884 . . . . 0.0 108.966 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.446 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.02 -40.01 87.81 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.97 71.45 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.879 -1.138 . . . . 0.0 110.078 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.66 -40.08 90.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.042 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.2 OUTLIER -60.41 -36.53 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.433 -0.792 . . . . 0.0 109.903 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.489 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 3.6 m -69.17 -40.01 78.38 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.619 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.57 -49.84 75.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 110.804 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.25 -31.06 49.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.727 -1.233 . . . . 0.0 109.961 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 95.3 m -60.08 -40.08 88.29 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.824 0.821 . . . . 0.0 108.911 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.429 ' OG1' ' SD ' ' A' ' 74' ' ' MET . 26.5 m -60.12 -39.9 87.83 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.03 89.21 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.419 ' SG ' ' SD ' ' A' ' 7' ' ' MET . 5.7 m -59.99 -32.78 71.17 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.835 -0.541 . . . . 0.0 109.882 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.424 ' NE2' ' OE2' ' B' ' 89' ' ' GLU . 13.3 t-160 -59.83 -40.13 87.42 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -59.95 -39.82 86.88 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -77.32 -22.5 51.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.506 -0.746 . . . . 0.0 110.026 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 42.7 t80 -85.41 -10.05 56.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.965 -1.085 . . . . 0.0 109.364 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.424 ' OE2' ' NE2' ' B' ' 85' ' ' HIS . 62.2 mm-40 -87.15 95.92 10.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 108.722 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -60.02 -39.97 87.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.788 . . . . 0.0 109.29 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.228 -0.92 . . . . 0.0 . 179.345 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -60.5 -40.0 89.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.88 . . . . 0.0 109.833 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.21 140.0 58.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 108.783 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -69.53 135.77 50.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -60.58 -39.96 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 108.918 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.9 128.48 56.16 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -68.16 140.04 56.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -0.935 . . . . 0.0 109.144 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.7 -179.56 52.13 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -90.58 171.43 9.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.397 -1.061 . . . . 0.0 109.523 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.478 ' O ' ' N ' ' X' ' 103' ' ' SER . 68.4 m -51.3 -29.21 14.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.453 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.536 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.8 t -42.4 -24.64 0.06 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.474 -0.766 . . . . 0.0 109.077 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.478 ' N ' ' O ' ' X' ' 101' ' ' SER . 57.8 m -45.34 -24.71 0.31 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.723 -0.611 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -55.6 -28.51 55.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.194 -0.941 . . . . 0.0 109.513 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 17.8 p-80 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.581 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.8 ttpt -60.02 -29.57 68.59 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.2 -39.9 80.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.434 -0.791 . . . . 0.0 108.971 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 7.1 tp -79.67 -24.74 41.57 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.033 0.921 . . . . 0.0 109.661 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' X' ' 110' ' ' PHE . 31.3 mmt -60.7 -24.8 65.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.622 -1.298 . . . . 0.0 111.062 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' X' ' 109' ' ' MET . 2.5 p90 -45.28 -39.01 6.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.664 -1.273 . . . . 0.0 110.505 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 79' ' ' MET . 13.4 mtmt -69.9 -40.01 75.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.658 -1.277 . . . . 0.0 108.498 177.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -27.9 66.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.568 -0.707 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.239 0.543 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -60.41 -40.04 89.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.306 -0.871 . . . . 0.0 109.826 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.37 139.99 58.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.074 -1.016 . . . . 0.0 108.776 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -69.49 135.94 50.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.121 -0.987 . . . . 0.0 109.12 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 15.4 t -60.86 -39.98 91.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.855 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.56 128.64 56.09 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.42 140.03 55.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.93 . . . . 0.0 109.065 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.02 -179.62 51.87 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.19 171.58 9.41 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.41 -1.053 . . . . 0.0 109.683 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.488 ' O ' ' N ' ' Y' ' 103' ' ' SER . 70.8 m -51.45 -29.34 15.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.387 -0.821 . . . . 0.0 109.4 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.546 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.7 t -42.02 -24.59 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.655 0.74 . . . . 0.0 109.122 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.488 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.4 m -45.65 -24.74 0.38 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.663 -0.648 . . . . 0.0 109.397 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -55.55 -28.44 54.91 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.201 -0.937 . . . . 0.0 109.435 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.578 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 18.3 p-80 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.578 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.9 ttpt -59.98 -29.66 68.59 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -58.14 -39.91 79.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.338 -0.851 . . . . 0.0 109.003 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 7.1 tp -79.71 -24.63 41.54 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.972 0.891 . . . . 0.0 109.606 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.408 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 32.0 mmt -60.77 -24.81 66.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.625 -1.297 . . . . 0.0 110.992 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' Y' ' 109' ' ' MET . 2.4 p90 -45.24 -38.83 5.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 110.567 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -70.02 -39.75 75.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.69 -1.256 . . . . 0.0 108.504 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -28.2 67.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.675 -0.641 . . . . 0.0 . 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.6 m 60.04 24.84 14.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.49 21.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.399 -0.813 . . . . 0.0 109.33 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.0 tp -59.96 -34.09 72.81 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.09 -40.03 88.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.386 -0.821 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -69.93 -38.66 76.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.102 -0.999 . . . . 0.0 109.881 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -39.97 83.68 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.217 -0.927 . . . . 0.0 110.976 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.012 -1.055 . . . . 0.0 109.655 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.47 -39.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.622 0.725 . . . . 0.0 109.239 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.98 93.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.693 -0.629 . . . . 0.0 111.648 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.729 -1.232 . . . . 0.0 108.209 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.752 -0.592 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -43.93 97.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.803 -1.186 . . . . 0.0 111.739 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -40.06 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.951 -1.093 . . . . 0.0 110.62 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' O ' ' OG ' ' A' ' 18' ' ' SER . 64.9 t80 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 109.454 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -77.61 -22.21 51.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.92 -1.113 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -55.04 -45.0 75.17 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.102 -0.999 . . . . 0.0 110.569 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 27.0 p90 -116.18 -26.01 7.38 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.138 -0.976 . . . . 0.0 111.567 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 84.2 p -59.99 -39.95 87.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.656 -1.278 . . . . 0.0 109.322 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.73 -3.5 50.01 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 35.1 ttt-85 -59.98 -44.03 94.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.34 -1.094 . . . . 0.0 109.586 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.4 mm-40 -114.31 160.01 19.56 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.555 0.693 . . . . 0.0 110.06 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.37 -14.72 0.06 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.0 m-20 -80.03 50.65 1.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.785 -1.421 . . . . 0.0 109.714 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -70.62 -40.01 73.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.978 -1.076 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -81.91 -14.24 56.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.238 -0.914 . . . . 0.0 111.066 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.4 pttt -138.74 159.9 40.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.065 -1.022 . . . . 0.0 108.951 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -113.55 120.49 41.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 0.0 109.048 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -94.74 147.8 22.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.824 -1.173 . . . . 0.0 108.703 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.1 pttm -41.49 -23.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.457 -0.777 . . . . 0.0 109.238 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.88 -49.5 37.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.457 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.99 -36.88 83.15 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.119 -0.988 . . . . 0.0 108.911 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.05 -39.03 84.58 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 36.9 tp10 -66.64 -39.96 88.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.405 -0.809 . . . . 0.0 110.261 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.1 -49.52 77.34 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.284 1.04 . . . . 0.0 108.525 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mt -77.53 -48.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.259 -0.901 . . . . 0.0 112.813 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.7 -41.18 27.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.916 -1.115 . . . . 0.0 113.285 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.443 ' OD1' ' OE2' ' A' ' 34' ' ' GLU . 1.7 t-20 -97.06 -33.99 11.33 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.439 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 10.9 tp10 -88.28 -14.63 37.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.272 -1.518 . . . . 0.0 110.476 -177.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 11.0 mt -143.48 51.27 1.36 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.959 -1.088 . . . . 0.0 109.698 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -60.94 -47.76 84.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.042 -1.036 . . . . 0.0 110.404 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -96.86 -37.19 10.34 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.916 -1.115 . . . . 0.0 110.933 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.17 -38.26 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.155 -0.965 . . . . 0.0 110.264 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -125.23 157.78 35.71 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -54.17 106.91 0.22 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.52 144.71 46.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.454 -0.778 . . . . 0.0 109.567 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -91.29 137.96 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -105.03 -19.51 13.81 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 77.9 tt0 -140.04 140.7 36.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.184 -0.948 . . . . 0.0 109.911 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -64.23 -20.55 66.11 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.306 -0.871 . . . . 0.0 110.788 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 17.3 pt-20 -60.04 -37.6 80.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.099 . . . . 0.0 109.286 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.95 -40.01 81.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 59.3 t0 -64.84 -38.25 90.36 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.085 0.945 . . . . 0.0 109.565 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HZ3' ' CD2' ' X' ' 105' ' ' HIS . 33.4 ttpt -68.56 -40.0 80.81 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.22 -27.65 41.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -69.55 -32.63 71.55 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.124 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.8 -37.65 68.9 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.12 -1.613 . . . . 0.0 106.857 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -82.15 -44.15 16.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.764 -0.585 . . . . 0.0 111.81 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 53.2 mt -88.71 -19.02 26.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.855 -1.153 . . . . 0.0 110.771 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.8 t0 -80.9 62.95 5.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 87.6 mt-10 -58.77 -39.16 80.19 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.51 -16.33 61.29 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.2 33.43 87.22 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.0 p-10 -108.2 6.91 27.14 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -1.204 . . . . 0.0 110.247 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.56 10.03 86.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.9 mt-10 -145.64 128.47 16.34 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 135.48 39.31 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.763 -1.211 . . . . 0.0 108.537 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -69.04 160.67 30.55 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.81 -39.97 19.74 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.96 -46.39 89.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.658 -0.651 . . . . 0.0 110.866 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 38.0 mt-10 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.98 -1.075 . . . . 0.0 110.545 -177.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -67.52 -34.42 77.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.067 -1.021 . . . . 0.0 109.458 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.0 mmm -59.95 -35.72 75.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.242 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -32.11 70.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.801 -1.187 . . . . 0.0 110.648 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.756 -1.215 . . . . 0.0 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -61.38 -34.87 63.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.479 0.656 . . . . 0.0 109.458 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.42 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 53.1 m -60.06 -39.98 87.88 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.465 -0.772 . . . . 0.0 110.368 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.5 mtm -79.09 -44.45 22.08 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.604 -1.238 . . . . 0.0 111.885 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.03 -38.56 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.598 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.08 -39.99 88.0 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -36.99 62.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.0 94.19 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.98 -36.34 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.635 -0.665 . . . . 0.0 109.818 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.9 t-160 -59.95 -40.49 89.17 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.055 -1.028 . . . . 0.0 109.075 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.76 -40.95 98.87 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.9 -1.125 . . . . 0.0 108.421 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.29 -38.31 56.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.446 -0.784 . . . . 0.0 109.721 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.37 15.66 13.42 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' HIS . 53.6 tp10 -59.31 100.69 0.08 Allowed 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.565 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 5.7 p80 -72.65 65.39 0.68 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.463 -0.773 . . . . 0.0 . -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 60.01 24.74 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.16 -0.962 . . . . 0.0 109.605 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.44 21.85 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 109.254 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.9 tp -60.02 -34.14 72.96 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.205 -0.934 . . . . 0.0 109.325 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -39.95 87.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.343 -0.848 . . . . 0.0 111.122 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.415 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -70.01 -38.75 76.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.052 -1.03 . . . . 0.0 109.778 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.05 83.23 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.916 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -64.12 -39.97 95.19 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -39.81 86.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 CA-C-O 121.587 0.708 . . . . 0.0 109.167 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.15 93.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.706 -0.621 . . . . 0.0 111.647 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.712 -1.243 . . . . 0.0 108.24 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -65.65 -39.97 86.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.828 -0.545 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.81 -44.1 97.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.882 -1.136 . . . . 0.0 111.706 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -39.98 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.94 -1.1 . . . . 0.0 110.647 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.462 ' O ' ' OG ' ' B' ' 18' ' ' SER . 64.6 t80 -60.01 -39.97 87.62 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.746 -1.221 . . . . 0.0 109.39 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -77.67 -22.08 51.12 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.815 -1.178 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -55.04 -45.02 75.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.168 -0.957 . . . . 0.0 110.574 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 26.2 p90 -116.16 -26.11 7.35 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.14 -0.975 . . . . 0.0 111.609 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 83.0 p -59.99 -39.9 87.29 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.667 -1.271 . . . . 0.0 109.332 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.9 -3.4 50.97 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.356 -1.497 . . . . 0.0 109.356 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 34.5 ttt-85 -60.03 -43.99 94.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.363 -1.081 . . . . 0.0 109.504 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -114.31 160.0 19.57 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.594 0.711 . . . . 0.0 110.055 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -14.74 0.06 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 98.1 m-20 -79.98 50.75 1.24 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.738 -1.448 . . . . 0.0 109.676 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.69 -40.03 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.21 -13.83 56.5 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.164 -0.96 . . . . 0.0 111.065 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' B' ' 23' ' ' ASP . 52.5 pttt -138.87 159.69 41.53 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.092 -1.005 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tp -113.46 120.59 41.55 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.334 -0.854 . . . . 0.0 109.007 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.5 tttt -94.89 147.77 23.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.22 . . . . 0.0 108.661 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' B' ' 28' ' ' LYS . 24.0 pttm -41.44 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.69 0.757 . . . . 0.0 109.246 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -71.85 -49.34 39.16 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.467 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -66.89 -37.12 83.78 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.126 -0.984 . . . . 0.0 108.915 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -39.09 84.52 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.97 -40.03 87.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.409 -0.807 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 37.2 tp10 -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.453 -0.779 . . . . 0.0 110.222 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.0 -49.52 77.36 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 122.281 1.039 . . . . 0.0 108.577 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -77.57 -47.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 O-C-N 121.371 -0.831 . . . . 0.0 112.848 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.71 -41.27 27.09 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.9 -1.125 . . . . 0.0 113.23 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 34' ' ' GLU . 1.7 t-20 -96.97 -34.08 11.34 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 10.7 tp10 -88.25 -14.7 37.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.285 -1.51 . . . . 0.0 110.494 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mt -143.34 51.19 1.38 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.932 -1.105 . . . . 0.0 109.74 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -60.52 -48.34 82.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.087 -1.008 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.75 -37.06 10.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.924 -1.11 . . . . 0.0 110.915 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.04 -38.59 83.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -0.97 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -125.07 157.83 35.28 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.34 -0.85 . . . . 0.0 109.063 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -54.15 106.95 0.22 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.264 -0.898 . . . . 0.0 109.089 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.53 144.82 46.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.401 -0.812 . . . . 0.0 109.625 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -91.37 137.86 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -104.96 -19.37 13.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.32 -0.862 . . . . 0.0 109.831 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -140.03 140.73 36.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.287 -0.883 . . . . 0.0 109.84 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' NE2' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -64.31 -20.72 66.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 110.777 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.97 -37.57 79.99 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 109.304 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.05 -40.02 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.23 -35.73 75.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 O-C-N 121.957 -0.464 . . . . 0.0 109.753 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -65.05 -38.06 89.62 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.053 0.93 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.628 ' HZ3' ' CD2' ' Y' ' 105' ' ' HIS . 33.0 ttpt -68.57 -40.03 80.75 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -66.18 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -69.6 -32.66 71.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.175 -1.578 . . . . 0.0 106.809 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 61.4 m -82.19 -44.23 16.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.759 -0.588 . . . . 0.0 111.707 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.416 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 53.2 mt -88.72 -18.9 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.832 -1.168 . . . . 0.0 110.792 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.7 t0 -80.86 62.84 5.03 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 88.7 mt-10 -58.59 -39.32 80.04 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.41 -16.38 61.33 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.54 87.52 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.0 p-10 -108.38 7.02 26.88 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.093 -1.24 . . . . 0.0 110.218 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.495 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.51 9.97 86.35 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.7 mt-10 -145.66 128.35 16.2 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 135.57 39.14 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' B' ' 70' ' ' PHE . 78.9 m-20 -69.07 160.8 30.34 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' B' ' 69' ' ' ASP . 2.7 t80 -47.82 -39.86 19.56 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.0 -46.47 89.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.637 -0.664 . . . . 0.0 110.904 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 38.0 mt-10 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.025 -1.047 . . . . 0.0 110.54 -177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.72 -34.12 76.24 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.6 mmm -59.97 -35.77 75.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 110.262 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.09 69.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.76 -1.212 . . . . 0.0 110.544 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.718 -1.239 . . . . 0.0 109.372 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -34.71 62.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 CA-C-O 121.429 0.633 . . . . 0.0 109.454 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.42 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 54.1 m -60.0 -40.02 87.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.399 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.9 mtm -78.97 -44.46 22.4 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.993 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.02 -38.7 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.203 -1.399 . . . . 0.0 109.497 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -36.97 62.85 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.53 92.98 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.0 -36.71 77.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.59 -0.694 . . . . 0.0 109.857 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' B' ' 89' ' ' GLU . 12.0 t-80 -59.94 -40.32 88.54 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.034 -1.041 . . . . 0.0 109.15 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.392 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.27 -38.23 56.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.762 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.44 15.66 13.55 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' B' ' 85' ' ' HIS . 53.6 tp10 -59.28 100.91 0.08 Allowed 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.561 ' H ' ' CD2' ' B' ' 90' ' ' HIS . 5.6 p80 -72.76 65.32 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.458 -0.776 . . . . 0.0 . -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -98.72 133.2 43.38 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.299 -0.875 . . . . 0.0 109.833 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 69.6 tp -107.7 135.59 48.87 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -85.05 133.56 34.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 43.1 t -70.01 -17.92 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.387 -0.821 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.66 130.01 38.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.091 -1.005 . . . . 0.0 109.651 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.46 153.63 23.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.473 -0.767 . . . . 0.0 109.319 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.41 121.12 5.35 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -82.68 155.52 24.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.305 -1.115 . . . . 0.0 110.179 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.432 ' O ' ' N ' ' X' ' 103' ' ' SER . 44.9 m -50.02 -24.89 2.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.46 -0.775 . . . . 0.0 109.613 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.556 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 15.3 t -43.19 -24.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.474 -0.767 . . . . 0.0 109.786 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.432 ' N ' ' O ' ' X' ' 101' ' ' SER . 33.9 t -48.16 -24.86 1.26 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.194 -0.941 . . . . 0.0 109.127 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.51 -0.744 . . . . 0.0 109.697 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.588 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.0 p-80 -57.25 -33.1 67.25 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.917 -1.115 . . . . 0.0 108.373 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.588 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 17.1 ttpp -59.95 -32.83 71.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.38 -39.97 81.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.885 . . . . 0.0 108.707 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.72 -24.54 44.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.403 -0.811 . . . . 0.0 109.871 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.447 ' O ' ' OG1' ' X' ' 112' ' ' THR . 15.2 mmt -57.28 -24.76 56.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.647 -1.283 . . . . 0.0 110.465 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 1.2 p90 -48.87 -33.78 11.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.529 -1.357 . . . . 0.0 109.284 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.434 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.3 OUTLIER -70.59 -40.1 73.44 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.749 -1.219 . . . . 0.0 109.002 176.398 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' X' ' 109' ' ' MET . 82.4 p -60.82 -32.37 71.75 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.341 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.891 . . . . 0.0 . 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -98.46 133.52 42.72 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.319 -0.863 . . . . 0.0 109.911 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 61.8 tp -107.72 135.3 49.37 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.62 133.23 34.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.838 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 46.4 t -70.0 -18.27 63.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.35 -0.843 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -54.32 130.01 37.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 0.0 109.672 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.61 153.54 23.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.372 -0.83 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.49 121.23 5.5 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.04 155.36 23.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -1.089 . . . . 0.0 110.179 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.433 ' O ' ' N ' ' Y' ' 103' ' ' SER . 41.7 m -49.6 -24.99 2.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.44 -0.788 . . . . 0.0 109.761 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 15.2 t -43.19 -24.96 0.1 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.384 -0.822 . . . . 0.0 109.859 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.433 ' N ' ' O ' ' Y' ' 101' ' ' SER . 38.7 t -48.3 -24.83 1.32 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.079 -1.013 . . . . 0.0 109.052 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -59.98 -40.03 87.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.807 . . . . 0.0 109.761 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.628 ' CD2' ' HZ3' ' B' ' 55' ' ' LYS . 4.9 p-80 -57.15 -33.08 67.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.953 -1.092 . . . . 0.0 108.361 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.586 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 17.2 ttpp -60.0 -32.86 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.36 -40.0 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 108.725 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 55.5 tp -78.74 -24.47 44.79 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.367 -0.833 . . . . 0.0 109.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 14.8 mmt -57.34 -24.73 56.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.663 -1.273 . . . . 0.0 110.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.437 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 1.2 p90 -48.85 -33.75 11.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.535 -1.353 . . . . 0.0 109.241 -178.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.3 OUTLIER -70.46 -40.8 73.49 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.7 -1.25 . . . . 0.0 109.0 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -60.06 -32.03 70.55 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.512 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 77.8 mm-40 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 0.0 . 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.45 ' O ' ' OG ' ' A' ' 1' ' ' SER . 96.3 mtp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 0' ' ' MET . 58.0 p 53.54 36.97 24.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 109.595 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.94 -1.15 21.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.551 -0.718 . . . . 0.0 109.289 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -19.52 0.31 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.462 -0.773 . . . . 0.0 109.999 -178.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' NE2' ' B' ' 42' ' ' HIS . 99.7 mt-10 -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.24 -1.538 . . . . 0.0 109.014 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -77.35 -38.13 50.84 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.696 -0.628 . . . . 0.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.27 -39.97 71.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.206 -0.934 . . . . 0.0 112.212 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 2.1 mtt -70.04 -39.93 75.44 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.938 -1.101 . . . . 0.0 109.217 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.18 -32.38 47.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 121.568 -0.708 . . . . 0.0 110.207 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.51 -36.08 63.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.774 . . . . 0.0 110.856 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -43.8 95.2 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 11' ' ' ILE . 79.5 mt -69.26 -38.13 77.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.48 -44.03 96.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.021 -1.049 . . . . 0.0 112.244 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -39.88 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.831 -1.168 . . . . 0.0 109.693 -178.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 15.8 t80 -58.69 -39.97 82.28 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.2 -37.03 79.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 111.078 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -59.95 -40.65 89.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.735 -1.228 . . . . 0.0 110.876 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 44.6 m-85 -86.67 -34.32 19.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.697 -1.252 . . . . 0.0 111.924 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 4.9 t -60.05 -40.03 88.02 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.93 -1.106 . . . . 0.0 109.727 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.37 -6.97 77.33 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -60.01 -46.72 88.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.129 -1.218 . . . . 0.0 109.635 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -115.0 159.63 20.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.65 0.738 . . . . 0.0 110.057 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.36 -18.84 0.6 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 26' ' ' LYS . 5.3 m-20 -79.45 59.78 3.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.829 -1.395 . . . . 0.0 110.053 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' O ' ' OG ' ' A' ' 18' ' ' SER . 33.4 ttmt -62.44 -39.95 95.03 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.955 -1.091 . . . . 0.0 109.345 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.72 -17.97 52.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 111.467 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.5 mttt -140.72 156.54 46.17 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.717 -1.239 . . . . 0.0 111.144 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.01 132.1 53.88 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.4 mtpm? -102.98 150.44 23.54 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' LYS . 19.5 pttp -42.37 -26.55 0.11 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.873 0.844 . . . . 0.0 109.063 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -75.88 -49.91 16.56 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.577 0.703 . . . . 0.0 109.4 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 56.1 tt0 -68.21 -32.99 73.6 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.03 -38.79 83.77 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HZ3' ' CB ' ' A' ' 37' ' ' ASN . 9.2 tptp -57.72 -40.0 78.55 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.0 -40.05 83.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.861 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.7 tm? -59.97 -50.01 75.44 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.569 -1.332 . . . . 0.0 108.713 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -74.97 -46.78 39.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.714 -0.616 . . . . 0.0 112.312 -177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' CB ' ' HZ3' ' A' ' 33' ' ' LYS . 13.4 t-20 -66.81 -40.04 87.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.04 -1.038 . . . . 0.0 112.513 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.3 t-20 -99.25 -33.73 10.63 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 39' ' ' GLU . 2.5 tm-20 -82.55 -19.19 39.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.224 -1.547 . . . . 0.0 110.005 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.6 mt -115.48 33.46 5.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.21 -0.931 . . . . 0.0 109.282 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -59.95 -40.11 87.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.444 ' NE2' ' OE2' ' B' ' 4' ' ' GLU . 54.8 p-80 -117.49 -11.36 10.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 8.8 t80 -64.33 -43.94 93.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.817 -1.177 . . . . 0.0 109.197 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.9 pp -160.38 176.59 11.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.821 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -53.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 12.5 pt-20 -61.1 -175.9 0.05 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 109.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mm -93.05 146.96 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 110.049 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 30.1 mmtp -113.73 -23.6 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.702 -0.624 . . . . 0.0 109.633 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -131.88 154.71 48.93 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.99 -25.74 63.75 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.4 -40.02 89.4 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.171 -0.956 . . . . 0.0 110.62 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.37 -39.88 82.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 120.975 -1.078 . . . . 0.0 108.697 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.63 -39.96 86.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.529 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.25 -39.95 92.23 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.64 -0.663 . . . . 0.0 109.627 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.59 -40.02 95.88 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.07 -31.34 53.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.3 mmm -69.96 -28.32 65.45 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.706 -0.798 . . . . 0.0 108.869 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -39.92 87.31 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -80.39 -40.05 27.24 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.34 -18.05 29.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.849 -1.157 . . . . 0.0 110.5 -178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -79.46 60.87 3.33 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.99 -34.87 73.91 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -77.31 -10.03 59.19 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.32 28.71 72.73 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.78 5.42 28.59 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.104 -1.233 . . . . 0.0 110.263 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 77.3 9.07 87.02 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.709 ' O ' 'CA ' ' A' ' 115' ' ' ' CA' . 63.7 mt-10 -139.49 136.06 34.17 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 16.9 p -103.2 128.09 50.28 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 43.7 t0 -74.33 165.95 24.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.183 -0.948 . . . . 0.0 110.243 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -53.09 -37.1 61.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.19 -0.944 . . . . 0.0 108.898 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.29 -37.88 81.1 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.187 -0.946 . . . . 0.0 109.578 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.96 -40.18 87.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.936 -1.103 . . . . 0.0 109.639 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.94 -33.86 77.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 109.611 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -39.65 85.92 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.877 -0.514 . . . . 0.0 110.398 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.01 68.76 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.674 -1.211 . . . . 0.0 111.083 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -70.24 -20.78 63.05 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.139 . . . . 0.0 110.534 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -31.65 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.908 -1.12 . . . . 0.0 109.562 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 p -69.91 -40.38 75.61 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.596 -1.242 . . . . 0.0 109.701 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.06 -41.55 70.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.07 -1.019 . . . . 0.0 110.65 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.35 -39.43 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.455 -1.403 . . . . 0.0 109.092 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -37.02 78.37 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 m -52.37 -39.17 60.45 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 109.366 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.02 -38.8 83.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.329 -0.857 . . . . 0.0 109.961 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -57.43 -39.88 77.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 0.0 109.201 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.681 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.11 -24.25 21.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.015 -1.053 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -93.86 4.02 54.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.937 -1.102 . . . . 0.0 108.448 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.07 -98.53 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.15 -20.2 62.33 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.487 1.381 0 O-C-N 121.87 -0.519 . . . . 0.0 . -179.731 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.445 ' O ' ' OG ' ' B' ' 1' ' ' SER . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' B' ' 0' ' ' MET . 54.8 p 53.6 36.99 24.91 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 109.499 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.405 ' HG3' ' H2 ' ' B' ' 0' ' ' MET . 99.5 mt-10 -74.88 -1.42 22.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.535 -0.728 . . . . 0.0 109.168 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.12 -19.66 0.29 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 110.071 -178.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' NE2' ' A' ' 42' ' ' HIS . 98.9 mt-10 -66.8 -40.45 88.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.177 -1.577 . . . . 0.0 109.133 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -77.14 -38.29 52.29 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.763 -0.585 . . . . 0.0 110.906 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -40.02 71.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.197 -0.94 . . . . 0.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.547 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 2.0 mtt -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.834 -1.166 . . . . 0.0 109.229 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -71.25 -32.26 46.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.538 -0.726 . . . . 0.0 110.103 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.23 -36.94 63.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.795 . . . . 0.0 110.717 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -43.19 95.35 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.57 -38.43 76.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.859 -0.526 . . . . 0.0 110.215 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.17 -43.85 95.48 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.077 -1.014 . . . . 0.0 112.366 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -39.9 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.766 -1.209 . . . . 0.0 109.565 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 15.4 t80 -58.44 -40.02 81.41 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 119.301 -0.96 . . . . 0.0 108.718 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.07 -36.83 78.21 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.203 -0.936 . . . . 0.0 111.193 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -59.98 -40.53 89.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.761 -1.212 . . . . 0.0 110.995 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.454 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 44.3 m-85 -86.87 -34.66 19.37 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.76 -1.212 . . . . 0.0 111.881 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 4.9 t -59.9 -40.02 87.39 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.977 -1.077 . . . . 0.0 109.76 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -6.74 76.44 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -60.12 -46.78 88.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.26 . . . . 0.0 109.559 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -115.05 159.4 20.86 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.708 0.766 . . . . 0.0 110.068 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.11 -18.73 0.49 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 26' ' ' LYS . 5.5 m-20 -79.57 59.37 2.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.859 -1.377 . . . . 0.0 110.053 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.478 ' O ' ' OG ' ' B' ' 18' ' ' SER . 33.5 ttmt -62.08 -40.01 94.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.99 -1.069 . . . . 0.0 109.402 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -79.85 -17.88 52.13 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 111.409 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 23' ' ' ASP . 98.9 mttt -140.5 155.95 46.49 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.78 -1.2 . . . . 0.0 111.144 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -107.94 132.13 53.81 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.5 mtpm? -103.09 150.49 23.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -42.44 -26.7 0.12 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.913 0.863 . . . . 0.0 109.062 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.1 t -75.71 -49.98 16.69 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.589 0.709 . . . . 0.0 109.343 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 57.2 tt0 -68.36 -32.79 73.14 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.03 -38.52 82.96 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.11 -39.8 79.57 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.573 -0.704 . . . . 0.0 109.182 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.34 -39.99 81.73 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.908 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.01 -50.09 75.11 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.508 -1.37 . . . . 0.0 108.446 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -74.77 -46.59 40.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.594 -0.691 . . . . 0.0 112.504 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.01 -40.04 87.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.969 -1.082 . . . . 0.0 112.518 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 1.3 t-20 -98.87 -34.4 10.49 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.15 -19.24 40.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.171 -1.581 . . . . 0.0 110.194 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -115.33 33.54 5.39 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.209 -0.932 . . . . 0.0 109.132 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -39.95 87.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 109.978 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.422 ' NE2' ' OE2' ' A' ' 4' ' ' GLU . 53.9 p-80 -117.54 -11.42 10.48 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.379 -0.826 . . . . 0.0 110.273 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 8.9 t80 -64.27 -43.88 93.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.882 -1.136 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' B' ' 46' ' ' GLU . 2.0 pp -160.78 176.05 11.91 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.251 -0.906 . . . . 0.0 109.751 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.6 tp10 -52.75 96.56 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 44' ' ' LEU . 12.1 pt-20 -61.15 -176.34 0.06 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.501 -0.75 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -92.69 147.09 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.325 -0.86 . . . . 0.0 110.001 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.492 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 30.4 mmtp -113.86 -23.93 9.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.665 -0.647 . . . . 0.0 109.597 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -131.76 154.88 48.61 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.32 -0.862 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.98 -25.91 63.84 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.25 -40.0 88.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.34 -39.91 82.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.02 -1.05 . . . . 0.0 108.675 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.65 -40.07 87.06 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.625 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -61.22 -39.78 91.54 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.557 -0.714 . . . . 0.0 109.551 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.71 -40.08 95.88 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.4 mmm -69.95 -28.39 65.53 Favored 'General case' 0 C--O 1.2 -1.544 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -59.91 -39.99 87.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.5 m -80.18 -40.23 27.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.784 -0.573 . . . . 0.0 111.012 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.95 -18.38 29.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.919 -1.113 . . . . 0.0 110.585 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -79.26 60.84 3.2 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -59.99 -34.94 74.0 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -77.36 -10.26 59.34 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.54 28.7 72.86 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.6 5.27 28.86 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.142 -1.211 . . . . 0.0 110.184 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.506 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 77.51 9.02 87.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -139.52 135.79 33.83 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 16.1 p -102.94 128.26 49.82 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 40.3 t0 -74.3 166.29 23.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -53.49 -37.17 62.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.0 108.906 -179.185 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.09 -37.76 81.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.128 -0.983 . . . . 0.0 109.568 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.48 -40.04 85.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.879 -1.138 . . . . 0.0 109.559 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.5 -34.25 77.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.419 -0.801 . . . . 0.0 109.608 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.96 -39.53 85.9 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.238 0.542 . . . . 0.0 110.412 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.54 68.23 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.695 -1.253 . . . . 0.0 111.293 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -70.94 -20.38 62.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.939 -1.1 . . . . 0.0 110.487 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -31.67 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.005 -1.06 . . . . 0.0 109.569 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.495 ' H ' ' HG ' ' B' ' 78' ' ' SER . 2.9 p -69.77 -40.55 76.01 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.604 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -70.99 -41.69 70.63 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.683 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.23 -39.54 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.498 -1.376 . . . . 0.0 108.985 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -37.06 78.44 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.6 m -52.36 -39.33 60.64 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.432 ' HB2' ' HZ1' ' Y' ' 111' ' ' LYS . . . -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.99 -38.33 82.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.345 -0.847 . . . . 0.0 109.977 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -57.71 -39.83 78.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.221 -0.924 . . . . 0.0 109.198 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -39.86 87.28 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.261 -0.9 . . . . 0.0 109.77 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.17 -24.27 21.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.123 -0.986 . . . . 0.0 110.594 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' B' ' 89' ' ' GLU . 3.6 m-85 -93.85 4.05 54.49 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.964 -1.085 . . . . 0.0 108.434 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' B' ' 88' ' ' PHE . 87.1 tt0 -53.99 -98.29 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.26 -20.32 62.24 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 . . . . . 0 N--CA 1.487 1.419 0 O-C-N 121.985 -0.447 . . . . 0.0 . -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 92' ' ' SER . . . . . 0.426 ' H3 ' ' HG ' ' X' ' 92' ' ' SER . 9.9 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.274 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tt -113.78 128.5 56.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.581 -0.699 . . . . 0.0 109.23 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -101.09 139.67 36.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.428 -0.795 . . . . 0.0 108.962 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 84.4 p -66.39 146.73 54.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.643 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.45 28.27 3.05 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.492 -0.755 . . . . 0.0 109.673 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 55.69 40.45 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.335 -0.853 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.53 63.5 2.14 Favored Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.267 -0.896 . . . . 0.0 111.58 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -80.0 160.13 25.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.935 -1.332 . . . . 0.0 109.27 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -50.08 -24.77 2.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.772 . . . . 0.0 109.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 26.2 m -48.83 -28.29 3.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.906 -1.121 . . . . 0.0 109.435 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -48.84 -24.85 1.59 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -38.04 81.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.477 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 43.0 t-80 -59.86 -40.0 87.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.888 -1.132 . . . . 0.0 108.604 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.83 -30.43 68.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.219 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.01 -39.85 87.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.922 -1.111 . . . . 0.0 108.281 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 tp -69.69 -31.16 69.03 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.631 -0.668 . . . . 0.0 109.547 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.38 55.88 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.769 -1.207 . . . . 0.0 109.794 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.534 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -39.86 -45.94 1.9 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.742 . . . . 0.0 110.494 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.16 -28.84 42.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.975 -1.078 . . . . 0.0 108.951 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.461 ' N ' ' O ' ' X' ' 109' ' ' MET . 94.3 m -59.96 -40.27 88.49 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.406 -0.809 . . . . 0.0 . 178.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.265 0.555 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.217 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 8.1 tt -113.75 128.35 56.38 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.533 -0.729 . . . . 0.0 109.312 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -100.71 139.85 35.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.372 -0.83 . . . . 0.0 108.945 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 84.5 p -66.7 146.67 54.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.287 -0.883 . . . . 0.0 109.442 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.39 28.16 3.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.435 -0.791 . . . . 0.0 109.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt 55.6 40.29 31.03 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.26 -0.9 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.62 63.94 2.02 Favored Glycine 0 N--CA 1.494 2.564 0 O-C-N 121.304 -0.873 . . . . 0.0 111.541 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.01 160.03 26.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.901 -1.353 . . . . 0.0 109.157 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -50.27 -24.74 3.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.827 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 28.6 m -48.54 -28.56 3.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.367 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 42.4 t -48.68 -24.96 1.55 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.966 . . . . 0.0 108.605 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.01 -37.88 81.01 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.492 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 44.3 t-80 -59.94 -40.01 87.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.92 -1.112 . . . . 0.0 108.577 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.98 -30.39 69.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.116 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.93 -39.93 87.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.861 -1.149 . . . . 0.0 108.25 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.46 -31.12 69.22 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.591 -0.693 . . . . 0.0 109.607 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.35 55.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.718 -1.239 . . . . 0.0 109.802 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 3.9 p90 -39.78 -46.14 1.88 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.456 -0.777 . . . . 0.0 110.462 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.08 -28.93 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.963 -1.086 . . . . 0.0 109.048 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.456 ' N ' ' O ' ' Y' ' 109' ' ' MET . 94.2 m -60.06 -39.9 87.6 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 . 178.837 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . 0.709 'CA ' ' O ' ' A' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.9 mpt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 51.89 18.58 0.81 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.506 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.97 -5.24 42.83 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.489 -0.757 . . . . 0.0 109.472 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -42.52 -25.46 0.08 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.745 -0.597 . . . . 0.0 110.37 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLU . 86.0 tt0 -68.76 -39.96 79.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 109.582 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.3 mppt? -75.54 -35.15 60.74 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.514 -0.741 . . . . 0.0 109.841 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.32 71.89 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.39 -0.819 . . . . 0.0 111.825 -177.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -66.28 -40.04 89.8 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.901 -1.124 . . . . 0.0 109.738 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.72 -35.64 73.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.831 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.92 75.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.633 -0.667 . . . . 0.0 111.428 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.92 -40.06 87.56 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.766 -1.209 . . . . 0.0 107.79 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -69.13 -39.88 79.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.868 -0.52 . . . . 0.0 111.07 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.54 -41.7 99.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.67 -1.269 . . . . 0.0 111.742 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -39.92 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.897 -1.127 . . . . 0.0 110.185 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 12.0 t80 -59.25 -36.28 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.933 -1.105 . . . . 0.0 108.611 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -70.13 -28.39 65.34 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.183 -0.948 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.07 -42.01 93.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.48 -1.387 . . . . 0.0 110.14 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.89 -39.48 10.2 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.971 -1.081 . . . . 0.0 111.96 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.493 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . 21.2 p -61.0 -40.82 95.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.125 -0.984 . . . . 0.0 110.504 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.87 -11.78 83.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -60.01 -48.04 83.34 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -1.207 . . . . 0.0 109.063 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -93.19 -4.07 52.72 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.34 -8.16 79.5 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.5 m-20 -80.36 67.79 6.31 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.579 -1.542 . . . . 0.0 108.915 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -69.99 -33.43 72.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.957 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -77.28 -29.14 53.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.159 -0.963 . . . . 0.0 110.699 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.9 pttt -136.95 157.77 45.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.148 -0.97 . . . . 0.0 109.497 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -120.01 129.59 54.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 30' ' ' SER . 91.0 mttt -92.84 152.75 19.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.695 -1.253 . . . . 0.0 110.186 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -49.55 -22.58 1.3 Allowed 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 28' ' ' LYS . 26.4 t -76.05 -53.7 7.95 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.511 0.672 . . . . 0.0 109.337 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.99 -33.97 76.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.26 -41.78 97.5 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.885 -0.509 . . . . 0.0 110.192 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.08 -40.03 95.37 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.988 -1.07 . . . . 0.0 110.251 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.16 -38.14 89.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.143 -0.973 . . . . 0.0 109.467 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.4 tt -65.69 -48.36 72.29 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.05 -1.031 . . . . 0.0 108.903 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.35 -46.37 49.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.438 -0.788 . . . . 0.0 111.056 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 21.6 t-20 -68.75 -39.69 80.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.928 -1.108 . . . . 0.0 112.368 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.655 ' N ' HD21 ' A' ' 38' ' ' ASN . 0.6 OUTLIER -96.91 -35.57 10.85 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.216 -0.927 . . . . 0.0 113.156 -176.643 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.23 -10.05 59.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.114 -1.616 . . . . 0.0 109.866 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -117.6 54.79 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.255 -0.903 . . . . 0.0 108.61 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -60.01 -42.44 94.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.11 -0.994 . . . . 0.0 110.498 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -131.76 1.87 4.03 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.222 -0.924 . . . . 0.0 109.968 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -50.32 73.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.168 -0.958 . . . . 0.0 109.396 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.25 -161.5 0.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.064 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.1 tt0 -52.3 94.85 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.752 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.35 152.98 39.84 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.414 HD11 HG23 ' A' ' 47' ' ' ILE . 36.5 mm -82.22 139.39 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.778 -1.201 . . . . 0.0 109.755 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -117.75 -13.66 10.16 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.497 -0.752 . . . . 0.0 109.149 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.75 150.78 46.5 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.25 -0.906 . . . . 0.0 110.762 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -68.29 -26.46 65.66 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.04 -39.93 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.568 -0.707 . . . . 0.0 111.587 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -39.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.754 -1.216 . . . . 0.0 109.012 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.2 t -64.4 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.764 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -62.05 -39.86 93.78 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.577 -0.702 . . . . 0.0 109.944 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.13 -40.0 93.83 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.17 -33.53 61.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.5 mmm -69.96 -30.03 67.3 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.175 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.44 -35.48 67.9 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -80.59 -46.98 14.82 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.713 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 30.6 mt -88.16 -13.99 39.81 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.826 -1.171 . . . . 0.0 110.605 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.6 t0 -79.85 60.32 3.42 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 62.0 mt-10 -59.95 -40.07 87.75 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.871 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -80.49 -5.51 56.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.299 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.15 33.68 85.98 Favored Glycine 0 N--CA 1.497 2.705 0 C-N-CA 120.124 -1.036 . . . . 0.0 110.963 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 47.9 p-10 -106.42 1.24 25.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.006 -1.29 . . . . 0.0 110.103 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 4.19 89.6 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.9 mt-10 -135.17 133.01 38.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.88 123.32 38.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.901 -1.124 . . . . 0.0 108.834 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.33 163.1 25.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 111.213 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t80 -41.26 -43.01 2.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -67.23 -43.72 81.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.417 -0.802 . . . . 0.0 110.082 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 46.8 mt-10 -63.21 -40.17 96.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.925 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.62 -35.78 75.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.789 -1.195 . . . . 0.0 109.164 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.0 mmm -59.94 -37.51 79.72 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.584 -0.698 . . . . 0.0 110.43 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.456 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.01 -33.49 73.74 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.745 -1.222 . . . . 0.0 110.673 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.919 -1.113 . . . . 0.0 110.379 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 121.198 0.523 . . . . 0.0 109.972 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 6.2 p -65.81 -40.05 91.49 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.435 -0.791 . . . . 0.0 110.039 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.0 mtp -70.05 -42.6 72.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.901 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.96 -38.6 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.269 -0.894 . . . . 0.0 109.31 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' CYS . 94.4 m -59.98 -40.03 87.72 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -38.5 33.53 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.01 89.66 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' THR . 61.8 m -61.84 -30.78 71.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.472 -0.767 . . . . 0.0 109.628 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.771 ' HE2' ' NE2' ' A' ' 90' ' ' HIS . 53.8 t-80 -59.9 -39.94 87.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.947 -1.096 . . . . 0.0 108.462 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -68.75 -39.91 80.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.857 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -70.09 -43.0 71.98 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.35 71.8 4.45 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.63 109.41 4.87 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.864 0.84 . . . . 0.0 109.318 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.771 ' NE2' ' HE2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -88.5 9.46 23.66 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.476 ' N ' ' HD1' ' A' ' 90' ' ' HIS . 32.1 mp0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 . -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.49 ' N ' ' SD ' ' B' ' 0' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t 51.78 18.59 0.78 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -75.03 -5.25 43.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 109.585 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -42.44 -25.69 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.728 -0.607 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 2' ' ' GLU . 86.0 tt0 -68.78 -39.85 79.98 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.939 -1.1 . . . . 0.0 109.533 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -75.36 -35.5 61.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.48 -0.763 . . . . 0.0 109.904 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.25 71.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 111.885 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.4 mtt -66.15 -40.05 90.27 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.966 -1.084 . . . . 0.0 109.684 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.72 -35.57 73.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.663 -0.648 . . . . 0.0 109.723 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -37.1 75.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.615 -0.678 . . . . 0.0 111.438 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.94 -40.04 87.6 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.787 -1.196 . . . . 0.0 107.815 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.403 HG23 HD11 ' B' ' 11' ' ' ILE . 82.7 mt -69.01 -40.01 80.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.911 -0.493 . . . . 0.0 111.129 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.62 -41.55 99.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.61 -1.306 . . . . 0.0 111.765 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -40.03 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.932 -1.105 . . . . 0.0 110.159 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.582 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 13.0 t80 -59.11 -36.45 75.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.89 -1.131 . . . . 0.0 108.55 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -70.11 -28.43 65.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.182 -0.949 . . . . 0.0 111.062 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -60.04 -41.89 93.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.511 -1.368 . . . . 0.0 110.168 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.03 -39.22 10.27 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.938 -1.101 . . . . 0.0 111.967 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 14' ' ' PHE . 20.2 p -61.33 -40.47 94.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.977 . . . . 0.0 110.398 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -81.11 -11.78 83.23 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -60.03 -47.93 83.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -1.145 . . . . 0.0 109.094 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -93.57 -3.79 52.09 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.49 -8.69 78.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.7 m-20 -80.26 67.86 6.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.566 -1.55 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.01 -33.39 71.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -77.32 -29.39 53.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 51.9 pttt -136.72 157.89 45.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.171 -0.956 . . . . 0.0 109.454 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 tp -119.99 129.92 54.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 30' ' ' SER . 89.2 mttt -93.27 152.8 18.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.728 -1.233 . . . . 0.0 110.098 -178.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -49.54 -22.46 1.26 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.422 ' N ' ' C ' ' B' ' 28' ' ' LYS . 26.8 t -76.22 -53.3 8.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.318 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.31 -41.85 97.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.866 -0.521 . . . . 0.0 110.166 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.07 -40.04 95.4 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.065 -1.022 . . . . 0.0 110.256 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.01 -38.46 91.15 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.397 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.425 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.6 tt -65.38 -48.56 72.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.058 -1.026 . . . . 0.0 108.925 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.2 -46.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.46 -0.775 . . . . 0.0 111.213 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 21.7 t-20 -68.94 -39.61 79.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.892 -1.13 . . . . 0.0 112.285 -177.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.664 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -96.95 -35.74 10.77 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.161 -0.962 . . . . 0.0 113.194 -176.55 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.04 -10.01 59.75 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.133 -1.604 . . . . 0.0 109.849 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.5 mt -117.75 54.73 0.89 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.574 ' HG ' ' HD1' ' B' ' 42' ' ' HIS . 83.5 p -59.96 -42.53 94.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.55 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.574 ' HD1' ' HG ' ' B' ' 41' ' ' SER . 71.3 m80 -131.81 2.05 4.02 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.279 -0.888 . . . . 0.0 110.011 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -50.38 72.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.436 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.4 -161.43 0.8 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.771 -1.206 . . . . 0.0 111.092 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' Y' ' 105' ' ' HIS . 86.0 tt0 -52.28 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.65 0.738 . . . . 0.0 110.681 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.43 153.19 39.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.438 HD13 HG22 ' B' ' 47' ' ' ILE . 35.7 mm -82.72 139.02 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.84 -1.163 . . . . 0.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -117.18 -13.43 10.5 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.568 -0.707 . . . . 0.0 109.241 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.79 150.49 46.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.218 -0.926 . . . . 0.0 110.734 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -67.99 -26.57 65.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -60.14 -39.92 88.01 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.569 -0.707 . . . . 0.0 111.659 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.4 -39.7 85.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.772 -1.205 . . . . 0.0 108.966 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.27 -39.99 87.47 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.785 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.04 -40.02 94.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.526 -0.734 . . . . 0.0 109.962 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.18 -33.35 60.42 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.6 mmm -69.97 -30.16 67.44 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.079 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.33 -35.31 67.46 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -80.94 -46.88 14.48 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.591 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.431 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 29.8 mt -88.01 -14.2 39.66 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.881 -1.137 . . . . 0.0 110.7 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.9 t0 -79.73 60.33 3.35 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 62.1 mt-10 -59.97 -40.02 87.64 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 -178.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -80.59 -5.41 56.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.134 -0.979 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.23 33.67 85.82 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.0 -1.095 . . . . 0.0 110.981 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 47.8 p-10 -106.5 1.33 25.38 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.943 -1.328 . . . . 0.0 110.12 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.0 4.28 89.6 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.9 mt-10 -135.19 133.28 38.92 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 123.38 38.64 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.911 -1.118 . . . . 0.0 108.779 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 70' ' ' PHE . 96.0 m-20 -69.36 163.28 25.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 111.211 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.582 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 6.2 t80 -41.4 -42.87 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.16 -43.94 81.01 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.434 -0.792 . . . . 0.0 110.18 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 46.9 mt-10 -63.16 -40.04 96.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.462 -0.774 . . . . 0.0 110.949 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.92 -35.66 74.73 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.838 -1.163 . . . . 0.0 109.147 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mmm -60.0 -37.62 80.24 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.272 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.456 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.83 -33.51 73.94 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.781 -1.199 . . . . 0.0 110.738 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.892 -1.13 . . . . 0.0 110.314 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -37.92 81.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-O 121.284 0.564 . . . . 0.0 109.934 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 8.5 p -65.84 -40.08 91.41 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 110.093 -178.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.4 mtp -70.16 -42.39 72.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.85 -38.53 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 84' ' ' CYS . 94.2 m -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -38.64 32.45 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.99 89.45 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' B' ' 81' ' ' THR . 61.2 m -61.8 -30.52 70.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.457 -0.777 . . . . 0.0 109.628 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.758 ' HE2' ' NE2' ' B' ' 90' ' ' HIS . 54.0 t-80 -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.939 -1.101 . . . . 0.0 108.451 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -68.75 -40.06 79.98 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 108.789 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.0 -42.85 72.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 108.747 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.45 71.87 4.39 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -70.65 109.28 4.81 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.819 0.819 . . . . 0.0 109.32 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.758 ' NE2' ' HE2' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -88.54 9.41 23.97 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.471 ' N ' ' HD1' ' B' ' 90' ' ' HIS . 32.0 mp0 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 . -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 92' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' X' ' 93' ' ' HIS . 31.2 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.35 0.595 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . 0.493 ' N ' ' OG ' ' X' ' 92' ' ' SER . 83.1 t60 -96.92 117.36 30.96 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.358 -0.839 . . . . 0.0 109.05 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.41 149.48 40.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.976 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -118.66 132.21 56.17 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -76.64 149.52 36.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.304 -0.873 . . . . 0.0 109.559 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 84.2 tttt 50.03 60.02 4.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.305 -0.872 . . . . 0.0 109.791 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.958 -1.089 . . . . 0.0 109.32 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.13 137.98 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -104.56 133.12 49.96 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.418 -1.048 . . . . 0.0 108.789 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 69.6 m -53.6 -25.05 15.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.987 -1.07 . . . . 0.0 108.119 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 31.4 p -50.25 -28.84 8.35 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -52.56 -32.28 40.13 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.08 -37.1 78.91 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.498 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 77.6 t60 -58.24 -39.08 78.2 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -58.85 -25.39 63.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.94 -29.36 66.48 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.336 -0.852 . . . . 0.0 109.462 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -56.14 -24.48 41.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.256 -1.527 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.08 -45.0 7.86 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.12 -0.987 . . . . 0.0 109.493 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.569 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 24.2 pttt -61.62 -39.57 91.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 71.7 p -68.33 -27.59 66.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.385 -0.822 . . . . 0.0 109.128 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.452 -0.78 . . . . 0.0 . 179.177 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' Y' ' 93' ' ' HIS . 26.7 t . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.532 ' N ' ' OG ' ' Y' ' 92' ' ' SER . 83.8 t60 -96.49 117.06 30.12 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.34 -0.85 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -74.39 148.98 40.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.165 -0.959 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . 0.41 ' H ' ' HZ3' ' Y' ' 98' ' ' LYS . 96.8 mttt -118.34 132.25 56.28 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.551 -0.718 . . . . 0.0 109.188 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 90.9 p -76.31 149.74 37.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.25 -0.906 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 84.7 tttt 50.03 60.02 4.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.654 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . 0.41 ' HZ3' ' H ' ' Y' ' 95' ' ' LYS . 67.3 mttm -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.028 -1.045 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.05 137.65 2.49 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -104.35 133.44 49.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.358 -1.083 . . . . 0.0 108.92 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 67.8 m -53.6 -25.39 17.31 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.01 -1.056 . . . . 0.0 108.161 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 31.8 p -50.02 -29.11 8.04 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 75.6 m -52.52 -32.06 38.53 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.01 -37.33 79.39 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.45 ' N ' ' OE2' ' B' ' 45' ' ' GLU . 78.3 t60 -58.35 -38.92 78.19 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -58.98 -25.34 63.51 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.98 -29.5 66.62 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.406 -0.809 . . . . 0.0 109.317 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.09 -24.49 40.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.343 -1.473 . . . . 0.0 109.24 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.564 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.09 -44.66 7.68 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.044 -1.035 . . . . 0.0 109.467 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.564 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 24.9 pttt -62.05 -40.0 94.27 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 58.8 p -67.3 -27.88 67.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.828 . . . . 0.0 109.274 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.492 -0.755 . . . . 0.0 . 179.597 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.367 0.603 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.467 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.3 t 62.52 14.04 6.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 109.643 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.15 9.8 2.32 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 1' ' ' SER . 7.1 tt -59.98 -39.75 86.76 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.611 -0.68 . . . . 0.0 110.182 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -52.0 -40.01 60.33 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.806 -1.184 . . . . 0.0 110.388 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -69.73 -35.0 74.62 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.192 -0.943 . . . . 0.0 109.387 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.119 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.539 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 28.4 mmm -66.74 -40.01 88.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.71 -34.96 67.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.0 82.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.612 -0.68 . . . . 0.0 111.569 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.567 -1.333 . . . . 0.0 107.822 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.56 -39.67 84.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.854 -0.529 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -65.14 -42.16 94.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.639 -1.288 . . . . 0.0 111.977 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -41.36 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.777 -1.202 . . . . 0.0 110.048 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.553 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 63.8 t80 -59.14 -39.18 81.59 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.08 -35.6 79.14 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.547 -0.721 . . . . 0.0 111.198 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.84 -39.96 86.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.673 -1.267 . . . . 0.0 111.214 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.41 -26.21 18.13 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 120.498 -1.377 . . . . 0.0 111.713 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.553 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 66.8 m -60.02 -40.0 87.78 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.979 -1.076 . . . . 0.0 109.6 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.26 43.2 2.98 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.519 ' NE ' ' OE1' ' A' ' 34' ' ' GLU . 13.2 mmt180 -79.85 -70.04 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.068 -1.254 . . . . 0.0 110.442 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.23 -13.0 15.24 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.443 -0.786 . . . . 0.0 110.318 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.44 -11.67 2.48 Favored Glycine 0 N--CA 1.497 2.752 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.855 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 26' ' ' LYS . 11.0 m-20 -80.85 72.68 7.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.564 -1.551 . . . . 0.0 108.628 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -69.99 -45.76 66.64 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.513 0.673 . . . . 0.0 110.185 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.19 -1.8 58.23 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.763 . . . . 0.0 110.568 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' ASP . 3.7 ttmp? -139.45 148.34 42.61 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 108.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -119.7 125.5 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' SER . 64.8 tttm -92.99 149.16 21.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.032 -1.042 . . . . 0.0 109.351 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -46.01 -22.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' LYS . 84.3 p -75.58 -48.71 21.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.61 -35.26 79.76 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.03 -42.08 93.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.844 -0.535 . . . . 0.0 110.27 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.15 -39.95 92.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.057 -1.027 . . . . 0.0 109.935 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' OE1' ' NE ' ' A' ' 20' ' ' ARG . 98.9 mt-10 -67.18 -39.03 86.36 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.248 -0.907 . . . . 0.0 110.011 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.9 tt -63.97 -48.76 75.21 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.741 -1.225 . . . . 0.0 108.946 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -74.22 -44.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.469 -0.769 . . . . 0.0 111.209 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.548 ' C ' HD21 ' A' ' 38' ' ' ASN . 29.0 t-20 -69.03 -38.9 79.44 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.943 -1.098 . . . . 0.0 112.258 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.668 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.5 m120 -98.27 -35.44 10.34 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -176.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 6.8 tp10 -92.33 -20.71 20.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.454 -1.404 . . . . 0.0 110.664 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.76 28.15 8.6 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.567 -0.708 . . . . 0.0 109.457 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 44' ' ' LEU . 5.2 t -69.43 -60.74 2.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.04 -1.037 . . . . 0.0 111.067 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.47 -41.51 55.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 110.625 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.96 -26.29 64.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 0.0 111.091 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 41' ' ' SER . 4.6 tp -139.56 162.61 34.66 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.781 -1.199 . . . . 0.0 108.384 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 53.5 tp10 -60.7 115.05 3.35 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.983 -1.073 . . . . 0.0 109.494 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' CG ' ' ND2' ' A' ' 37' ' ' ASN . 88.1 tt0 -58.67 144.68 42.56 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.539 0.685 . . . . 0.0 109.781 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 mm -81.9 140.07 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -105.64 -17.92 14.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.89 . . . . 0.0 110.679 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -138.6 152.45 48.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.178 -0.951 . . . . 0.0 111.238 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.65 -20.47 63.59 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.18 -39.94 95.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.873 . . . . 0.0 110.616 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.81 -40.01 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.893 -1.129 . . . . 0.0 108.651 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.6 -35.17 72.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.076 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.42 -37.83 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 109.566 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.78 -40.03 88.01 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' X' ' 105' ' ' HIS . 24.9 t -62.68 -34.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.3 mmm -69.95 -29.44 66.58 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.349 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -56.98 -36.58 70.52 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -78.71 -47.48 16.81 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.348 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 34.6 mt -89.0 -11.76 43.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.958 -1.089 . . . . 0.0 111.033 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -79.28 59.41 2.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -57.91 -39.23 77.43 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -74.93 -9.98 59.05 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.28 -0.888 . . . . 0.0 108.794 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.28 30.08 76.44 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -106.51 2.61 26.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.194 -1.18 . . . . 0.0 110.356 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 3.88 89.53 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.81 131.53 35.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.37 130.13 46.43 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -74.39 170.19 16.14 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.025 -1.047 . . . . 0.0 109.724 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.437 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 3.2 t80 -49.76 -40.0 39.62 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.358 -0.839 . . . . 0.0 108.751 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -62.44 -48.36 80.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.53 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 31.8 mt-10 -60.01 -40.09 88.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.916 -1.115 . . . . 0.0 110.219 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.87 -33.79 76.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 109.321 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.466 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.6 OUTLIER -60.03 -38.53 82.99 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 109.828 -178.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.77 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.833 -1.167 . . . . 0.0 111.584 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.814 -1.179 . . . . 0.0 110.99 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -32.8 33.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.499 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 0.5 OUTLIER -67.6 -40.65 84.74 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.869 -1.144 . . . . 0.0 109.888 -179.196 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 ptm -72.0 -43.09 65.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.032 -1.043 . . . . 0.0 110.859 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.1 t -59.98 -38.12 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.524 -1.36 . . . . 0.0 109.394 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.519 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 89.0 m -57.29 -37.53 72.56 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -54.52 -40.48 68.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.44 88.25 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.3 -34.54 68.82 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.45 -0.781 . . . . 0.0 108.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -60.01 -40.43 89.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.062 -1.024 . . . . 0.0 109.025 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.05 -40.76 90.51 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.427 -0.909 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -72.04 -37.56 69.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.0 109.183 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.01 60.85 6.05 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.58 105.76 1.6 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.106 -0.996 . . . . 0.0 109.083 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -60.01 -39.95 87.58 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--N 1.302 -1.475 0 O-C-N 121.799 -0.563 . . . . 0.0 . 179.352 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.447 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 1.3 t 62.31 14.05 6.47 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.284 -0.885 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.29 10.22 2.14 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.0 -39.98 87.65 Favored 'General case' 0 C--O 1.199 -1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.222 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.05 -39.95 60.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.88 -1.138 . . . . 0.0 110.343 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -69.75 -34.79 74.29 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 121.334 -0.854 . . . . 0.0 109.31 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.37 75.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.555 -0.716 . . . . 0.0 112.152 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.519 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 26.1 mmm -66.56 -40.03 88.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.221 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.4 t -68.5 -34.88 67.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.638 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.667 -0.646 . . . . 0.0 111.601 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.596 -1.315 . . . . 0.0 107.758 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.44 -39.51 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.822 -0.549 . . . . 0.0 111.359 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.38 -42.25 92.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.69 -1.256 . . . . 0.0 112.028 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -41.7 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 120.819 -1.176 . . . . 0.0 110.042 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.556 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 62.8 t80 -59.02 -39.17 81.08 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.243 -0.91 . . . . 0.0 108.668 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.15 -35.61 79.3 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.529 -0.732 . . . . 0.0 111.124 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -59.82 -40.03 87.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 0.0 111.214 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.3 -26.25 18.21 Favored 'General case' 0 N--CA 1.51 2.575 0 O-C-N 120.566 -1.334 . . . . 0.0 111.612 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.556 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 73.6 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.996 -1.065 . . . . 0.0 109.592 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.43 43.36 3.03 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.522 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 13.2 mmt180 -79.93 -69.97 0.55 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.163 -1.198 . . . . 0.0 110.413 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -107.45 -12.68 15.26 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.439 -0.788 . . . . 0.0 110.339 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.18 -11.83 2.55 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.796 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' B' ' 26' ' ' LYS . 11.5 m-20 -80.68 72.57 7.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.558 -1.554 . . . . 0.0 108.704 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.01 -45.96 66.13 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.535 0.683 . . . . 0.0 110.177 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -88.93 -2.05 58.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.566 -0.709 . . . . 0.0 110.753 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 23' ' ' ASP . 3.8 ttmp? -139.34 148.64 43.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.065 -1.022 . . . . 0.0 108.91 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -119.86 125.67 49.08 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.603 ' HZ2' ' HZ3' ' B' ' 29' ' ' LYS . 64.8 tttm -93.51 149.12 21.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 0.0 109.3 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.603 ' HZ3' ' HZ2' ' B' ' 28' ' ' LYS . 8.4 ptpp? -45.83 -22.11 0.17 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 85.4 p -75.63 -48.92 20.11 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.597 ' N ' ' HG ' ' B' ' 30' ' ' SER . 98.2 mt-10 -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.09 -41.92 93.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.761 -0.587 . . . . 0.0 110.201 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.992 -1.068 . . . . 0.0 109.946 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.522 ' OE1' ' NE ' ' B' ' 20' ' ' ARG . 98.7 mt-10 -67.32 -38.54 85.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.311 -0.868 . . . . 0.0 110.063 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.413 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.7 tt -64.43 -48.49 75.13 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.782 -1.199 . . . . 0.0 109.0 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.39 -44.59 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.494 -0.754 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.547 ' C ' HD21 ' B' ' 38' ' ' ASN . 29.1 t-20 -68.72 -39.3 80.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 112.352 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.674 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.5 m120 -98.27 -35.14 10.44 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.212 -0.93 . . . . 0.0 113.464 -176.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.9 tp10 -92.3 -20.75 20.8 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.495 -1.378 . . . . 0.0 110.664 -177.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 35.5 mt -118.21 28.68 8.22 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.603 -0.686 . . . . 0.0 109.357 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' LEU . 5.6 t -69.52 -60.53 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -0.973 . . . . 0.0 110.985 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -75.75 -41.29 53.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.035 -1.041 . . . . 0.0 110.628 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 7.9 t80 -69.96 -26.44 64.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 111.05 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' SER . 4.8 tp -139.47 162.41 35.13 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.854 -1.154 . . . . 0.0 108.33 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.404 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 tp10 -60.87 115.32 3.6 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.951 -1.093 . . . . 0.0 109.5 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.468 ' CG ' ' ND2' ' B' ' 37' ' ' ASN . 88.5 tt0 -58.66 144.67 42.51 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -81.85 140.02 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -105.57 -17.8 14.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.237 -0.914 . . . . 0.0 110.707 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -138.95 152.45 47.71 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.107 -0.996 . . . . 0.0 111.27 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.47 -20.61 63.74 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.13 -40.08 95.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.202 -0.936 . . . . 0.0 110.543 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.72 -39.96 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.93 -1.107 . . . . 0.0 108.64 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.82 -34.91 70.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.034 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -66.04 -38.34 88.14 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.674 0.75 . . . . 0.0 109.612 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.93 -39.98 87.49 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.53 -34.77 66.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.1 mmm -70.07 -29.17 66.1 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.353 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.02 -36.61 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -78.82 -47.36 16.79 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 32.6 mt -88.91 -12.0 42.94 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.982 -1.074 . . . . 0.0 111.057 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -79.32 59.41 2.84 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -57.9 -38.93 76.71 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.09 -10.01 59.07 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.11 30.14 76.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 44.2 p-10 -106.57 2.79 26.37 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.137 -1.214 . . . . 0.0 110.373 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.503 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.95 3.73 89.43 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 29.9 mt-10 -135.8 131.49 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.35 130.1 46.41 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -74.3 170.0 16.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.03 -1.044 . . . . 0.0 109.7 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.427 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 3.2 t80 -49.74 -40.04 39.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.282 -0.886 . . . . 0.0 108.757 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -62.31 -48.41 79.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.306 -0.871 . . . . 0.0 110.534 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 31.9 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.956 -1.09 . . . . 0.0 110.205 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.89 -33.82 76.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.018 . . . . 0.0 109.354 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.427 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -60.0 -38.4 82.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.15 70.13 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.819 -1.175 . . . . 0.0 111.611 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -68.7 -29.56 68.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.845 -1.159 . . . . 0.0 111.104 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.64 -32.42 29.22 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.499 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 0.7 OUTLIER -67.79 -40.61 83.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.775 -1.203 . . . . 0.0 109.833 -179.281 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.2 ptm -71.9 -43.15 65.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.04 -1.038 . . . . 0.0 110.955 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 62.9 t -60.03 -37.94 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.533 -1.354 . . . . 0.0 109.391 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.539 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 91.1 m -57.38 -37.9 73.4 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -54.09 -40.38 67.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.3 85.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.127 -0.983 . . . . 0.0 108.656 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.52 -34.68 69.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.122 -0.986 . . . . 0.0 108.905 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.99 -41.29 91.72 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.86 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.9 -37.57 70.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.496 -0.753 . . . . 0.0 109.284 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.09 60.97 6.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.72 105.82 1.67 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.121 -0.987 . . . . 0.0 109.123 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.702 -0.624 . . . . 0.0 . 179.413 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -79.53 70.48 6.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 63.7 mt 48.59 -149.0 0.2 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.335 -0.853 . . . . 0.0 109.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -171.07 90.76 0.14 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.38 -0.825 . . . . 0.0 109.412 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 63.0 m -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.986 . . . . 0.0 108.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.28 142.25 47.2 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.18 131.13 1.2 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -154.58 158.92 40.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -1.171 . . . . 0.0 109.803 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.486 ' O ' ' N ' ' X' ' 104' ' ' ARG . 67.1 m -60.1 -38.32 82.59 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.271 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 15.7 m -45.73 -28.36 1.01 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.003 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 46.6 t -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' X' ' 101' ' ' SER . 0.4 OUTLIER -60.0 -42.81 95.08 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.427 -0.795 . . . . 0.0 109.42 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 56' ' ' VAL . 42.4 t60 -60.09 -37.12 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.053 -1.029 . . . . 0.0 108.765 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.06 -28.19 67.57 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.426 -0.796 . . . . 0.0 108.863 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -39.97 87.33 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.402 HD12 ' HZ2' ' X' ' 111' ' ' LYS . 6.5 tp -72.87 -27.4 61.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.5 0.667 . . . . 0.0 110.081 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.491 ' O ' ' N ' ' X' ' 112' ' ' THR . 21.9 mmt -56.33 -24.51 44.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.367 -1.458 . . . . 0.0 109.811 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' X' ' 109' ' ' MET . 3.4 p90 -42.85 -39.5 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.997 -1.065 . . . . 0.0 109.93 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.402 ' HZ2' HD12 ' X' ' 108' ' ' LEU . 16.3 mtmt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.571 -1.33 . . . . 0.0 108.586 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.491 ' N ' ' O ' ' X' ' 109' ' ' MET . 69.8 p -61.64 -28.44 69.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.609 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.445 -0.785 . . . . 0.0 . 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -79.44 70.1 5.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.831 . . . . 0.0 109.359 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 68.1 mt 49.01 -149.34 0.21 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.3 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -170.89 90.77 0.15 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.389 -0.819 . . . . 0.0 109.413 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.02 -39.96 87.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 109.07 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.53 142.22 46.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.02 -39.97 87.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.141 -0.975 . . . . 0.0 109.936 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.3 130.74 1.16 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -154.09 158.64 40.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.226 -1.161 . . . . 0.0 109.744 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.472 ' O ' ' N ' ' Y' ' 104' ' ' ARG . 56.9 m -59.98 -37.91 81.03 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.445 -0.784 . . . . 0.0 109.24 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 18.2 m -45.91 -28.32 1.09 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.399 -0.813 . . . . 0.0 108.984 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -59.96 -40.02 87.61 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' Y' ' 101' ' ' SER . 0.5 OUTLIER -60.01 -42.81 95.11 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.482 -0.761 . . . . 0.0 109.436 179.576 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -59.99 -37.2 78.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.125 -0.984 . . . . 0.0 108.717 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.96 -28.28 67.52 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.393 -0.817 . . . . 0.0 108.937 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.04 -39.93 87.65 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 6.7 tp -72.64 -27.68 62.28 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.484 ' O ' ' N ' ' Y' ' 112' ' ' THR . 23.0 mmt -56.29 -24.43 43.21 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.403 -1.436 . . . . 0.0 109.787 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' Y' ' 109' ' ' MET . 3.4 p90 -42.85 -39.55 2.56 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.99 -1.069 . . . . 0.0 109.922 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -70.02 -40.5 75.16 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.643 -1.285 . . . . 0.0 108.576 176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' Y' ' 109' ' ' MET . 81.8 p -60.12 -29.91 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.69 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 . 179.613 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 63.48 16.74 9.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.302 -0.874 . . . . 0.0 109.617 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.81 7.47 0.36 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.629 0.728 . . . . 0.0 109.248 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -60.08 -33.12 71.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.404 -0.81 . . . . 0.0 111.079 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -59.99 -39.89 87.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.705 -1.247 . . . . 0.0 111.043 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -31.61 58.03 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.734 -1.229 . . . . 0.0 109.807 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.64 73.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 111.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 mtt -65.69 -39.98 91.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.887 -1.133 . . . . 0.0 109.374 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.74 -35.19 74.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.83 79.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.558 -1.339 . . . . 0.0 108.08 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 11' ' ' ILE . 81.7 mt -68.73 -39.36 80.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.757 -0.589 . . . . 0.0 111.053 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.04 -41.11 95.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 111.907 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -73.96 -39.92 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.015 -1.053 . . . . 0.0 110.166 -178.809 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 81.0 t80 -60.01 -39.38 85.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 109.288 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -68.11 -26.47 65.82 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -59.97 -44.22 94.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.649 -1.282 . . . . 0.0 109.924 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -91.0 -39.93 11.95 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.021 -1.049 . . . . 0.0 112.09 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.545 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 52.6 m -60.95 -39.97 91.54 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.964 -1.085 . . . . 0.0 111.803 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.89 89.6 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -59.97 -49.99 75.5 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.745 -0.856 . . . . 0.0 110.572 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.91 1.29 42.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.336 -0.852 . . . . 0.0 110.454 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.0 61.95 Favored Glycine 0 N--CA 1.496 2.671 0 O-C-N 121.19 -0.944 . . . . 0.0 110.747 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 15.3 m-20 -82.25 73.76 9.27 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.429 -1.63 . . . . 0.0 107.915 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -68.58 -41.75 79.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.486 -0.759 . . . . 0.0 110.391 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -91.06 -1.38 57.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.333 -0.854 . . . . 0.0 110.438 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 ttmt -143.49 147.51 34.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 109.305 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.81 130.42 52.35 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.807 . . . . 0.0 108.881 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 30' ' ' SER . 50.8 mtmt -96.08 153.54 17.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.812 -1.18 . . . . 0.0 110.256 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -49.79 -23.09 1.66 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 48.7 m -73.19 -55.34 6.59 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.0 -41.1 91.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.883 -0.511 . . . . 0.0 109.943 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 86.7 tttt -60.12 -39.93 87.96 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.067 -1.021 . . . . 0.0 110.731 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.43 76.81 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 109.155 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLU . 6.0 tt -62.88 -51.16 68.05 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.076 -1.015 . . . . 0.0 109.405 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -70.37 -45.68 74.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 111.168 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 2.6 m-80 -60.83 -39.97 91.05 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.967 -1.083 . . . . 0.0 110.458 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.4 t-20 -100.95 -32.99 10.38 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' LEU . 66.9 tt0 -92.26 -14.63 28.61 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.183 -1.573 . . . . 0.0 109.99 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 mt -131.0 49.54 2.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.42 -0.8 . . . . 0.0 109.315 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 95.3 p -77.28 -68.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.19 -0.944 . . . . 0.0 109.866 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.424 ' N ' ' OG ' ' A' ' 41' ' ' SER . 17.9 p-80 -86.77 -11.12 51.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 109.185 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -63.53 -46.54 85.53 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.15 -168.02 2.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.747 -1.221 . . . . 0.0 110.5 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' ND1' ' X' ' 105' ' ' HIS . 86.7 tt0 -52.8 98.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.922 0.867 . . . . 0.0 110.391 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.85 153.69 32.41 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -77.6 142.26 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 109.894 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -10.68 12.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.656 -0.652 . . . . 0.0 110.002 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -159.96 157.1 28.26 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.915 -1.116 . . . . 0.0 109.925 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.561 -0.712 . . . . 0.0 110.782 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.0 -36.74 77.86 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 110.797 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' CG2' ' NE2' ' X' ' 105' ' ' HIS . 60.0 t -62.51 -40.01 86.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 120.942 -1.099 . . . . 0.0 108.8 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.95 -39.45 85.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.827 -0.545 . . . . 0.0 109.558 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.58 -38.05 89.63 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.498 -0.751 . . . . 0.0 109.972 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -66.39 -39.99 89.39 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 t -66.09 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.9 mmm -71.13 -26.87 63.2 Favored 'General case' 0 C--O 1.2 -1.529 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.647 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.95 -39.94 87.28 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 119.912 -1.742 . . . . 0.0 106.457 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -79.72 -43.27 22.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.34 0.59 . . . . 0.0 111.024 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.2 tp -87.45 -16.07 35.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 110.992 -177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.33 61.92 4.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.77 -37.72 74.16 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 80.8 m-20 -73.89 -14.28 61.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 29.97 76.1 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 25.4 p-10 -106.23 3.21 27.54 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -1.164 . . . . 0.0 110.217 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.71 1.45 89.25 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.776 ' O ' 'CA ' ' A' ' 115' ' ' ' CA' . 87.6 mt-10 -138.43 141.23 39.53 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 12.9 p -108.61 128.82 55.17 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.062 -1.024 . . . . 0.0 109.506 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.45 160.27 32.7 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.354 0.597 . . . . 0.0 110.254 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.1 -39.96 30.23 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -67.36 -39.3 85.69 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.143 -0.973 . . . . 0.0 109.439 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' A' ' 63' ' ' ASP . 46.7 mt-10 -66.71 -42.9 85.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 109.962 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.435 -0.791 . . . . 0.0 110.056 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.57 ' C ' ' HG ' ' B' ' 78' ' ' SER . 75.2 mmm -59.98 -36.04 76.3 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.381 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.7 72.45 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.006 -1.059 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 40.2 t80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.965 -1.084 . . . . 0.0 108.846 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -38.16 80.15 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-O 121.412 0.625 . . . . 0.0 109.404 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -61.61 -39.94 93.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.187 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.96 -42.06 58.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.41 -39.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.188 -0.945 . . . . 0.0 109.608 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -39.8 87.11 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.6 m -52.42 -40.01 61.64 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' PHE . 35.3 m -59.85 -29.61 68.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.364 -0.835 . . . . 0.0 109.41 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -60.01 -40.42 89.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 41.8 mp0 -64.55 -37.03 86.14 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.141 -0.974 . . . . 0.0 110.043 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -93.25 -22.09 19.22 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.134 -0.979 . . . . 0.0 110.581 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 84' ' ' CYS . 39.7 t80 -87.29 -9.11 55.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 0.0 110.624 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -79.89 59.43 3.17 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.716 -1.24 . . . . 0.0 109.879 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -60.02 -39.73 86.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.977 -1.077 . . . . 0.0 108.281 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 C--N 1.302 -1.495 0 O-C-N 121.624 -0.672 . . . . 0.0 . -179.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.554 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 63.53 16.44 9.62 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -66.76 7.37 0.37 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.518 -0.739 . . . . 0.0 109.229 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.554 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.1 tp -59.99 -33.04 71.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 111.207 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.727 -1.233 . . . . 0.0 110.936 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -31.28 58.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.78 -1.2 . . . . 0.0 109.892 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 0.0 111.551 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.445 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 29.8 mtt -66.09 -40.02 90.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.83 -1.169 . . . . 0.0 109.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.39 -35.62 75.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.04 81.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.596 -0.69 . . . . 0.0 111.553 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.94 -40.05 87.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.535 -1.353 . . . . 0.0 108.125 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.91 -38.96 79.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.785 -0.572 . . . . 0.0 111.065 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.48 -40.64 93.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.71 -1.244 . . . . 0.0 111.912 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -39.94 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.018 -1.051 . . . . 0.0 110.126 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.553 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 80.8 t80 -59.96 -39.39 85.48 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -0.872 . . . . 0.0 109.259 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.21 -26.34 65.67 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.161 -0.962 . . . . 0.0 110.793 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -60.02 -44.2 94.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.594 -1.316 . . . . 0.0 109.953 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.01 -40.1 11.84 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.923 -1.111 . . . . 0.0 112.014 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.553 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 53.2 m -60.74 -40.06 91.02 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.96 -1.088 . . . . 0.0 111.814 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.44 -5.74 89.66 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -59.92 -50.03 75.37 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.763 -0.845 . . . . 0.0 110.601 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -99.95 1.18 42.45 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.392 -0.818 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -14.01 61.73 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -82.27 73.8 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.414 -1.639 . . . . 0.0 107.843 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -68.57 -41.57 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.449 -0.782 . . . . 0.0 110.391 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -91.29 -1.37 57.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.424 -0.797 . . . . 0.0 110.45 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -143.48 147.47 34.58 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.094 -1.004 . . . . 0.0 109.206 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.9 tp -124.72 130.56 52.64 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.373 -0.83 . . . . 0.0 108.849 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 30' ' ' SER . 51.0 mtmt -96.18 153.46 17.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.766 -1.209 . . . . 0.0 110.367 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -49.74 -23.23 1.69 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 23.3 m -73.44 -54.94 7.07 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.83 -34.31 74.37 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.02 -41.17 91.61 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.94 -0.475 . . . . 0.0 109.849 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.545 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 86.8 tttt -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.12 -0.987 . . . . 0.0 110.708 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' B' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.44 76.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.525 -1.359 . . . . 0.0 109.08 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 39' ' ' GLU . 6.1 tt -62.96 -50.67 69.88 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.075 -1.015 . . . . 0.0 109.52 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.89 -45.63 72.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.365 -0.835 . . . . 0.0 110.974 -177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' B' ' 33' ' ' LYS . 2.6 m-80 -60.84 -40.08 91.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.925 -1.109 . . . . 0.0 110.464 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 1.4 t-20 -100.86 -33.02 10.39 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 35' ' ' LEU . 62.6 tt0 -92.16 -14.97 28.27 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.079 -1.638 . . . . 0.0 110.08 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 61.6 mt -130.69 49.37 2.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.491 -0.756 . . . . 0.0 109.278 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 87.6 p -77.1 -68.42 0.61 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.193 -0.942 . . . . 0.0 109.847 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.421 ' N ' ' OG ' ' B' ' 41' ' ' SER . 17.6 p-80 -86.87 -10.8 52.55 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.233 -0.917 . . . . 0.0 109.207 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -63.91 -46.2 85.9 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.31 -168.05 2.36 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.782 -1.199 . . . . 0.0 110.502 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.53 ' OE2' ' ND1' ' Y' ' 105' ' ' HIS . 86.5 tt0 -52.76 98.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.911 0.862 . . . . 0.0 110.383 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -62.81 153.91 31.5 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 mm -77.88 142.3 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.866 -1.146 . . . . 0.0 109.83 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -10.52 12.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.724 -0.61 . . . . 0.0 109.995 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -159.94 156.95 28.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 109.927 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.99 -34.46 73.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.508 -0.745 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -59.99 -36.54 77.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.139 -0.976 . . . . 0.0 110.943 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.435 ' CG2' ' NE2' ' Y' ' 105' ' ' HIS . 61.8 t -62.74 -39.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 120.925 -1.109 . . . . 0.0 108.784 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.77 -39.6 86.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.479 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.38 -38.0 89.45 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.521 -0.737 . . . . 0.0 109.99 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -66.46 -39.94 89.11 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.17 -32.02 56.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.583 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.6 mmm -71.2 -26.82 63.11 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.664 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -59.95 -39.95 87.35 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 119.952 -1.717 . . . . 0.0 106.464 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.0 m -79.69 -43.13 23.28 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.336 0.589 . . . . 0.0 111.068 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -87.68 -15.91 35.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 111.008 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.583 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -80.39 62.01 4.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.76 -37.97 74.58 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 79.9 m-20 -74.01 -13.7 60.91 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.0 76.36 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 25.2 p-10 -106.27 3.46 27.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.257 -1.143 . . . . 0.0 110.218 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.491 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.37 1.36 88.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 88.4 mt-10 -138.09 141.05 40.25 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 12.9 p -108.46 128.84 55.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.015 -1.053 . . . . 0.0 109.496 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.54 160.23 32.86 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.349 0.595 . . . . 0.0 110.326 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.06 -40.01 29.78 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.41 -38.99 85.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.103 -0.998 . . . . 0.0 109.485 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD2' ' B' ' 63' ' ' ASP . 46.4 mt-10 -67.07 -42.9 83.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.873 -1.142 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.58 -34.48 78.35 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.432 -0.793 . . . . 0.0 110.06 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.93 -35.93 75.98 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.413 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.85 72.62 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.027 -1.045 . . . . 0.0 110.836 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 40.1 t80 -59.94 -39.96 87.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.962 -1.086 . . . . 0.0 108.831 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -38.34 80.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.481 0.658 . . . . 0.0 109.427 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.57 ' HG ' ' C ' ' A' ' 74' ' ' MET . 2.8 t -61.63 -40.03 93.42 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.1 mtp -74.94 -41.87 58.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.196 -0.94 . . . . 0.0 110.922 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.49 -40.0 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.476 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.82 87.09 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.474 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.4 m -52.44 -39.93 61.61 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.6 m -59.82 -29.75 68.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.516 -0.74 . . . . 0.0 109.483 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -40.42 89.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.781 -1.199 . . . . 0.0 109.355 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' B' ' 86' ' ' GLU . 42.0 mp0 -64.48 -37.22 86.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.23 -0.919 . . . . 0.0 110.013 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.17 -22.02 19.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.099 -1.001 . . . . 0.0 110.628 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' B' ' 84' ' ' CYS . 40.1 t80 -87.37 -8.99 55.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.106 -0.997 . . . . 0.0 110.576 -178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.93 59.31 3.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.709 -1.244 . . . . 0.0 109.904 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -60.0 -39.53 86.07 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.044 -1.035 . . . . 0.0 108.331 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 C--N 1.302 -1.488 0 C-N-CA 120.059 -0.656 . . . . 0.0 . -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -90.37 10.1 26.34 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.296 -0.878 . . . . 0.0 109.832 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.19 132.13 52.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.094 -1.004 . . . . 0.0 109.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -90.02 -79.84 0.33 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 0.0 109.634 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 94.2 p -155.81 176.08 13.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.203 -0.936 . . . . 0.0 109.513 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -69.54 152.86 44.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.34 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.01 -41.66 92.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.261 -0.9 . . . . 0.0 110.333 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.16 -159.69 32.4 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.07 152.83 24.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.353 -1.086 . . . . 0.0 109.96 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.426 ' O ' ' N ' ' X' ' 103' ' ' SER . 63.8 m -57.67 -24.84 58.8 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 71.1 p -43.11 -24.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.737 -0.602 . . . . 0.0 109.777 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.426 ' N ' ' O ' ' X' ' 101' ' ' SER . 47.2 t -51.2 -28.31 11.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 108.914 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -59.99 -40.01 87.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 108.598 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.545 ' ND1' ' OE2' ' A' ' 45' ' ' GLU . 9.0 m-70 -54.5 -32.7 58.49 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.06 -31.02 69.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.428 ' CB ' ' HZ3' ' X' ' 107' ' ' LYS . 0.1 OUTLIER -59.04 -40.02 83.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.876 -1.14 . . . . 0.0 108.257 -179.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.0 OUTLIER -76.68 -24.61 53.2 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.267 -0.895 . . . . 0.0 109.216 178.404 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.83 -24.62 64.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.064 -1.647 . . . . 0.0 109.869 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.4 p90 -45.02 -45.68 10.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.959 -1.088 . . . . 0.0 109.982 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 6.7 pttt -69.95 -34.84 73.96 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.294 -0.879 . . . . 0.0 109.146 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 94.4 m -61.42 -40.01 92.86 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.313 -0.867 . . . . 0.0 108.722 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 0.0 . 179.423 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -90.07 10.04 25.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 109.78 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.15 132.2 53.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.019 -1.051 . . . . 0.0 109.285 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -90.0 -79.72 0.33 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 109.651 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 95.3 p -155.92 176.13 13.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -69.53 152.84 44.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.889 . . . . 0.0 109.298 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.03 -41.66 92.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.278 -0.889 . . . . 0.0 110.259 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.09 -159.73 32.06 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.89 152.88 24.3 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.323 -1.104 . . . . 0.0 109.974 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.432 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.8 m -57.8 -24.83 59.14 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 74.9 p -43.26 -24.82 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.738 -0.601 . . . . 0.0 109.76 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.432 ' N ' ' O ' ' Y' ' 101' ' ' SER . 47.1 t -51.11 -28.33 10.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.248 -0.907 . . . . 0.0 108.889 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.96 -40.04 87.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.53 ' ND1' ' OE2' ' B' ' 45' ' ' GLU . 8.4 m-70 -54.52 -32.61 58.46 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.004 -1.06 . . . . 0.0 108.173 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.94 -31.29 69.72 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.95 83.08 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.246 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.0 OUTLIER -76.77 -24.55 52.9 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.281 -0.887 . . . . 0.0 109.215 178.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.1 mmt -59.85 -24.57 64.32 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.079 -1.638 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.4 p90 -45.13 -45.58 11.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.0 109.964 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.568 ' NZ ' ' CZ ' ' B' ' 76' ' ' PHE . 6.5 pttt -69.81 -35.88 75.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.336 -0.853 . . . . 0.0 109.055 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' Y' ' 111' ' ' LYS . 92.9 m -60.12 -40.0 88.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.98 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 . 179.547 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . 0.776 'CA ' ' O ' ' A' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 55.91 15.77 1.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 109.017 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 5' ' ' LYS . 99.5 mt-10 -73.99 -2.6 24.84 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 tp -47.27 -22.27 0.38 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.698 -0.626 . . . . 0.0 109.954 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -70.27 -36.73 74.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.874 -1.141 . . . . 0.0 108.334 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' GLU . 32.6 ttpt -69.82 -39.93 76.19 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.676 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.0 80.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.314 -0.866 . . . . 0.0 111.364 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.469 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 46.0 mtt -65.33 -40.01 93.13 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.859 -1.151 . . . . 0.0 109.888 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.54 -38.83 82.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.192 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.16 86.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.875 -0.516 . . . . 0.0 111.438 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -59.93 -39.95 87.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.848 -1.157 . . . . 0.0 108.146 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.03 -39.14 76.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.795 -0.566 . . . . 0.0 110.5 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.53 -44.55 95.95 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.695 -1.253 . . . . 0.0 111.003 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -35.04 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.141 -0.974 . . . . 0.0 109.407 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -58.29 -39.86 80.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.633 -1.292 . . . . 0.0 108.567 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.97 -21.61 63.23 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.317 -0.864 . . . . 0.0 109.178 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.99 -44.64 94.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.257 -0.902 . . . . 0.0 110.427 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -96.09 -36.85 10.85 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.706 -1.246 . . . . 0.0 111.916 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -60.0 -43.33 95.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.737 -1.227 . . . . 0.0 110.538 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -15.19 80.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -61.13 -43.33 99.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.012 -1.287 . . . . 0.0 108.785 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -113.49 157.0 22.55 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 121.597 0.713 . . . . 0.0 109.314 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.4 -29.45 23.37 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.543 -0.723 . . . . 0.0 111.687 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 26' ' ' LYS . 88.7 m-20 -71.2 56.71 0.22 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.506 -1.585 . . . . 0.0 109.714 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' GLY . 31.2 ttpt -61.98 -39.23 91.49 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.082 -1.011 . . . . 0.0 110.553 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.526 ' H ' ' ND1' ' A' ' 25' ' ' HIS . 30.5 p-80 -78.7 -10.1 59.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.03 -1.044 . . . . 0.0 111.793 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 23' ' ' ASP . 58.1 pttt -146.47 156.61 43.4 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.573 -1.329 . . . . 0.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.13 119.0 38.22 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 30' ' ' SER . 83.7 tttt -90.14 150.63 21.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.751 -1.218 . . . . 0.0 108.371 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.2 pttp -43.66 -23.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.246 -0.909 . . . . 0.0 108.929 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.7 t -75.56 -48.2 23.4 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' LYS . 44.3 mt-10 -66.09 -37.79 86.64 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.93 -40.3 88.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.864 -0.523 . . . . 0.0 109.951 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 110.095 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.62 -36.78 76.46 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.62 -49.96 73.14 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.723 -1.236 . . . . 0.0 108.702 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -71.51 -49.69 45.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 111.085 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' C ' HD21 ' A' ' 38' ' ' ASN . 27.7 t-20 -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.231 -0.918 . . . . 0.0 111.743 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.643 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.4 m120 -98.84 -34.94 10.28 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.244 -0.91 . . . . 0.0 113.281 -176.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -91.85 -21.66 20.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.352 -1.467 . . . . 0.0 109.563 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -120.71 36.51 4.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.663 -0.648 . . . . 0.0 109.755 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.427 ' HG ' ' H ' ' A' ' 42' ' ' HIS . 39.9 p -67.09 -71.58 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.332 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.427 ' H ' ' HG ' ' A' ' 41' ' ' SER . 80.1 t60 -80.66 -16.57 53.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.4 OUTLIER -60.04 -45.81 91.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.509 -0.744 . . . . 0.0 109.315 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -161.18 -157.3 0.5 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.587 -1.321 . . . . 0.0 110.565 -179.502 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -50.6 92.82 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.704 0.764 . . . . 0.0 111.222 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' LEU . 86.0 tt0 -63.32 148.33 48.63 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.5 mm -86.8 137.07 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.745 -1.222 . . . . 0.0 109.806 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.03 -24.47 10.76 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.374 -0.828 . . . . 0.0 108.798 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.9 144.48 51.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.612 -0.68 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -18.95 64.6 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -60.53 -39.93 89.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.044 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' CG1' ' CD2' ' X' ' 105' ' ' HIS . 76.1 t -60.81 -39.98 83.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.22 -40.04 86.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 46.8 t0 -60.55 -40.02 90.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.564 0.697 . . . . 0.0 109.237 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.12 -40.4 95.76 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.518 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 28.2 t -66.83 -31.36 53.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.99 -31.68 69.5 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.768 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.07 -39.84 83.36 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -79.4 -46.3 17.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.898 -0.501 . . . . 0.0 111.091 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 4.1 mm? -88.91 -12.18 42.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.666 -1.271 . . . . 0.0 111.403 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.3 t0 -80.74 62.53 4.81 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.4 -39.74 80.53 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.126 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.77 -12.15 60.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.379 -0.825 . . . . 0.0 108.86 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.19 32.21 79.73 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 4.0 p30 -105.44 6.41 32.46 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.244 -1.15 . . . . 0.0 109.625 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.03 -1.41 88.81 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 65' ' ' ASP . 1.2 pp20? -140.58 138.33 34.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -97.64 129.68 44.71 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -76.45 168.97 19.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.783 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 8.1 t80 -51.31 -40.03 58.14 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -59.93 -50.07 75.19 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.255 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.83 -39.95 95.93 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.82 -32.02 73.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.037 -1.039 . . . . 0.0 109.384 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.485 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -59.98 -37.72 80.48 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -178.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.19 72.0 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.794 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -37.64 80.27 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.135 -0.978 . . . . 0.0 109.635 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -34.89 70.79 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-O 121.422 0.63 . . . . 0.0 109.39 -179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -63.13 -41.33 99.29 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.429 -0.794 . . . . 0.0 110.446 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.5 mtm -77.82 -40.42 40.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.911 -1.118 . . . . 0.0 111.298 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.73 -39.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.952 -1.092 . . . . 0.0 109.505 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.95 -38.44 82.46 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.467 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 5.5 m -56.17 -39.85 72.99 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.23 85.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 108.764 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 88' ' ' PHE . 38.1 t -60.01 -35.91 76.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.788 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.98 -39.31 85.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.077 . . . . 0.0 109.41 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -39.28 85.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.55 -24.9 17.79 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.104 -0.997 . . . . 0.0 109.684 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 84' ' ' CYS . 2.5 t80 -92.53 67.96 4.76 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -83.11 98.83 9.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.241 -0.912 . . . . 0.0 108.866 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.04 -39.95 90.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.577 -0.702 . . . . 0.0 110.445 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 . -179.456 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 15.69 2.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.006 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 5' ' ' LYS . 99.6 mt-10 -74.26 -2.68 25.99 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 55.8 tp -47.07 -22.71 0.38 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.753 -0.592 . . . . 0.0 109.96 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -70.02 -36.55 75.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.836 -1.165 . . . . 0.0 108.324 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 2' ' ' GLU . 33.5 ttpt -69.91 -40.04 75.84 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.184 0.516 . . . . 0.0 109.759 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.03 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 111.316 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.471 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 45.2 mtt -65.33 -40.02 93.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.808 -1.182 . . . . 0.0 109.785 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.45 -38.79 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-O 121.616 0.722 . . . . 0.0 109.325 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.25 86.74 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.871 -0.518 . . . . 0.0 111.388 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 108.108 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.82 -39.3 77.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.782 -0.574 . . . . 0.0 110.518 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.47 -44.71 95.61 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.727 -1.233 . . . . 0.0 110.996 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -35.17 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.15 -0.969 . . . . 0.0 109.415 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.17 -39.73 79.61 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.634 -1.291 . . . . 0.0 108.557 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -70.02 -21.65 63.18 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.35 -0.844 . . . . 0.0 109.141 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.93 -44.88 94.07 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.278 -0.889 . . . . 0.0 110.349 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -96.01 -36.79 10.91 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 120.827 -1.171 . . . . 0.0 111.93 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.2 p -60.04 -43.42 95.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 110.543 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 -14.64 81.29 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.48 -43.11 99.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.958 -1.319 . . . . 0.0 108.848 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.35 157.23 22.11 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 121.58 0.705 . . . . 0.0 109.306 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.45 -29.82 24.72 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.571 -0.706 . . . . 0.0 111.629 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 26' ' ' LYS . 89.4 m-20 -70.99 56.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.485 -1.597 . . . . 0.0 109.799 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' B' ' 22' ' ' GLY . 31.9 ttpt -62.07 -39.15 91.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.188 -0.945 . . . . 0.0 110.511 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.535 ' ND1' ' H ' ' B' ' 25' ' ' HIS . 31.6 p-80 -78.59 -10.19 59.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.017 -1.052 . . . . 0.0 111.743 -178.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.8 pttt -146.56 156.58 43.34 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.604 -1.31 . . . . 0.0 110.245 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.06 119.03 38.33 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 30' ' ' SER . 84.1 tttt -90.37 150.47 21.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.807 -1.183 . . . . 0.0 108.386 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -43.55 -23.54 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.265 -0.897 . . . . 0.0 108.913 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 28' ' ' LYS . 41.5 t -75.33 -48.33 23.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.3 mt-10 -66.06 -37.84 86.84 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.96 -40.23 88.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.911 -0.493 . . . . 0.0 109.972 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 110.157 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.69 -36.53 76.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.741 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.7 -50.0 72.84 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.777 -1.202 . . . . 0.0 108.801 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.55 -49.62 45.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 111.086 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.548 ' C ' HD21 ' B' ' 38' ' ' ASN . 27.3 t-20 -60.98 -39.99 91.71 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.197 -0.939 . . . . 0.0 111.721 -177.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.666 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.3 m120 -98.86 -35.05 10.23 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.219 -0.925 . . . . 0.0 113.226 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.76 -21.54 20.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.362 -1.461 . . . . 0.0 109.623 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -120.77 36.59 4.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.711 -0.618 . . . . 0.0 109.626 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.685 ' HG ' ' H ' ' B' ' 42' ' ' HIS . 42.2 p -67.11 -71.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 0.0 110.308 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.685 ' H ' ' HG ' ' B' ' 41' ' ' SER . 80.2 t60 -80.57 -16.6 53.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.396 -0.815 . . . . 0.0 109.998 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.469 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -60.03 -45.59 92.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.552 -0.717 . . . . 0.0 109.332 -179.105 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 46' ' ' GLU . 0.5 OUTLIER -161.35 -157.22 0.49 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.556 -1.34 . . . . 0.0 110.566 -179.561 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -50.85 93.05 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.196 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 44' ' ' LEU . 86.1 tt0 -63.3 148.35 48.53 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.1 mm -86.87 136.95 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.74 -1.225 . . . . 0.0 109.754 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -110.05 -24.4 10.78 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.87 144.4 51.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.59 -0.694 . . . . 0.0 109.343 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -19.07 64.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -60.41 -39.9 89.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.526 -0.734 . . . . 0.0 109.981 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.407 ' H ' ' HG3' ' B' ' 51' ' ' GLU . 88.9 t -60.83 -40.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.17 -40.06 86.23 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 47.4 t0 -60.52 -40.02 89.94 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.546 0.688 . . . . 0.0 109.207 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.03 -40.53 96.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.588 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 32.3 t -66.76 -31.29 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.567 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.5 mmm -70.03 -31.57 69.27 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.722 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -59.05 -39.82 83.19 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 119.927 -1.733 . . . . 0.0 106.41 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.3 m -79.56 -46.34 17.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.887 -0.508 . . . . 0.0 111.056 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -88.89 -11.93 43.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.669 -1.269 . . . . 0.0 111.356 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.97 62.51 4.98 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.147 -1.798 . . . . 0.0 106.147 177.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.37 -39.59 80.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.119 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.86 -12.35 60.15 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 108.813 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.26 32.37 80.47 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 4.0 p30 -105.64 6.31 31.92 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.237 -1.155 . . . . 0.0 109.585 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.24 -1.88 88.35 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' B' ' 67' ' ' GLU . 1.2 pp20? -140.14 138.61 35.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -1.044 . . . . 0.0 109.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -97.72 129.86 44.73 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.57 168.89 19.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.137 -0.977 . . . . 0.0 110.772 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.453 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 8.0 t80 -51.31 -39.78 57.64 Favored 'General case' 0 C--O 1.204 -1.34 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -60.03 -50.02 75.37 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.624 -0.672 . . . . 0.0 109.291 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.94 -31.74 72.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.073 -1.017 . . . . 0.0 109.457 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.467 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -60.03 -37.73 80.64 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.472 -0.767 . . . . 0.0 109.21 -178.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -33.04 71.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.1 -37.68 80.68 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.088 -1.007 . . . . 0.0 109.573 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -34.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-O 121.466 0.651 . . . . 0.0 109.491 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.03 -41.28 99.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.448 -0.782 . . . . 0.0 110.378 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtm -77.91 -40.54 39.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.885 -1.134 . . . . 0.0 111.45 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.63 -39.82 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.903 -1.123 . . . . 0.0 109.391 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -60.07 -38.19 82.13 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.485 ' OG1' ' SD ' ' A' ' 74' ' ' MET . 6.3 m -56.23 -39.76 73.02 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.29 85.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 108.844 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' B' ' 88' ' ' PHE . 38.4 t -59.92 -35.93 75.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.569 -0.707 . . . . 0.0 109.71 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.37 85.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.96 -1.088 . . . . 0.0 109.443 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -39.33 85.49 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -93.41 -24.99 17.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.553 ' N ' ' O ' ' B' ' 84' ' ' CYS . 2.4 t80 -92.53 67.98 4.76 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -82.99 98.86 9.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 108.833 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -66.12 -39.98 90.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.549 -0.719 . . . . 0.0 110.407 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 . -179.529 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -141.78 159.96 41.16 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.304 -0.872 . . . . 0.0 109.472 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.38 151.79 30.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 0.0 109.561 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -79.17 -38.69 35.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.454 -0.779 . . . . 0.0 109.357 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 53.6 p 45.18 54.41 7.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.387 -0.821 . . . . 0.0 109.968 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.39 121.23 16.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -161.73 161.65 29.38 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.71 139.19 17.65 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -119.86 146.5 45.68 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.413 -1.051 . . . . 0.0 110.305 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' X' ' 103' ' ' SER . 45.0 m -58.89 -24.82 62.74 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.401 ' C ' ' O ' ' X' ' 101' ' ' SER . 18.0 p -42.65 -24.79 0.07 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.452 ' N ' ' O ' ' X' ' 101' ' ' SER . 57.9 m -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' X' ' 101' ' ' SER . 10.8 mpt_? -65.25 -37.65 87.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.828 -1.17 . . . . 0.0 108.015 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.518 ' HE2' ' CG2' ' A' ' 56' ' ' VAL . 7.0 t-80 -58.18 -34.44 70.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -59.94 -30.31 68.98 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.04 -39.94 87.67 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.928 . . . . 0.0 108.76 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.99 -36.19 74.98 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.346 -0.846 . . . . 0.0 109.01 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.46 ' O ' ' OG1' ' X' ' 112' ' ' THR . 16.9 mmt -50.0 -24.38 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.828 -1.17 . . . . 0.0 109.563 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.9 p90 -46.77 -44.14 18.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.946 -1.096 . . . . 0.0 109.29 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.3 pttt -67.43 -34.52 77.4 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' X' ' 109' ' ' MET . 59.3 p -65.28 -33.37 75.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.218 -0.926 . . . . 0.0 108.929 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.718 . . . . 0.0 . 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.165 0.507 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -141.81 159.98 41.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.37 151.84 30.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 109.627 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -79.43 -38.62 34.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.433 -0.792 . . . . 0.0 109.338 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 53.5 p 45.11 54.82 6.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.326 -0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -69.5 121.59 17.33 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -162.18 161.62 28.05 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.45 139.03 16.43 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -119.85 146.3 45.86 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.422 -1.046 . . . . 0.0 110.273 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.438 ' O ' ' N ' ' Y' ' 103' ' ' SER . 49.6 m -58.78 -24.81 62.35 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 19.1 p -42.81 -24.75 0.07 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.777 -0.577 . . . . 0.0 109.478 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.438 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.1 m -60.0 -40.01 87.71 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' Y' ' 101' ' ' SER . 10.8 mpt_? -65.3 -37.56 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.852 -1.155 . . . . 0.0 108.044 178.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.588 ' HE2' ' CG2' ' B' ' 56' ' ' VAL . 6.9 t-80 -58.18 -34.46 70.35 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.168 -0.957 . . . . 0.0 108.744 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.69 -36.52 76.05 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.389 -0.819 . . . . 0.0 108.999 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.46 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 16.7 mmt -49.78 -24.43 2.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.838 -1.164 . . . . 0.0 109.682 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.528 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -46.63 -44.47 18.36 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.977 -1.077 . . . . 0.0 109.222 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.528 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.0 pttt -66.91 -35.81 80.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.335 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 73.1 p -63.65 -33.54 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.261 -0.9 . . . . 0.0 109.248 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.57 -0.706 . . . . 0.0 . 179.663 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 5.5 t 60.13 19.43 8.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.329 -0.857 . . . . 0.0 110.126 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.95 3.03 13.08 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -58.93 -24.79 62.85 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.879 -0.513 . . . . 0.0 109.877 -179.168 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.68 -40.07 94.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.627 -1.296 . . . . 0.0 109.221 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -68.79 -36.27 78.06 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.5 -0.75 . . . . 0.0 109.279 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.0 89.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.463 -0.773 . . . . 0.0 110.759 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.6 mtt -64.82 -40.17 94.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 109.407 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.7 -38.26 81.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.489 0.661 . . . . 0.0 109.245 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.68 94.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.761 -0.587 . . . . 0.0 111.376 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.651 -1.28 . . . . 0.0 108.3 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.53 -39.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.481 -0.762 . . . . 0.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -66.61 -40.39 88.8 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.809 -1.182 . . . . 0.0 111.753 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -39.73 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.93 -1.106 . . . . 0.0 109.558 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.97 -39.94 87.36 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 109.379 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -69.55 -22.21 63.57 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.276 -0.89 . . . . 0.0 109.773 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.717 -1.24 . . . . 0.0 109.832 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -93.19 -37.67 11.97 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 120.784 -1.197 . . . . 0.0 112.043 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -59.88 -39.96 87.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.141 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 -12.91 83.94 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.02 -1.282 . . . . 0.0 108.522 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -113.87 161.04 18.1 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.15 -14.48 0.85 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 120.444 -0.884 . . . . 0.0 110.949 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -74.55 62.91 1.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.754 -1.439 . . . . 0.0 109.488 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.98 -39.97 75.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.412 -0.805 . . . . 0.0 111.386 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -93.05 -0.02 57.22 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.973 -1.08 . . . . 0.0 110.701 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -146.95 170.27 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.894 -1.129 . . . . 0.0 109.24 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -134.62 129.46 34.95 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.7 tttp -96.22 146.98 24.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.714 -1.241 . . . . 0.0 109.894 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 52.8 pttt -42.04 -23.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.497 -0.752 . . . . 0.0 109.57 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 m -74.53 -50.16 19.16 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.26 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.46 -35.37 80.7 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.02 -42.95 95.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.797 -0.564 . . . . 0.0 109.636 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 87.1 tttt -60.21 -40.14 89.09 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.147 -0.971 . . . . 0.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 99.9 mt-10 -69.92 -30.71 68.18 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.964 -1.085 . . . . 0.0 109.088 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.6 tt -69.89 -42.6 73.22 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.248 -0.907 . . . . 0.0 109.454 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -73.77 -49.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.365 -0.834 . . . . 0.0 112.373 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.56 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 25.4 p30 -84.75 -24.45 28.81 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.321 -1.487 . . . . 0.0 112.888 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.56 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 1.2 m120 -94.99 -35.71 11.86 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.56 -1.338 . . . . 0.0 110.991 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' B' ' 1' ' ' SER . 7.1 tp10 -88.86 -17.23 30.1 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.611 -1.306 . . . . 0.0 109.386 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.13 37.6 4.03 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -59.9 -50.25 74.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 110.862 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.35 -32.11 11.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.05 -1.031 . . . . 0.0 110.659 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.6 t80 -66.94 -34.7 78.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 110.73 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tp -134.81 159.99 39.61 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.5 111.33 1.36 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.109 -0.995 . . . . 0.0 108.591 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.54 155.43 33.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.458 -0.776 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CD1' HH12 ' X' ' 104' ' ' ARG . 30.9 mm -79.8 140.05 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.99 -1.069 . . . . 0.0 108.714 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -20.68 13.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.506 -0.746 . . . . 0.0 110.048 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -139.78 139.46 36.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.308 -0.87 . . . . 0.0 108.67 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 51' ' ' GLU . 2.8 pp0? -65.2 -22.58 66.91 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.164 -0.96 . . . . 0.0 111.066 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.614 ' N ' ' NE2' ' A' ' 50' ' ' GLN . 18.4 pt-20 -59.98 -38.91 83.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.677 -1.264 . . . . 0.0 109.427 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.15 -40.04 82.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.44 -40.0 82.84 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.28 -39.39 90.21 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 14.1 t -68.29 -31.19 50.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.9 mmm -69.88 -30.12 67.49 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.223 -0.991 . . . . 0.0 109.377 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.28 -40.04 84.84 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -84.11 -40.02 18.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.753 -0.592 . . . . 0.0 111.434 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 tp -86.83 -19.0 29.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.106 -0.996 . . . . 0.0 110.129 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.4 t0 -80.69 66.29 6.15 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.43 -39.48 76.31 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.195 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -75.95 -15.95 60.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.265 -0.897 . . . . 0.0 108.621 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.63 31.86 77.17 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 32.9 p-10 -105.85 7.26 32.2 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.209 -1.171 . . . . 0.0 109.827 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.9 2.19 88.23 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 57.8 mt-10 -139.48 137.55 35.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.636 -0.92 . . . . 0.0 109.276 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.5 p -99.66 130.43 45.88 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.15 -0.969 . . . . 0.0 109.031 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 9.1 t70 -74.78 171.3 14.2 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.4 t80 -56.79 -39.94 75.0 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.034 -1.041 . . . . 0.0 109.371 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.13 -39.8 86.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.829 -1.169 . . . . 0.0 109.824 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.03 -42.55 97.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.919 -1.113 . . . . 0.0 110.145 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.97 -36.31 83.08 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.402 -0.811 . . . . 0.0 109.703 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.1 mmm -60.03 -37.76 80.73 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.788 -0.57 . . . . 0.0 110.517 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.12 72.77 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.792 -1.193 . . . . 0.0 111.233 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -62.12 -38.78 90.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.002 -1.061 . . . . 0.0 109.773 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 121.556 0.693 . . . . 0.0 110.074 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -63.99 -40.19 95.81 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.076 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 mtm -74.37 -40.65 61.96 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.951 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.46 -39.76 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.063 -1.023 . . . . 0.0 108.976 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -59.98 -39.94 87.4 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -53.14 -37.38 61.78 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.8 90.92 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' PHE . 19.4 t -59.99 -37.99 81.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 110.168 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.87 -40.87 90.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.824 -1.173 . . . . 0.0 108.238 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -80.61 -23.79 39.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.613 -0.679 . . . . 0.0 110.455 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -93.82 19.56 8.71 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 122.318 1.056 . . . . 0.0 108.231 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -92.39 -115.15 0.09 Allowed 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -71.8 -40.18 69.34 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 N--CA 1.49 1.529 0 CA-C-N 116.109 -0.496 . . . . 0.0 . 179.024 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.519 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 5.2 t 59.96 19.26 8.32 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.277 -0.889 . . . . 0.0 110.269 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.75 2.95 12.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.912 0.863 . . . . 0.0 109.043 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.445 ' C ' ' CD2' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -58.92 -24.53 62.51 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.937 -179.137 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.17 -40.0 93.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.638 -1.289 . . . . 0.0 109.05 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -68.72 -36.19 78.1 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.556 -0.715 . . . . 0.0 109.293 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.98 89.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.9 mtt -64.67 -39.94 94.54 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.389 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.25 -38.08 81.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.823 -0.548 . . . . 0.0 111.415 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.98 -40.03 87.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.514 -1.366 . . . . 0.0 108.286 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -67.77 -39.26 81.67 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 121.493 -0.755 . . . . 0.0 110.39 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.24 -40.58 90.33 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.716 -1.24 . . . . 0.0 111.92 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -39.69 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.976 -1.077 . . . . 0.0 109.578 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -39.89 87.26 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.312 -0.868 . . . . 0.0 109.301 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -69.6 -22.25 63.52 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.824 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.776 -1.203 . . . . 0.0 109.82 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -93.24 -37.5 12.03 Favored 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.818 -1.176 . . . . 0.0 112.146 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.2 t -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.844 -1.16 . . . . 0.0 110.017 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.68 -13.01 83.92 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 67.3 ttt180 -60.1 -45.14 93.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.239 . . . . 0.0 108.594 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.8 161.13 17.94 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.74 -15.01 0.79 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -74.43 63.1 1.04 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.644 -1.503 . . . . 0.0 109.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -70.12 -40.07 75.09 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.389 -0.819 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -92.86 -0.02 57.32 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.94 -1.1 . . . . 0.0 110.766 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.1 170.12 17.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.976 -1.077 . . . . 0.0 109.237 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.29 129.25 35.3 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' SER . 60.7 tttp -96.14 146.86 24.31 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.714 -1.241 . . . . 0.0 109.772 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 52.6 pttt -41.93 -23.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.671 0.748 . . . . 0.0 109.48 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 28' ' ' LYS . 50.6 m -74.55 -50.15 19.15 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.273 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.84 -34.89 79.19 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.97 -42.98 95.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.657 -0.652 . . . . 0.0 109.49 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 87.6 tttt -60.21 -40.02 88.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.271 -0.893 . . . . 0.0 110.711 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.475 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 99.7 mt-10 -70.02 -30.71 68.07 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.941 -1.1 . . . . 0.0 109.123 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 6.6 tt -69.99 -42.43 73.09 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 121.214 -0.929 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.98 -49.05 35.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.344 -0.847 . . . . 0.0 112.31 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.562 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 25.4 p30 -84.78 -24.5 28.71 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.28 -1.513 . . . . 0.0 112.843 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.562 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m120 -94.91 -35.86 11.85 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.537 -1.352 . . . . 0.0 111.018 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.8 tp10 -88.68 -17.6 29.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -128.72 37.75 4.05 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -60.08 -50.2 74.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.794 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.37 -32.09 11.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.618 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.7 t80 -66.96 -34.64 78.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.113 -0.992 . . . . 0.0 110.768 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.82 159.97 39.69 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.069 -1.019 . . . . 0.0 109.066 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.243 -0.91 . . . . 0.0 108.586 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.37 155.37 32.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.515 -0.74 . . . . 0.0 109.392 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.436 ' CD1' HH12 ' Y' ' 104' ' ' ARG . 30.9 mm -79.78 140.02 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 O-C-N 120.955 -1.091 . . . . 0.0 108.761 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -20.33 13.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.027 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.1 tp10 -139.94 139.35 36.13 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.181 -0.949 . . . . 0.0 108.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' B' ' 51' ' ' GLU . 2.7 pp0? -65.32 -22.28 66.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.108 -0.995 . . . . 0.0 111.126 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.622 ' N ' ' NE2' ' B' ' 50' ' ' GLN . 18.7 pt-20 -60.17 -38.93 84.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.647 -1.283 . . . . 0.0 109.24 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.07 -39.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.5 -39.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.12 -39.57 90.51 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -60.68 -41.01 94.23 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.453 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 11.8 t -68.21 -31.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.9 mmm -70.01 -30.28 67.55 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.323 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.09 -39.97 83.83 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.078 -1.639 . . . . 0.0 106.655 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -84.21 -39.97 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.793 -0.567 . . . . 0.0 111.419 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 tp -86.88 -18.98 29.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.116 -0.99 . . . . 0.0 110.139 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.5 t0 -80.83 66.44 6.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -57.7 -39.29 76.85 Favored 'General case' 0 C--N 1.288 -2.076 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.098 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -75.43 -16.83 60.3 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.12 31.65 75.26 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 33.1 p-10 -105.83 7.46 32.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.157 -1.202 . . . . 0.0 109.763 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.63 2.49 88.12 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 56.3 mt-10 -139.5 137.77 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.596 -0.943 . . . . 0.0 109.211 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 9.1 p -99.85 130.39 46.04 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.239 -0.913 . . . . 0.0 109.002 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 9.1 t70 -74.72 171.11 14.51 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.4 t80 -56.57 -40.03 74.49 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.094 -1.004 . . . . 0.0 109.22 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.3 -39.63 85.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.07 -42.9 96.81 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.992 -1.068 . . . . 0.0 110.19 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.69 -36.44 82.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.472 -0.768 . . . . 0.0 109.758 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.95 -37.5 79.72 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.338 0.589 . . . . 0.0 110.486 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.781 -1.199 . . . . 0.0 111.075 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.11 -38.59 89.47 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.991 -1.068 . . . . 0.0 109.635 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -39.85 82.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-O 121.547 0.689 . . . . 0.0 110.14 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.56 ' HG ' ' N ' ' B' ' 79' ' ' MET . 59.6 p -64.35 -40.03 95.06 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.947 -0.701 . . . . 0.0 111.133 -177.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.56 ' N ' ' HG ' ' B' ' 78' ' ' SER . 21.0 mtm -74.52 -40.49 61.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.802 -1.159 . . . . 0.0 110.83 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.32 -39.91 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.131 -0.98 . . . . 0.0 109.098 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -39.95 87.49 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -53.08 -37.54 61.75 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.49 92.48 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' B' ' 88' ' ' PHE . 31.9 t -59.89 -37.45 79.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 110.22 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.0 -40.84 90.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.672 -1.268 . . . . 0.0 108.27 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.51 -39.47 91.1 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -80.75 -23.76 39.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER -93.89 19.42 8.97 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.366 1.079 . . . . 0.0 108.219 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -92.32 -115.07 0.09 Allowed 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -71.92 -39.95 69.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-N 116.133 -0.485 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.33 0.586 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -77.12 160.49 28.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.575 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' X' ' 94' ' ' LEU . 2.8 mm? -79.55 155.39 28.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.201 -0.937 . . . . 0.0 109.565 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -97.55 95.01 7.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.198 -0.938 . . . . 0.0 109.504 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 96' ' ' SER . . . . . 0.583 ' HG ' ' N ' ' X' ' 97' ' ' LYS . 85.6 p -72.04 -40.03 68.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 0.0 109.805 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . 0.583 ' N ' ' HG ' ' X' ' 96' ' ' SER . 37.2 ttpt -132.62 120.01 21.22 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.495 -0.753 . . . . 0.0 109.632 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -113.29 8.88 18.21 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.313 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.52 53.54 0.89 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.04 159.99 25.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -1.169 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.528 ' O ' ' N ' ' X' ' 103' ' ' SER . 84.7 p -49.95 -25.67 3.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.334 -0.853 . . . . 0.0 109.192 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.411 ' C ' ' O ' ' X' ' 101' ' ' SER . 13.8 t -40.29 -24.45 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.459 0.647 . . . . 0.0 109.669 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 101' ' ' SER . 64.3 m -52.86 -32.88 47.17 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.393 -0.817 . . . . 0.0 109.081 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.69 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.04 -40.44 89.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.214 -0.929 . . . . 0.0 109.182 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.69 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 48.9 t-80 -61.53 -39.99 93.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.06 -1.025 . . . . 0.0 109.102 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.04 -30.34 69.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 109.5 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -59.81 -40.06 87.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.149 -0.97 . . . . 0.0 108.404 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 tp -73.85 -26.79 60.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.337 -0.852 . . . . 0.0 109.686 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.606 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -58.35 -24.41 59.68 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.395 -1.441 . . . . 0.0 110.274 -179.529 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -40.66 -41.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.085 -1.01 . . . . 0.0 109.177 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 19.3 pttt -69.97 -36.69 75.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.805 -0.559 . . . . 0.0 109.542 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.504 ' N ' ' O ' ' X' ' 109' ' ' MET . 37.6 p -63.11 -29.03 70.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.309 -0.869 . . . . 0.0 109.335 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 . 179.731 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.324 0.583 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -77.19 160.65 28.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 0.0 109.509 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' Y' ' 94' ' ' LEU . 2.9 mm? -79.74 155.4 27.98 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.212 -0.93 . . . . 0.0 109.603 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -97.51 94.95 7.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.51 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . 0.569 ' HG ' ' N ' ' Y' ' 97' ' ' LYS . 83.0 p -72.26 -40.05 67.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.928 . . . . 0.0 109.809 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . 0.569 ' N ' ' HG ' ' Y' ' 96' ' ' SER . 35.8 ttpt -132.44 120.05 21.45 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.422 -0.799 . . . . 0.0 109.609 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -113.42 8.93 18.05 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.61 -0.681 . . . . 0.0 109.33 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.66 53.85 0.93 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.02 160.04 26.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.255 -1.144 . . . . 0.0 109.327 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.523 ' O ' ' N ' ' Y' ' 103' ' ' SER . 87.7 p -50.03 -25.76 3.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.261 -0.899 . . . . 0.0 109.115 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.42 ' C ' ' O ' ' Y' ' 101' ' ' SER . 13.6 t -40.19 -24.51 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.405 0.622 . . . . 0.0 109.688 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 101' ' ' SER . 60.2 m -52.86 -32.72 46.3 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.356 -0.84 . . . . 0.0 109.022 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.678 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.1 -40.56 90.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.224 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.678 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 48.0 t-80 -61.5 -40.11 93.4 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.94 -30.25 68.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.96 -40.06 87.76 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.104 -0.998 . . . . 0.0 108.438 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.524 ' CD2' ' HZ3' ' Y' ' 111' ' ' LYS . 3.2 tp -73.8 -27.04 60.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.344 -0.848 . . . . 0.0 109.753 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -58.1 -24.38 58.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.387 -1.445 . . . . 0.0 110.183 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.512 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 4.1 p90 -40.71 -41.49 1.54 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.168 -0.957 . . . . 0.0 109.19 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.524 ' HZ3' ' CD2' ' Y' ' 108' ' ' LEU . 19.3 pttt -70.06 -37.58 75.55 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.793 -0.567 . . . . 0.0 109.501 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.503 ' N ' ' O ' ' Y' ' 109' ' ' MET . 38.3 p -61.44 -30.02 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.257 -0.902 . . . . 0.0 109.561 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 . -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.2 t 62.13 11.29 4.26 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.338 -0.851 . . . . 0.0 110.355 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.54 24.45 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.047 . . . . 0.0 108.872 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.542 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.4 tp -60.03 -31.88 70.38 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -64.8 -37.36 87.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.657 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.04 -40.04 95.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.0 83.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.7 mtt -61.72 -39.97 93.42 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.317 -0.865 . . . . 0.0 109.896 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.86 -40.01 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.0 96.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.7 -0.625 . . . . 0.0 111.691 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.07 -39.94 87.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.751 -1.218 . . . . 0.0 107.939 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.52 -40.02 85.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 O-C-N 121.829 -0.545 . . . . 0.0 110.775 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 41.1 t0 -60.39 -47.65 85.16 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.756 -1.215 . . . . 0.0 111.42 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -39.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.259 -0.9 . . . . 0.0 110.78 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.213 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HE2' ' CD2' ' B' ' 85' ' ' HIS . 17.9 m-70 -68.45 -24.67 64.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.109 -0.994 . . . . 0.0 110.451 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.92 -41.6 96.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.632 -1.293 . . . . 0.0 110.133 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HH ' ' N ' ' A' ' 39' ' ' GLU . 62.5 m-85 -92.57 -38.9 11.65 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.895 -1.128 . . . . 0.0 111.919 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 p -60.48 -40.15 90.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 110.356 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.97 -12.33 81.3 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.97 -46.92 87.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -1.178 . . . . 0.0 109.114 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -87.21 -76.0 0.38 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 109.722 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.78 -27.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.605 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.19 7.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.727 -1.455 . . . . 0.0 109.396 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.0 -39.93 75.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.018 -1.052 . . . . 0.0 110.208 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.1 -20.0 46.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.295 -0.878 . . . . 0.0 110.947 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 41.8 tttt -131.62 154.45 48.88 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.179 -0.951 . . . . 0.0 109.949 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 tp -125.72 139.3 53.65 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.462 -0.773 . . . . 0.0 109.274 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' SER . 31.6 ttpt -108.59 148.6 30.08 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -43.45 -24.12 0.09 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.877 . . . . 0.0 109.979 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 20.8 t -73.69 -51.66 15.91 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.033 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.01 -39.41 94.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.0 -40.26 88.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.23 -39.99 88.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 109.612 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.93 -39.45 93.53 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 0.0 109.152 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.0 tt -61.01 -49.93 75.44 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.014 -1.054 . . . . 0.0 108.994 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.55 -48.31 53.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.406 -0.809 . . . . 0.0 111.344 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.3 t-20 -64.22 -40.5 96.17 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.136 -0.977 . . . . 0.0 112.678 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 5.2 m120 -99.07 -34.62 10.32 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.199 -0.938 . . . . 0.0 113.0 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.537 ' N ' ' HH ' ' A' ' 17' ' ' TYR . 18.4 tt0 -80.07 -9.27 59.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.387 -1.446 . . . . 0.0 109.938 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 mt -141.6 50.31 1.58 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.06 -42.73 95.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.284 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -119.63 -26.12 5.8 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.242 -0.911 . . . . 0.0 110.132 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -61.67 -40.01 93.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.136 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -131.83 160.07 36.7 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.641 -1.223 . . . . 0.0 108.963 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.63 147.23 49.97 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -87.2 135.59 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.868 -1.145 . . . . 0.0 108.551 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -107.05 -17.43 14.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.466 -0.771 . . . . 0.0 110.123 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -140.11 142.43 36.05 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -61.0 -26.84 67.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.651 -0.656 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.01 -37.23 79.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.92 -1.113 . . . . 0.0 110.222 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.05 -40.01 82.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.896 -1.128 . . . . 0.0 108.1 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.64 -37.77 80.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.03 -39.67 90.68 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.037 0.923 . . . . 0.0 109.671 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -66.81 -40.01 87.9 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.13 -28.77 44.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.48 -35.69 79.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -54.57 -37.91 66.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 106.942 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -80.66 -48.26 12.88 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.879 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.7 mt -89.35 -13.77 37.13 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.866 -1.146 . . . . 0.0 111.121 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 57' ' ' MET . 46.7 t0 -80.93 60.84 4.31 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.21 -40.04 84.57 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -74.82 -11.09 60.06 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.77 31.19 74.76 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.1 p-10 -107.67 6.65 27.95 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -1.144 . . . . 0.0 110.166 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 77.69 9.0 87.17 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -140.01 138.43 35.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.854 -0.792 . . . . 0.0 108.936 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 130.54 56.03 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.52 160.04 33.19 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.611 -0.681 . . . . 0.0 109.202 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.428 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.2 t80 -47.69 -36.67 11.58 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.05 -49.35 78.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.513 0.673 . . . . 0.0 109.853 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.0 mt-10 -60.01 -39.95 87.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 110.629 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.38 -31.6 71.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.407 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.428 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -60.04 -36.44 77.29 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.81 . . . . 0.0 109.413 -178.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.865 -1.147 . . . . 0.0 109.588 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -36.56 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.588 0.708 . . . . 0.0 109.411 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -61.77 -41.76 98.12 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.644 -0.66 . . . . 0.0 110.625 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.1 mtm -75.42 -41.67 55.46 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.489 -1.284 . . . . 0.0 111.427 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.72 -37.32 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.089 -1.007 . . . . 0.0 109.915 -178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 122.165 0.983 . . . . 0.0 108.852 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -56.51 -38.7 72.17 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.68 83.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.1 m -59.99 -35.9 76.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.43 -0.794 . . . . 0.0 109.63 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.479 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 13.3 t-80 -59.95 -40.72 89.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.003 . . . . 0.0 108.837 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.66 -39.96 90.29 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -78.45 -47.85 16.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.515 -0.741 . . . . 0.0 110.258 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 3.8 t80 -95.28 70.02 3.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.321 -0.862 . . . . 0.0 109.111 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.98 103.52 9.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.307 -0.87 . . . . 0.0 108.918 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -80.12 98.13 7.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.483 -0.761 . . . . 0.0 109.666 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 . 179.499 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.307 0.575 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.545 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.3 t 62.11 11.31 4.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.297 -0.877 . . . . 0.0 110.4 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.62 24.61 0.15 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.058 -1.026 . . . . 0.0 108.867 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.5 tp -60.02 -32.03 70.51 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.804 -0.759 . . . . 0.0 108.953 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -64.64 -37.5 87.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.159 -0.963 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.94 -40.03 95.51 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.9 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.01 83.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 110.349 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -61.92 -39.95 93.79 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.904 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.68 -39.98 86.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.02 96.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.784 -0.572 . . . . 0.0 111.682 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -39.99 87.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.717 -1.239 . . . . 0.0 107.97 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.55 -39.95 85.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 O-C-N 121.786 -0.571 . . . . 0.0 110.902 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 41.2 t0 -60.53 -47.51 85.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.767 -1.208 . . . . 0.0 111.459 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -39.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.16 -0.963 . . . . 0.0 110.791 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.61 -39.19 83.41 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.123 -0.985 . . . . 0.0 109.241 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.479 ' HE2' ' CD2' ' A' ' 85' ' ' HIS . 18.3 m-70 -68.52 -24.55 64.67 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.479 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.94 -41.7 96.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.581 -1.324 . . . . 0.0 110.074 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.53 -39.07 11.57 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.857 -1.152 . . . . 0.0 111.873 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 44.7 p -60.34 -40.03 89.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.777 -1.202 . . . . 0.0 110.403 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.01 -12.34 81.22 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.06 -46.88 88.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -1.16 . . . . 0.0 109.082 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -87.24 -76.08 0.38 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.388 -0.82 . . . . 0.0 109.654 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.73 -27.1 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.595 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.1 7.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.446 . . . . 0.0 109.344 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.96 -39.99 75.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.978 -1.076 . . . . 0.0 110.194 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.07 -19.96 46.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.327 -0.858 . . . . 0.0 110.949 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.7 tttt -131.64 154.56 48.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.182 -0.949 . . . . 0.0 109.918 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -126.14 139.18 53.58 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.409 -0.807 . . . . 0.0 109.294 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' B' ' 30' ' ' SER . 31.9 ttpt -108.42 148.49 30.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.994 -1.066 . . . . 0.0 109.407 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -43.36 -24.2 0.09 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.28 -0.887 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.452 ' N ' ' O ' ' B' ' 28' ' ' LYS . 22.3 t -73.61 -51.52 16.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.007 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.11 -39.39 94.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.05 -40.23 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.687 -0.633 . . . . 0.0 110.437 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.24 -40.02 88.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.755 -1.216 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.98 -39.46 93.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.127 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.438 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 6.8 tt -60.99 -50.0 75.14 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.936 -1.103 . . . . 0.0 109.022 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -71.43 -48.26 54.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.435 -0.791 . . . . 0.0 111.33 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.4 t-20 -64.26 -40.61 96.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.13 -0.982 . . . . 0.0 112.66 -177.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.459 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 5.1 m120 -99.05 -34.48 10.39 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.2 -0.938 . . . . 0.0 112.977 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 18.2 tt0 -80.13 -9.51 59.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.437 -1.415 . . . . 0.0 109.881 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.36 50.15 1.61 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.245 -0.91 . . . . 0.0 109.283 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.01 -42.66 94.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.0 . . . . 0.0 110.309 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -119.59 -26.28 5.78 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.277 -0.889 . . . . 0.0 110.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.61 -39.92 92.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 110.15 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.91 160.12 36.65 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 9.0 pt-20 -54.45 112.35 0.98 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.006 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.53 146.97 50.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -86.9 135.65 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.851 -1.156 . . . . 0.0 108.52 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -107.08 -17.54 14.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.408 -0.808 . . . . 0.0 110.088 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -140.13 142.6 36.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.192 -0.942 . . . . 0.0 110.535 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -61.1 -26.83 67.94 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.771 -0.581 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.03 -37.21 79.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.825 -1.172 . . . . 0.0 110.177 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.05 -39.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.869 -1.145 . . . . 0.0 108.16 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.73 -37.56 80.01 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.28 -39.66 91.22 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.051 0.929 . . . . 0.0 109.637 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.85 -39.98 87.75 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.09 -28.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -67.36 -35.69 79.85 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.472 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -54.53 -38.04 66.11 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.142 -1.599 . . . . 0.0 106.869 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 -48.22 13.02 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 26.5 mt -89.43 -13.68 37.1 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.816 -1.177 . . . . 0.0 111.115 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.7 t0 -80.93 60.78 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -59.17 -39.96 84.15 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.97 -11.0 60.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.27 74.61 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 33.0 p-10 -107.69 6.54 27.81 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.277 -1.131 . . . . 0.0 110.161 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 77.74 9.03 87.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 108.143 -1.983 . . . . 0.0 108.143 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -139.97 138.42 35.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.885 -0.773 . . . . 0.0 108.945 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.83 130.39 56.11 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.43 159.98 33.21 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.6 -0.687 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.2 t80 -47.66 -36.71 11.47 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.99 -49.28 78.31 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.544 0.688 . . . . 0.0 109.852 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 40.8 mt-10 -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 110.612 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -67.54 -31.42 71.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.956 -1.09 . . . . 0.0 109.417 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.433 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.449 -179.076 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.71 71.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.926 -1.109 . . . . 0.0 110.617 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.03 -39.98 87.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.815 -1.178 . . . . 0.0 109.488 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -36.78 77.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.583 0.706 . . . . 0.0 109.371 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -61.83 -41.64 98.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.649 -0.657 . . . . 0.0 110.646 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.2 mtm -75.5 -41.55 55.01 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.4 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.89 -37.11 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.822 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.04 -40.02 87.92 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 122.104 0.954 . . . . 0.0 108.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 m -56.35 -38.9 72.01 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.81 83.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 23.4 m -59.9 -35.75 75.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 109.643 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.467 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 13.2 t-80 -59.96 -40.87 90.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.116 -0.99 . . . . 0.0 108.849 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.48 -40.05 89.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -78.57 -47.77 16.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.509 -0.744 . . . . 0.0 110.217 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 3.7 t80 -95.28 70.12 3.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.341 -0.849 . . . . 0.0 109.061 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -80.06 103.53 10.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.374 -0.829 . . . . 0.0 108.919 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -80.13 98.16 7.18 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.394 -0.816 . . . . 0.0 109.702 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 . 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -69.97 -22.23 63.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.181 -0.95 . . . . 0.0 109.559 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.12 128.62 34.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 108.769 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -60.57 -40.02 90.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.844 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 22.4 t -83.21 136.72 34.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.145 -0.972 . . . . 0.0 109.488 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -91.05 115.1 27.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.289 -0.882 . . . . 0.0 109.058 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -149.8 161.51 42.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.209 -0.932 . . . . 0.0 109.185 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.51 41.78 5.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.04 140.03 58.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.129 -1.218 . . . . 0.0 108.812 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 75.6 m -51.26 -25.2 5.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.107 -0.996 . . . . 0.0 109.224 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.409 ' O ' ' N ' ' X' ' 105' ' ' HIS . 44.4 m -50.02 -28.68 7.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 0.0 109.146 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 45.9 t -49.97 -29.13 7.93 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.08 -39.98 87.98 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' X' ' 109' ' ' MET . 40.2 m80 -66.52 -33.38 75.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.17 -32.79 70.23 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 38.0 ttpt -59.94 -39.0 84.06 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.4 -28.11 68.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 110.08 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -64.13 -24.57 67.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.636 -1.29 . . . . 0.0 110.115 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.656 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.0 -38.45 7.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.534 -1.354 . . . . 0.0 110.378 -178.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.656 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.35 -39.18 33.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.695 -1.253 . . . . 0.0 109.87 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.15 -30.62 38.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.856 -1.153 . . . . 0.0 108.726 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 . 179.414 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -70.0 -22.37 63.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.235 -0.915 . . . . 0.0 109.515 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.9 tp -81.99 128.63 34.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.738 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -60.6 -39.95 90.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.255 -0.903 . . . . 0.0 109.904 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 25.1 t -83.35 136.96 34.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.129 -0.982 . . . . 0.0 109.422 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -91.4 114.9 27.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -149.62 161.52 42.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.243 -0.911 . . . . 0.0 109.236 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.67 41.76 5.94 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.97 140.06 58.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.118 -1.224 . . . . 0.0 108.826 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -51.3 -25.3 5.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.177 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.407 ' O ' ' N ' ' Y' ' 105' ' ' HIS . 48.9 m -49.97 -28.78 7.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 0.0 109.118 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 46.5 t -50.01 -29.15 8.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.95 -40.21 88.21 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 39.7 m80 -66.46 -33.27 75.32 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.36 -32.43 70.11 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 38.2 ttpt -60.0 -39.23 85.08 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.21 -28.28 68.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.523 -0.736 . . . . 0.0 110.046 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -63.94 -24.6 67.79 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.7 -1.25 . . . . 0.0 110.162 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.647 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.06 -38.45 7.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.584 -1.322 . . . . 0.0 110.347 -178.574 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.647 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.58 -37.86 35.32 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.743 -1.223 . . . . 0.0 110.05 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -30.01 55.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.923 -1.111 . . . . 0.0 108.54 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 0.0 . 179.235 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.45 0.643 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 p 50.72 22.03 1.04 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.458 -0.776 . . . . 0.0 109.369 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.95 -8.78 57.47 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.538 0.685 . . . . 0.0 109.363 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tt -51.31 -22.94 3.14 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.69 -0.632 . . . . 0.0 110.061 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.93 -40.05 79.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.526 -1.359 . . . . 0.0 109.183 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -70.16 -32.29 70.18 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.03 79.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.849 -0.532 . . . . 0.0 110.769 -178.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -66.67 -39.92 88.38 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.095 -1.003 . . . . 0.0 109.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.14 -37.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.955 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.45 72.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.304 -0.872 . . . . 0.0 110.341 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.74 -34.81 29.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.892 -0.505 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.15 -43.59 95.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.893 -178.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -25.05 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.184 -0.947 . . . . 0.0 109.777 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.88 -40.88 90.2 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.714 -1.242 . . . . 0.0 108.984 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -80.42 -22.65 40.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.431 -0.793 . . . . 0.0 110.433 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -53.38 -47.61 69.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.743 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -111.34 -25.98 9.37 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 121.249 -0.907 . . . . 0.0 111.918 -178.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.1 t -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.718 -1.239 . . . . 0.0 110.152 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.88 90.39 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -59.99 -48.85 80.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.037 -1.272 . . . . 0.0 109.855 -179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -89.97 -79.86 0.33 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.223 -0.923 . . . . 0.0 109.975 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.03 -28.91 0.02 OUTLIER Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.433 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' LYS . 22.4 m-20 -73.38 72.26 1.31 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.922 -1.34 . . . . 0.0 108.505 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.99 -49.88 75.93 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.615 -0.678 . . . . 0.0 110.95 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -89.75 -4.43 57.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.058 -1.026 . . . . 0.0 111.464 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 23' ' ' ASP . 18.6 mtpp -135.31 158.11 45.21 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.006 -1.059 . . . . 0.0 110.602 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -125.98 131.76 52.18 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.824 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.7 mttt -103.96 159.99 15.19 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -49.0 -24.62 1.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 28' ' ' LYS . 25.3 t -74.37 -45.38 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.781 179.104 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -70.05 -34.36 73.11 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.89 -42.96 94.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -62.53 -36.51 82.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.558 -0.714 . . . . 0.0 110.067 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.905 -1.122 . . . . 0.0 109.417 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 1.3 tt -68.95 -45.35 70.95 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.956 -1.09 . . . . 0.0 108.975 178.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.4 mt -69.94 -41.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.445 -0.785 . . . . 0.0 111.866 -177.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' C ' HD21 ' A' ' 38' ' ' ASN . 10.9 t-20 -71.1 -39.79 71.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.788 -1.195 . . . . 0.0 111.205 -179.164 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.547 ' N ' HD21 ' A' ' 38' ' ' ASN . 2.0 m120 -100.95 -32.93 10.4 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.5 tp10 -81.68 -14.95 55.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.376 -1.453 . . . . 0.0 110.74 -176.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 mt -115.82 54.85 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.418 -0.801 . . . . 0.0 109.263 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -60.06 -40.4 89.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.124 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.34 -16.56 0.56 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.023 -1.048 . . . . 0.0 110.595 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.5 -45.77 92.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.837 -1.165 . . . . 0.0 109.382 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -134.27 149.09 50.9 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.524 ' O ' ' NH2' ' X' ' 104' ' ' ARG . 88.6 tt0 -56.18 114.11 1.83 Allowed 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.482 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.6 pm0 -66.65 170.48 6.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.646 -0.659 . . . . 0.0 109.693 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.4 mt -98.28 140.01 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 -24.48 10.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.57 -0.706 . . . . 0.0 110.512 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 59.5 mp0 -115.34 139.94 49.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.431 -0.793 . . . . 0.0 109.181 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -17.86 63.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.108 -0.995 . . . . 0.0 109.457 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.24 -39.97 94.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.949 -1.095 . . . . 0.0 109.802 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.13 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.97 -40.06 85.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.91 -39.22 91.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.467 -0.771 . . . . 0.0 109.867 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -67.44 -39.93 85.4 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.878 0.847 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.69 -29.57 44.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 80.9 mmm -74.17 -26.0 60.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.764 -0.775 . . . . 0.0 109.047 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -39.95 87.75 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -79.29 -40.5 30.28 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.1 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.53 -20.06 27.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.043 -1.036 . . . . 0.0 110.495 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.7 t0 -80.3 62.11 4.32 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -76.3 -11.64 59.94 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.4 31.11 79.65 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 11.3 p30 -107.18 7.87 29.74 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.281 -1.129 . . . . 0.0 110.175 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.22 1.85 86.39 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -141.04 151.34 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.526 -0.985 . . . . 0.0 109.055 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -118.23 138.67 52.18 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -83.25 171.84 13.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.141 -0.974 . . . . 0.0 109.56 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -52.01 -39.99 60.3 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.165 -0.959 . . . . 0.0 108.756 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -60.42 -51.58 68.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 110.575 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.21 -40.57 96.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.784 -1.198 . . . . 0.0 110.292 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.99 -34.2 74.41 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.478 -0.764 . . . . 0.0 109.956 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.0 -36.76 77.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.366 -0.834 . . . . 0.0 109.818 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.99 73.74 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.004 -1.078 . . . . 0.0 111.311 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.08 -39.96 87.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.919 -1.113 . . . . 0.0 110.364 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -36.03 76.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-O 121.42 0.629 . . . . 0.0 109.522 -178.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.07 -40.72 98.51 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.536 -0.728 . . . . 0.0 110.085 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.3 mtp -73.39 -43.59 60.24 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.288 -0.883 . . . . 0.0 111.518 -178.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.24 -37.96 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.096 -1.003 . . . . 0.0 109.894 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.96 -39.85 87.06 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -53.38 -39.99 64.66 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.41 82.81 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.25 -34.77 70.82 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -59.99 -40.69 90.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.063 -1.023 . . . . 0.0 108.276 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.84 -40.04 91.34 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.22 -41.31 77.22 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.91 70.85 4.03 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -83.66 81.28 8.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.415 -0.803 . . . . 0.0 109.206 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.792 . . . . 0.0 . -179.833 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.386 0.612 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.9 p 50.59 21.99 0.99 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.831 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.07 -8.66 57.18 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.612 -0.68 . . . . 0.0 109.474 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.4 -23.23 3.59 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.664 -0.648 . . . . 0.0 109.943 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -68.59 -40.09 80.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.693 -1.254 . . . . 0.0 109.235 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.99 78.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.92 -0.488 . . . . 0.0 110.698 -178.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -66.85 -40.03 87.76 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.014 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.99 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.556 -0.715 . . . . 0.0 109.953 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.78 72.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.377 -0.827 . . . . 0.0 110.293 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.06 84.81 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.2 -35.06 32.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.911 -0.493 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.063 -1.023 . . . . 0.0 110.922 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.98 -25.07 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.145 -0.972 . . . . 0.0 109.788 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.71 -41.63 91.24 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.696 -1.252 . . . . 0.0 108.875 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -80.22 -22.12 42.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.456 -0.778 . . . . 0.0 110.546 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -54.0 -47.65 71.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.091 -1.006 . . . . 0.0 110.587 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -111.0 -26.15 9.42 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 121.274 -0.891 . . . . 0.0 111.962 -178.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.669 -1.269 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.83 -4.89 90.34 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.313 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.051 -1.264 . . . . 0.0 110.215 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -89.99 -79.83 0.33 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.358 -0.839 . . . . 0.0 110.003 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.14 -28.86 0.02 OUTLIER Glycine 0 N--CA 1.493 2.468 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.395 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' B' ' 26' ' ' LYS . 22.3 m-20 -73.1 72.31 1.17 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.799 -1.413 . . . . 0.0 108.553 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.94 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 0.0 110.95 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -90.02 -4.32 57.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.033 -1.042 . . . . 0.0 111.455 -178.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.0 mtpp -135.25 158.29 44.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.958 -1.089 . . . . 0.0 110.601 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -126.04 131.89 52.08 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.782 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' B' ' 30' ' ' SER . 94.4 mttt -104.09 160.17 15.07 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -49.38 -24.53 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' C ' ' B' ' 28' ' ' LYS . 27.3 t -74.28 -45.51 47.21 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.774 179.136 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -69.91 -34.23 73.23 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.04 -42.39 94.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.586 -0.696 . . . . 0.0 109.152 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -63.41 -36.23 83.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.531 -0.731 . . . . 0.0 109.989 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.989 -1.069 . . . . 0.0 109.558 -178.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -69.72 -44.75 69.68 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.858 -1.137 . . . . 0.0 108.93 179.269 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -70.02 -41.33 79.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.465 -0.772 . . . . 0.0 111.837 -177.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.502 ' C ' HD21 ' B' ' 38' ' ' ASN . 10.7 t-20 -71.17 -39.94 71.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.82 -1.175 . . . . 0.0 111.265 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.556 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.9 m120 -100.98 -32.41 10.64 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.265 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.5 tp10 -81.75 -15.06 55.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.422 -1.423 . . . . 0.0 110.661 -176.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.0 mt -115.85 55.34 0.79 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.439 -0.788 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.95 -40.85 90.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.34 -0.85 . . . . 0.0 110.058 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -144.16 -16.51 0.58 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.021 -1.05 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.54 -45.85 92.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.833 -1.167 . . . . 0.0 109.429 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.31 149.16 50.87 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.497 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 88.3 tt0 -56.11 113.58 1.59 Allowed 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.49 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 1.6 pm0 -66.31 170.79 5.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.563 -0.711 . . . . 0.0 109.665 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 81.7 mt -98.6 139.96 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.228 -0.92 . . . . 0.0 109.46 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -24.12 10.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.605 -0.685 . . . . 0.0 110.471 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 59.6 mp0 -115.46 140.07 49.47 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.368 -0.832 . . . . 0.0 109.123 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -17.74 63.35 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.4 pt-20 -62.35 -40.05 95.12 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.965 -1.084 . . . . 0.0 109.811 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 87.4 t -60.12 -39.94 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.93 -39.97 85.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.63 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -62.2 -38.95 91.09 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.471 -0.768 . . . . 0.0 109.837 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -67.68 -40.03 84.44 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.926 0.87 . . . . 0.0 108.945 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.45 -29.57 44.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 80.3 mmm -74.26 -26.06 59.99 Favored 'General case' 0 C--O 1.199 -1.559 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.106 179.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.99 -40.0 87.67 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 178.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -79.54 -39.94 30.71 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.101 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.05 -19.93 26.43 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.994 -1.066 . . . . 0.0 110.39 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -80.49 62.25 4.52 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.98 -37.37 79.43 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -76.34 -11.81 59.96 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.17 31.25 80.07 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 11.9 p30 -107.22 7.75 29.58 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.283 -1.128 . . . . 0.0 110.065 -179.498 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.493 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.14 2.18 86.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.7 pt-20 -141.4 151.29 43.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -1.018 . . . . 0.0 108.873 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -118.51 138.52 52.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -82.96 171.95 13.31 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -51.97 -39.99 60.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.29 -0.881 . . . . 0.0 108.775 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.48 -51.69 68.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.825 . . . . 0.0 110.537 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -61.94 -41.15 97.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.884 -1.135 . . . . 0.0 110.337 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.58 -34.31 74.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.4 -0.812 . . . . 0.0 109.991 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -36.51 77.18 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.33 -0.856 . . . . 0.0 109.783 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.42 74.82 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 118.936 -1.105 . . . . 0.0 111.408 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.04 -40.03 87.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.832 -1.167 . . . . 0.0 110.301 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -35.82 75.68 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.224 0 CA-C-O 121.402 0.62 . . . . 0.0 109.603 -178.6 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.908 -179.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.69 -43.07 60.34 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 111.505 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.66 -38.12 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.115 -0.991 . . . . 0.0 109.877 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.01 84.08 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.456 ' H ' ' HG1' ' B' ' 82' ' ' THR . 4.0 m -53.92 -40.32 66.6 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.7 81.56 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 -34.66 71.09 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.0 -40.95 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.995 -1.065 . . . . 0.0 108.401 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.74 -40.03 90.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.2 -41.59 76.9 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -93.65 70.82 4.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -73.1 105.8 4.69 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -83.44 81.07 8.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.514 -0.741 . . . . 0.0 109.22 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.433 -0.792 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.05 -40.14 88.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.024 -1.047 . . . . 0.0 109.203 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' X' ' 94' ' ' LEU . 3.2 mm? -72.1 144.01 48.83 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.319 -0.863 . . . . 0.0 108.803 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.77 130.11 35.08 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.144 -0.973 . . . . 0.0 109.528 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 27.1 t -80.69 152.18 28.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.458 -0.776 . . . . 0.0 109.946 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 59.9 46.19 11.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -100.92 139.1 37.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.304 -0.873 . . . . 0.0 109.475 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.42 -11.81 2.74 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.129 -1.589 . . . . 0.0 109.129 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -103.66 128.83 50.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.968 . . . . 0.0 109.628 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.44 ' O ' ' N ' ' X' ' 103' ' ' SER . 66.1 m -69.95 -25.42 63.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 108.837 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.499 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 1.5 t -42.8 -24.7 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.446 0.641 . . . . 0.0 109.736 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.44 ' N ' ' O ' ' X' ' 101' ' ' SER . 58.6 m -48.15 -24.7 1.21 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 45' ' ' GLU . 4.5 ptm180 -58.18 -35.01 70.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 0.0 110.337 -179.136 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 7.2 p80 -60.01 -38.93 84.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.963 -1.086 . . . . 0.0 109.47 -179.53 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.632 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 35.8 ttpt -59.97 -32.39 70.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.474 -0.766 . . . . 0.0 109.194 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.73 -42.73 93.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.02 -1.05 . . . . 0.0 109.176 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.48 -26.07 60.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.882 -1.136 . . . . 0.0 109.63 178.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.521 ' O ' ' N ' ' X' ' 112' ' ' THR . 39.1 mmt -57.24 -24.24 53.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.587 -1.321 . . . . 0.0 109.55 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.41 -41.51 6.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.816 -1.177 . . . . 0.0 109.011 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.503 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 23.2 pttt -69.47 -32.53 71.5 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.521 ' N ' ' O ' ' X' ' 109' ' ' MET . 85.1 m -60.75 -39.92 90.5 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -178.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.428 -0.795 . . . . 0.0 . -179.817 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.05 -40.39 89.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.0 -1.063 . . . . 0.0 109.15 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' Y' ' 94' ' ' LEU . 3.0 mm? -71.73 143.53 49.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 108.956 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -82.08 130.11 34.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.996 . . . . 0.0 109.586 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 28.0 t -80.67 151.92 28.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.907 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 60.06 45.91 11.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.413 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -100.69 139.14 36.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.306 -0.871 . . . . 0.0 109.38 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.16 -11.5 2.8 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -103.87 128.7 51.33 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.461 -1.023 . . . . 0.0 109.586 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.443 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.6 m -69.84 -25.17 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 108.924 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.502 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 1.6 t -42.81 -24.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.559 0.695 . . . . 0.0 109.683 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.7 m -48.36 -24.83 1.35 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 109.313 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.497 ' NH2' ' O ' ' B' ' 45' ' ' GLU . 4.4 ptm180 -57.98 -35.03 70.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.32 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 7.0 p80 -59.97 -39.07 84.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.857 -1.152 . . . . 0.0 109.443 -179.483 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.639 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 35.9 ttpt -59.99 -32.29 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 109.192 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.38 -43.05 92.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.947 -1.095 . . . . 0.0 109.175 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.45 -26.03 60.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.865 -1.147 . . . . 0.0 109.506 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' Y' ' 112' ' ' THR . 38.4 mmt -57.22 -24.45 54.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.541 -1.349 . . . . 0.0 109.584 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.06 -41.76 5.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.875 -1.141 . . . . 0.0 109.056 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 25.8 pttt -69.22 -33.32 73.12 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' Y' ' 109' ' ' MET . 89.7 m -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.064 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 . -179.668 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.209 0.528 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.06 20.18 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 109.72 179.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.05 -5.91 44.36 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.47 0.653 . . . . 0.0 109.796 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.0 tp -44.06 -24.38 0.15 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.589 -0.694 . . . . 0.0 110.402 -178.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -67.42 -40.04 85.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.554 -1.341 . . . . 0.0 109.045 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.52 -39.98 73.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.496 -0.752 . . . . 0.0 110.02 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.97 94.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.805 . . . . 0.0 111.079 -178.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -67.01 -39.96 87.2 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.033 -1.042 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.5 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.259 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.25 67.49 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.346 -0.846 . . . . 0.0 111.41 -178.399 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.46 -37.32 77.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.92 -47.0 87.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.988 -1.07 . . . . 0.0 111.145 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -38.99 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.891 -1.13 . . . . 0.0 109.685 -179.405 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 36.1 t80 -56.23 -39.95 73.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.465 -1.397 . . . . 0.0 108.595 -179.589 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.664 ' HE2' ' HE2' ' B' ' 85' ' ' HIS . 31.6 m170 -69.87 -21.84 63.3 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.241 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.97 -43.7 94.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 110.421 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.555 ' HH ' ' CA ' ' A' ' 39' ' ' GLU . 64.7 m-85 -97.23 -36.26 10.49 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.799 -1.188 . . . . 0.0 112.196 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.545 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 58.0 m -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.944 -1.097 . . . . 0.0 111.122 -177.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.26 -4.2 67.9 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 119.945 -1.121 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -70.05 -45.68 66.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.809 -1.406 . . . . 0.0 110.525 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.57 161.06 17.87 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.523 -0.736 . . . . 0.0 110.252 -178.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -45.7 -23.65 1.0 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.528 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.7 m-20 -72.02 57.98 0.34 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.956 -1.32 . . . . 0.0 108.44 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.3 mtmt -66.4 -39.99 89.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.467 -0.77 . . . . 0.0 110.892 -178.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 85.6 t60 -87.68 -7.74 57.03 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.136 -0.978 . . . . 0.0 111.453 -178.121 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.0 ptpt -144.83 167.7 21.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.802 -1.186 . . . . 0.0 109.733 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -120.44 127.4 52.21 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.4 tttp -92.29 149.24 21.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 178.811 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.3 pttm -45.02 -22.86 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.7 t -80.05 -49.92 11.09 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.219 0.533 . . . . 0.0 109.701 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 60.4 tt0 -68.53 -34.34 75.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.99 -41.42 92.03 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.662 -0.649 . . . . 0.0 109.712 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' NZ ' ' OE1' ' A' ' 50' ' ' GLN . 88.0 tttt -60.03 -39.97 87.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 -179.098 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.05 -39.99 91.93 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.5 tt -60.87 -48.91 79.63 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.241 -0.912 . . . . 0.0 109.118 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 36' ' ' ILE . 77.3 mt -74.29 -46.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.315 -0.865 . . . . 0.0 112.09 -178.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.531 ' N ' HD21 ' A' ' 37' ' ' ASN . 1.3 m-80 -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 112.608 -176.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.4 -38.78 9.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.172 -0.955 . . . . 0.0 112.494 -176.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' CA ' ' HH ' ' A' ' 17' ' ' TYR . 23.8 tt0 -67.41 -40.06 85.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.443 -1.411 . . . . 0.0 108.905 -178.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -99.79 63.67 1.22 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 110.002 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -135.86 -17.07 1.69 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.281 -0.887 . . . . 0.0 109.955 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.73 -41.24 97.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.068 -1.02 . . . . 0.0 109.966 -179.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 tt -130.96 153.33 49.31 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -59.42 113.91 2.42 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.057 -179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 37' ' ' ASN . 31.6 mt-10 -56.45 166.38 0.9 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.708 0.766 . . . . 0.0 109.706 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mm -95.56 140.03 17.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -108.65 -14.11 14.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.461 -0.774 . . . . 0.0 109.988 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -137.09 149.15 47.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.202 -0.936 . . . . 0.0 110.81 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' OE1' ' NZ ' ' A' ' 33' ' ' LYS . 9.5 mm100 -69.73 -24.99 63.63 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.1 pt-20 -60.75 -39.98 90.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.744 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 95.0 t -60.13 -39.95 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.046 -1.034 . . . . 0.0 108.667 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.24 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.82 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -67.48 -35.21 78.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.341 -0.849 . . . . 0.0 109.934 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HZ1' ' CE ' ' X' ' 109' ' ' MET . 84.8 tttt -68.52 -40.0 80.99 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.714 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -63.91 -35.2 72.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.614 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.99 -26.1 63.93 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.575 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.95 -40.06 87.71 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.6 m -82.78 -37.91 23.92 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.38 178.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -87.63 -18.11 30.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.081 -1.012 . . . . 0.0 110.786 -177.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 57' ' ' MET . 58.9 t0 -80.92 61.44 4.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 59.4 mt-10 -60.01 -39.96 87.58 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.717 -177.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -84.96 -2.85 58.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.0 -1.062 . . . . 0.0 108.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.75 34.53 87.64 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.375 178.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 44.9 p-10 -104.93 -0.71 26.71 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.102 -1.234 . . . . 0.0 110.102 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.532 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.46 4.46 87.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 29.6 mt-10 -137.94 133.53 33.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.629 -0.924 . . . . 0.0 108.537 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 p -95.4 122.2 37.87 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.034 -1.041 . . . . 0.0 108.724 179.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -77.96 170.56 16.39 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -178.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 3.3 t80 -44.66 -44.12 8.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -62.15 -49.98 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.522 -0.736 . . . . 0.0 110.326 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -61.55 -40.04 93.24 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.283 -0.886 . . . . 0.0 110.666 -178.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -68.7 -29.12 67.49 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.942 -1.099 . . . . 0.0 109.413 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.502 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.0 OUTLIER -59.99 -39.51 85.98 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.368 -179.075 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.99 -33.27 71.83 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.879 -1.138 . . . . 0.0 110.605 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -34.46 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 0.0 110.03 -178.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 3.3 p -68.94 -39.38 79.6 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.189 -0.944 . . . . 0.0 109.419 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.55 -45.76 74.72 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 111.495 -178.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.28 -35.4 62.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.034 -1.042 . . . . 0.0 110.148 -178.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -60.09 -40.01 88.14 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.498 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 4.1 m -54.36 -37.81 65.37 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.0 87.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.492 -0.755 . . . . 0.0 109.41 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 t -60.21 -38.63 83.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 0.0 109.522 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.665 ' HE2' ' HE2' ' B' ' 15' ' ' HIS . 43.3 t-80 -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.222 -179.714 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.68 -41.14 97.15 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.676 179.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -77.51 -40.0 44.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.47 -0.769 . . . . 0.0 109.547 179.169 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.78 61.64 4.82 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.86 106.8 5.74 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.126 -0.984 . . . . 0.0 108.451 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -59.97 -39.07 84.4 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.711 -0.618 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.071 0.462 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 49.8 20.1 0.51 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.015 -1.053 . . . . 0.0 109.682 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -74.2 -5.81 44.12 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.622 -0.674 . . . . 0.0 109.895 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.4 tp -43.98 -24.51 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.652 -0.655 . . . . 0.0 110.343 -178.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.2 tt0 -67.15 -40.17 86.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.572 -1.33 . . . . 0.0 109.14 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.43 -39.97 74.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.587 -0.696 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.01 93.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 110.995 -178.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.5 mtt -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.951 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.22 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.293 -0.88 . . . . 0.0 111.457 -178.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.99 -40.04 87.82 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.42 -37.3 77.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.357 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.03 -46.9 87.98 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.006 -1.058 . . . . 0.0 111.116 -178.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -39.02 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.927 -1.108 . . . . 0.0 109.618 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.536 ' CE1' ' OG ' ' B' ' 18' ' ' SER . 35.6 t80 -56.36 -39.96 73.74 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.421 -1.424 . . . . 0.0 108.587 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.665 ' HE2' ' HE2' ' A' ' 85' ' ' HIS . 31.6 m170 -69.69 -22.06 63.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.205 -0.935 . . . . 0.0 109.318 179.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.99 -43.53 95.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.127 -0.983 . . . . 0.0 110.397 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.53 ' HH ' ' CA ' ' B' ' 39' ' ' GLU . 64.4 m-85 -97.11 -36.34 10.51 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.767 -1.208 . . . . 0.0 112.293 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.536 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 54.8 m -59.97 -40.05 87.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.984 -1.072 . . . . 0.0 111.193 -177.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -4.28 67.43 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -70.24 -45.6 66.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.775 -1.426 . . . . 0.0 110.528 -179.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.48 161.13 17.71 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.517 -0.739 . . . . 0.0 110.312 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -45.87 -23.45 1.03 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.17 58.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.962 -1.316 . . . . 0.0 108.319 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 22' ' ' GLY . 51.1 mtmt -66.6 -40.04 88.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.774 . . . . 0.0 110.799 -178.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.415 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 85.6 t60 -87.78 -7.33 57.44 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.009 -1.057 . . . . 0.0 111.434 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -144.95 167.75 21.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.787 -1.196 . . . . 0.0 109.684 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -120.52 127.27 52.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.6 tttp -92.25 149.42 21.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.3 pttm -45.06 -22.81 0.11 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.924 0.869 . . . . 0.0 108.906 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.6 t -79.86 -50.17 10.88 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.268 0.556 . . . . 0.0 109.759 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.466 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 60.7 tt0 -68.63 -34.03 75.04 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.657 -0.652 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.439 ' NZ ' ' OE1' ' B' ' 50' ' ' GLN . 88.1 tttt -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.835 -179.172 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -61.27 -39.99 92.44 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.441 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.8 tt -60.79 -49.31 78.02 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.477 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.99 -46.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.32 -0.863 . . . . 0.0 112.166 -178.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.523 HD21 ' N ' ' B' ' 37' ' ' ASN . 1.3 m-80 -69.98 -40.03 75.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 112.693 -176.637 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.43 -38.52 10.0 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.165 -0.959 . . . . 0.0 112.473 -176.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.53 ' CA ' ' HH ' ' B' ' 17' ' ' TYR . 24.9 tt0 -67.53 -40.06 85.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.474 -1.391 . . . . 0.0 108.898 -178.545 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.8 63.62 1.22 Allowed 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -59.92 -40.07 87.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 -179.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -135.8 -17.09 1.7 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.233 -0.917 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.83 -40.94 97.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.062 -1.023 . . . . 0.0 110.069 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -131.19 153.19 49.7 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.19 114.16 2.49 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.656 -1.217 . . . . 0.0 108.976 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 31.0 mt-10 -56.75 166.32 0.99 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.726 0.774 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.52 139.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -108.6 -14.36 14.64 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.544 -0.723 . . . . 0.0 109.989 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.8 148.99 47.5 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.986 . . . . 0.0 110.883 -179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.439 ' OE1' ' NZ ' ' B' ' 33' ' ' LYS . 9.5 mm100 -69.38 -24.82 63.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.071 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.0 pt-20 -60.91 -39.98 91.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.438 -0.789 . . . . 0.0 110.692 -178.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 93.2 t -60.08 -39.98 81.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 108.583 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.16 -36.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -67.48 -35.08 78.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 109.917 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.69 -40.02 80.26 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.01 -35.14 72.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -69.97 -26.15 63.96 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 20.9 m -82.71 -38.24 23.62 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 178.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 0.8 OUTLIER -87.37 -18.11 30.79 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.093 -1.004 . . . . 0.0 110.855 -177.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.7 t0 -80.91 61.28 4.46 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 178.662 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.5 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 57.9 mt-10 -60.04 -40.14 88.33 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.691 -177.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -84.7 -2.78 58.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.989 -1.07 . . . . 0.0 108.964 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 34.65 88.1 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.382 178.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 45.4 p-10 -105.05 -0.41 26.79 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.076 -1.25 . . . . 0.0 109.996 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.538 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.16 4.45 86.43 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 30.9 mt-10 -137.96 133.53 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.584 -0.95 . . . . 0.0 108.462 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.49 122.24 38.02 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.128 -0.982 . . . . 0.0 108.705 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -78.0 170.59 16.36 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -178.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 3.2 t80 -44.72 -43.86 8.77 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -62.21 -50.03 73.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.519 -0.738 . . . . 0.0 110.307 179.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 49.0 mt-10 -61.65 -40.03 93.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.23 -0.919 . . . . 0.0 110.641 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -68.78 -29.0 67.28 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.91 -1.119 . . . . 0.0 109.358 179.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.498 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -59.97 -39.54 85.97 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.49 -179.175 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -70.01 -33.38 71.94 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.785 -1.197 . . . . 0.0 110.063 -179.562 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.06 -40.01 87.99 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.861 -1.149 . . . . 0.0 110.598 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -34.39 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.504 -0.748 . . . . 0.0 110.055 -178.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 3.2 p -69.02 -39.08 79.48 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.231 -0.918 . . . . 0.0 109.465 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.9 mtp -68.0 -45.66 73.44 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 111.487 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.97 -35.55 64.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.138 -0.976 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.4 m -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.562 ' CG2' ' HZ2' ' Y' ' 111' ' ' LYS . 4.2 m -54.57 -37.6 65.67 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.42 178.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 t -59.99 -39.04 84.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.574 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.664 ' HE2' ' HE2' ' A' ' 15' ' ' HIS . 43.9 t-80 -60.05 -40.54 89.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.102 -0.999 . . . . 0.0 109.08 -179.344 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.36 -41.33 96.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.173 -0.954 . . . . 0.0 108.677 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -77.48 -39.99 44.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.625 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.78 61.89 4.89 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.1 106.72 5.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.049 -1.032 . . . . 0.0 108.401 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.95 -38.89 83.79 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.68 -0.637 . . . . 0.0 . 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -84.56 138.79 32.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 86.5 mt -94.86 142.85 26.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.886 . . . . 0.0 108.851 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -143.04 160.0 41.2 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 96' ' ' SER . . . . . 0.44 ' C ' ' H ' ' X' ' 98' ' ' LYS . 47.9 t -97.75 -162.02 0.92 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.368 -0.832 . . . . 0.0 109.679 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -77.43 27.71 0.16 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 110.066 -179.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' X' ' 96' ' ' SER . 91.9 mttt -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 109.05 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.98 154.83 53.15 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -130.61 159.95 35.66 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.42 ' O ' ' N ' ' X' ' 103' ' ' SER . 53.2 m -56.29 -27.08 54.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.057 . . . . 0.0 109.252 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 8.1 t -44.15 -24.73 0.17 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.441 -0.787 . . . . 0.0 109.371 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.42 ' N ' ' O ' ' X' ' 101' ' ' SER . 73.2 m -59.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.276 -0.89 . . . . 0.0 109.066 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.14 -40.02 88.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.656 -1.278 . . . . 0.0 108.354 178.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.466 ' HD1' ' CE ' ' X' ' 109' ' ' MET . 10.0 t-80 -59.4 -30.43 68.45 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.365 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.93 -34.3 73.04 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 47.7 mtmt -59.91 -39.32 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.376 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 41.4 tp -70.05 -25.54 63.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.713 178.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.466 ' CE ' ' HD1' ' X' ' 105' ' ' HIS . 59.5 mtt -66.41 -24.47 66.47 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.809 -1.182 . . . . 0.0 110.061 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.72 -34.48 5.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 108.869 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -73.77 -39.55 64.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.145 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.434 ' N ' ' O ' ' X' ' 109' ' ' MET . 72.7 p -60.04 -32.21 70.7 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.526 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 . 179.746 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -84.48 138.83 32.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.93 142.5 27.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.303 -0.873 . . . . 0.0 108.933 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -142.94 160.03 41.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 109.741 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . 0.437 ' C ' ' H ' ' Y' ' 98' ' ' LYS . 47.0 t -97.71 -162.05 0.92 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.409 -0.807 . . . . 0.0 109.69 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -77.48 27.72 0.16 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' Y' ' 96' ' ' SER . 92.0 mttt -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.175 -0.953 . . . . 0.0 108.989 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.91 154.71 53.1 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -130.71 159.7 36.47 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.428 ' O ' ' N ' ' Y' ' 103' ' ' SER . 53.4 m -56.13 -27.0 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.944 -1.098 . . . . 0.0 109.285 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 8.0 t -44.19 -24.67 0.17 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.495 -0.753 . . . . 0.0 109.333 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.428 ' N ' ' O ' ' Y' ' 101' ' ' SER . 75.5 m -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.324 -0.86 . . . . 0.0 109.0 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -60.47 -39.96 89.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.65 -1.281 . . . . 0.0 108.366 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.447 ' HD1' ' CE ' ' Y' ' 109' ' ' MET . 10.1 t-80 -59.32 -30.35 68.29 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.98 -34.29 73.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.402 -0.811 . . . . 0.0 108.955 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 48.8 mtmt -59.8 -39.33 84.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.256 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.92 -25.92 63.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.555 -0.715 . . . . 0.0 109.687 178.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.447 ' CE ' ' HD1' ' Y' ' 105' ' ' HIS . 62.2 mtt -66.23 -24.42 66.6 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.839 -1.163 . . . . 0.0 110.089 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.61 -34.64 5.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.917 -1.114 . . . . 0.0 108.902 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.581 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -73.51 -40.01 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.165 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 71.6 p -59.98 -31.51 69.97 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.642 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 0.0 . 179.738 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 2' ' ' GLU . 52.8 tpp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 3' ' ' LEU . 67.6 m 52.5 8.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.3 pt-20 -75.7 22.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.272 -0.893 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 1' ' ' SER . 2.3 tm? -60.04 -37.51 80.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.315 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -61.77 -38.98 90.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.431 -0.793 . . . . 0.0 109.868 179.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.96 -39.97 93.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.026 -1.046 . . . . 0.0 108.455 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.01 91.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.585 -0.697 . . . . 0.0 109.48 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.6 mtt -62.07 -40.05 94.47 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.875 0.845 . . . . 0.0 110.055 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.6 -37.81 80.33 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 O-C-N 121.819 -0.551 . . . . 0.0 110.02 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.35 80.47 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.441 -0.787 . . . . 0.0 111.467 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.01 -39.93 87.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.838 -1.164 . . . . 0.0 108.434 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.64 -40.0 81.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.626 -0.671 . . . . 0.0 110.963 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.83 -45.23 90.5 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.614 -1.304 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.02 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.094 -1.003 . . . . 0.0 110.659 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CD2' ' CD1' ' A' ' 70' ' ' PHE . 87.0 t80 -60.02 -39.62 86.45 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.86 -1.15 . . . . 0.0 108.967 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.82 -27.12 68.02 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.098 -1.001 . . . . 0.0 110.016 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.0 -41.86 92.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 110.651 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -96.69 -33.56 11.69 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.76 -1.212 . . . . 0.0 112.492 -178.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -64.65 -39.95 94.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.903 -1.123 . . . . 0.0 111.057 -178.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 -9.58 86.88 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.559 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 79.7 tt0 -94.48 -3.03 50.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 109.081 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.71 -6.81 79.91 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -82.52 69.77 9.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.838 -1.389 . . . . 0.0 108.402 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -70.01 -42.21 73.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.883 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -79.03 -13.75 59.59 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.054 -1.029 . . . . 0.0 111.32 -178.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 65' ' ' ASP . 44.1 tttt -141.68 159.95 41.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.822 -1.174 . . . . 0.0 109.46 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.02 129.86 54.45 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' A' ' 30' ' ' SER . 35.4 ttpt -102.98 140.46 37.22 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.891 -1.13 . . . . 0.0 109.544 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -38.96 -23.38 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.413 0.625 . . . . 0.0 109.82 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.7 m -72.7 -54.57 8.62 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.425 -178.167 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 21' ' ' GLU . 61.7 mt-10 -67.31 -28.68 68.2 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.999 -1.063 . . . . 0.0 108.215 179.195 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.08 -48.42 81.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.439 -0.788 . . . . 0.0 109.55 179.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 64.5 tttm -61.32 -39.97 92.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.143 -0.973 . . . . 0.0 110.758 -179.093 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.35 -36.51 83.93 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 109.26 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.92 -50.0 65.96 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.031 -1.043 . . . . 0.0 108.829 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.56 -48.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.536 -0.727 . . . . 0.0 111.382 -177.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.03 -38.7 66.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.883 -1.136 . . . . 0.0 112.296 -177.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 2.0 m120 -98.35 -36.44 9.99 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.427 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 24.3 tt0 -83.0 -13.27 56.26 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.24 -1.538 . . . . 0.0 109.95 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 5.1 mt -143.13 45.21 1.55 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.951 . . . . 0.0 109.073 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -60.0 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.192 -0.943 . . . . 0.0 110.397 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -100.34 -12.51 19.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.152 -0.967 . . . . 0.0 110.373 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.92 -9.92 54.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.087 -1.008 . . . . 0.0 109.476 -179.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.28 170.17 21.26 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -68.79 119.5 13.26 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.698 -1.201 . . . . 0.0 108.462 179.397 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.49 144.08 56.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -89.69 135.3 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.094 -1.004 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -108.61 -24.66 11.26 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.371 -0.831 . . . . 0.0 109.775 -178.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -124.09 149.79 45.77 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.835 0.826 . . . . 0.0 111.06 -178.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 14.0 mm100 -69.99 -21.7 63.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.181 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.42 -40.06 89.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 111.038 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.06 -40.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.887 -1.133 . . . . 0.0 108.518 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.64 -32.79 58.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.25 -34.24 72.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.819 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.04 -40.0 75.41 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.17 -34.33 69.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -60.58 -39.97 89.98 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.105 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -53.84 -38.89 65.12 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.167 -1.583 . . . . 0.0 107.471 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 m -80.01 -45.95 17.48 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.884 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 21.6 mt -90.06 -15.78 31.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.816 -1.177 . . . . 0.0 110.819 -178.246 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.4 t0 -81.42 62.03 5.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -38.71 83.22 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.76 -13.18 60.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.85 30.7 73.6 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.205 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 26' ' ' LYS . 34.6 p-10 -107.6 7.69 28.78 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.097 -1.237 . . . . 0.0 109.73 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 7.49 88.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.0 mt-10 -139.95 131.85 27.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.38 46.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.144 -0.973 . . . . 0.0 108.914 -179.612 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 54.8 t0 -61.89 157.94 17.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.101 -0.999 . . . . 0.0 109.063 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.3 t80 -46.82 -38.95 11.01 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.306 -0.872 . . . . 0.0 108.816 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.2 -37.04 77.91 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.408 -0.807 . . . . 0.0 110.029 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 42.9 mt-10 -61.71 -42.91 99.58 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.728 -1.232 . . . . 0.0 109.994 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -63.39 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.083 . . . . 0.0 109.006 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 89.3 mtp -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.666 -0.646 . . . . 0.0 110.519 -178.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.79 73.01 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.69 -1.256 . . . . 0.0 110.167 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.96 -32.31 70.69 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.8 t -61.28 -40.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.475 ' HG ' ' N ' ' B' ' 75' ' ' ALA . 26.6 t -66.07 -39.99 90.5 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.501 -0.749 . . . . 0.0 110.171 -178.486 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtp -68.56 -43.05 77.42 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.183 -0.948 . . . . 0.0 112.084 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.31 -30.6 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.769 -1.207 . . . . 0.0 109.985 -178.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.6 m -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.9 m -60.01 -39.72 86.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.85 86.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.02 -34.94 74.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.379 -0.825 . . . . 0.0 109.511 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.19 -39.2 81.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.974 . . . . 0.0 108.752 -179.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.93 -40.04 87.58 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.3 -23.27 23.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.156 -0.965 . . . . 0.0 110.374 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -92.35 -0.03 57.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.014 -1.054 . . . . 0.0 109.077 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -68.73 -97.8 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.86 -2.57 58.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.987 -1.071 . . . . 0.0 108.947 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.41 -0.806 . . . . 0.0 . -179.796 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.499 ' C ' ' H ' ' B' ' 2' ' ' GLU . 53.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.521 ' C ' ' H ' ' B' ' 3' ' ' LEU . 62.9 m 52.16 8.42 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.338 -0.851 . . . . 0.0 109.914 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' B' ' 0' ' ' MET . 18.5 pt-20 -75.87 22.37 0.15 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 108.97 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' B' ' 1' ' ' SER . 2.3 tm? -59.95 -37.9 80.89 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -61.25 -39.53 90.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.462 -0.774 . . . . 0.0 109.88 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.54 -40.0 93.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.037 -1.04 . . . . 0.0 108.533 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.97 91.99 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.566 -0.709 . . . . 0.0 109.48 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.6 mtt -62.26 -39.94 94.54 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.56 -37.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.72 -0.613 . . . . 0.0 110.046 -179.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.49 81.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -0.835 . . . . 0.0 111.508 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.841 -1.162 . . . . 0.0 108.448 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.69 -39.94 80.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.691 -0.631 . . . . 0.0 110.997 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.79 -45.36 90.05 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.617 -1.302 . . . . 0.0 111.78 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -40.04 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.114 -0.992 . . . . 0.0 110.72 -178.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' B' ' 70' ' ' PHE . 87.5 t80 -59.94 -39.78 86.73 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 109.068 -179.171 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -65.57 -27.17 68.24 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.157 -0.964 . . . . 0.0 110.108 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -41.87 92.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.993 -1.067 . . . . 0.0 110.583 -178.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -96.71 -34.01 11.52 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.781 -1.199 . . . . 0.0 112.484 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -64.19 -40.05 95.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.837 -1.164 . . . . 0.0 111.038 -178.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -9.84 86.66 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.357 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -1.191 . . . . 0.0 109.521 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 79.5 tt0 -94.56 -3.12 50.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.473 -0.767 . . . . 0.0 109.005 -179.689 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.77 -6.74 79.74 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 26' ' ' LYS . 91.5 m-20 -82.46 69.7 9.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.888 -1.36 . . . . 0.0 108.466 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -69.95 -42.41 73.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.305 -0.872 . . . . 0.0 110.868 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -78.92 -13.84 59.57 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.111 -0.993 . . . . 0.0 111.304 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' B' ' 65' ' ' ASP . 45.9 tttt -141.63 160.0 41.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.805 -1.184 . . . . 0.0 109.441 -179.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.07 129.8 54.38 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -178.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' B' ' 30' ' ' SER . 35.2 ttpt -103.0 140.55 37.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.939 -1.101 . . . . 0.0 109.498 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -39.01 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.499 0.666 . . . . 0.0 109.84 -179.897 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.8 m -72.98 -54.16 9.32 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.575 -178.25 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' B' ' 21' ' ' GLU . 61.3 mt-10 -67.67 -28.46 67.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.974 -1.079 . . . . 0.0 108.105 179.103 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.99 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.536 -0.727 . . . . 0.0 109.593 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.411 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 64.5 tttm -61.23 -39.99 92.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.224 -0.923 . . . . 0.0 110.762 -178.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.48 -36.35 83.45 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.115 -0.99 . . . . 0.0 109.239 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.97 -50.01 65.84 Favored 'General case' 0 C--N 1.289 -2.038 0 O-C-N 121.117 -0.989 . . . . 0.0 108.846 178.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.41 -49.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 111.348 -178.05 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.72 -38.89 67.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.968 -1.082 . . . . 0.0 112.343 -177.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.506 ' N ' ' ND2' ' B' ' 38' ' ' ASN . 2.1 m120 -98.26 -36.85 9.89 Favored 'General case' 0 N--CA 1.506 2.333 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' B' ' 40' ' ' LEU . 24.0 tt0 -82.45 -13.48 56.69 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.241 -1.537 . . . . 0.0 110.029 -177.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' B' ' 39' ' ' GLU . 5.3 mt -143.05 45.1 1.57 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.156 -0.965 . . . . 0.0 109.046 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.7 t -60.06 -49.89 75.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.168 -0.958 . . . . 0.0 110.403 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -100.18 -12.3 19.71 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.164 -0.96 . . . . 0.0 110.472 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -87.16 -10.07 53.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.0 -1.062 . . . . 0.0 109.45 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.04 170.45 20.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -68.95 119.57 13.47 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.779 -1.201 . . . . 0.0 108.434 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 144.29 56.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -89.91 135.31 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.13 -0.981 . . . . 0.0 108.914 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -108.52 -24.73 11.27 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.395 -0.815 . . . . 0.0 109.917 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.17 149.92 45.77 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.763 0.792 . . . . 0.0 110.94 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.9 mm100 -69.98 -21.77 63.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.132 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.41 -39.94 89.18 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.478 -0.764 . . . . 0.0 111.048 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.01 -40.04 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.904 -1.123 . . . . 0.0 108.5 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.8 -32.66 57.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 122.001 -0.437 . . . . 0.0 109.884 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.33 -34.22 72.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.367 -0.833 . . . . 0.0 109.688 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -69.97 -39.99 75.64 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.47 -33.95 67.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -60.78 -40.05 91.12 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.026 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -53.73 -38.87 64.77 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.178 -1.576 . . . . 0.0 107.503 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -79.98 -46.12 17.23 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.863 -179.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 22.0 mt -89.88 -15.63 31.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.835 -1.166 . . . . 0.0 110.916 -178.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.6 t0 -81.51 61.57 5.0 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.71 -38.51 81.8 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -73.75 -13.44 60.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.33 30.1 73.22 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' B' ' 26' ' ' LYS . 34.8 p-10 -107.47 7.92 29.17 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.13 -1.218 . . . . 0.0 109.883 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.96 7.39 88.55 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.446 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.0 mt-10 -139.92 131.91 27.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.24 46.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.204 -0.935 . . . . 0.0 108.904 -179.528 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 55.2 t0 -61.81 158.1 16.62 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.995 -1.066 . . . . 0.0 109.085 -179.261 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.3 t80 -46.89 -38.9 11.16 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 108.938 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 110.015 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 42.9 mt-10 -61.56 -42.8 99.37 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.718 -1.239 . . . . 0.0 110.011 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.54 -38.35 90.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.999 -1.063 . . . . 0.0 108.936 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 89.2 mtp -59.96 -38.85 83.69 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.568 -0.708 . . . . 0.0 110.505 -178.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.475 ' N ' ' HG ' ' A' ' 78' ' ' SER . . . -62.99 -31.87 73.1 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.741 -1.224 . . . . 0.0 110.13 -179.173 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.94 -32.37 70.72 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.454 ' O ' ' OG1' ' B' ' 81' ' ' THR . 11.0 t -61.36 -40.08 84.96 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.409 0.624 . . . . 0.0 110.066 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.0 t -65.96 -40.0 90.91 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.492 -0.755 . . . . 0.0 110.193 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtp -68.72 -43.17 76.54 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 112.064 -177.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.46 -30.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -178.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 93.9 m -60.31 -40.04 89.16 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.521 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.5 m -59.98 -39.54 86.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.99 87.21 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 88' ' ' PHE . 18.0 m -59.99 -34.93 73.98 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.804 . . . . 0.0 109.5 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.078 -1.014 . . . . 0.0 108.834 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.342 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -88.25 -23.33 23.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.192 -0.943 . . . . 0.0 110.387 -179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 84' ' ' CYS . 5.3 m-85 -92.33 0.02 57.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.086 -1.009 . . . . 0.0 109.02 -179.404 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -68.87 -97.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.384 -0.822 . . . . 0.0 109.572 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -2.58 58.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.963 -1.086 . . . . 0.0 108.889 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 . -179.786 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -135.47 147.72 48.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.33 -40.01 89.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.466 -0.771 . . . . 0.0 109.797 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -94.96 -163.65 1.07 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 59.99 39.69 19.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.637 -0.664 . . . . 0.0 110.1 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -120.78 123.98 43.98 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.673 0.749 . . . . 0.0 109.399 179.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.019 -1.051 . . . . 0.0 110.738 -179.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.59 154.36 29.61 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -123.17 143.46 50.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.635 -0.92 . . . . 0.0 109.171 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -61.65 -25.21 67.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.102 -0.999 . . . . 0.0 109.539 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 39.2 p -47.77 -24.9 1.07 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 58.4 m -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.07 -1.019 . . . . 0.0 108.683 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -65.6 -40.07 92.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.457 ' O ' ' SD ' ' X' ' 109' ' ' MET . 75.7 t60 -59.98 -39.94 87.41 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.556 -0.715 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.03 -31.04 69.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.259 -0.901 . . . . 0.0 108.793 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.494 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 48.9 tttm -59.67 -37.62 79.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.711 -1.243 . . . . 0.0 107.683 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.98 -27.41 66.56 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.716 -0.615 . . . . 0.0 110.056 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -62.49 -24.72 67.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.649 -1.282 . . . . 0.0 109.998 179.706 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.645 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.7 -36.94 26.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.696 -1.253 . . . . 0.0 109.471 -179.198 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.645 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -72.32 -39.04 68.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.166 -0.959 . . . . 0.0 109.505 179.227 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' X' ' 109' ' ' MET . 67.7 p -58.92 -27.47 65.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.007 -1.058 . . . . 0.0 108.61 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.586 -0.696 . . . . 0.0 . 179.466 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -135.75 147.99 48.64 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.371 -0.831 . . . . 0.0 109.718 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.78 -39.97 90.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.449 -0.782 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -95.04 -163.7 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -178.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 60.0 40.03 19.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.646 -0.658 . . . . 0.0 110.058 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -121.05 123.9 43.5 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 121.71 0.767 . . . . 0.0 109.365 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -70.02 -39.99 75.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.914 -1.116 . . . . 0.0 110.674 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.6 154.17 29.42 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -123.16 143.49 49.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.622 -0.929 . . . . 0.0 109.202 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 22.2 m -61.56 -25.33 67.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.168 -0.958 . . . . 0.0 109.606 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 37.4 p -47.74 -24.9 1.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 -179.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 58.8 m -59.98 -39.98 87.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.077 -1.015 . . . . 0.0 108.698 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -65.59 -40.03 92.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.155 -0.965 . . . . 0.0 108.456 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.467 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 77.1 t60 -59.97 -40.02 87.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 109.359 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.77 -31.3 69.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 108.742 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 53.0 tttm -59.44 -37.96 79.45 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.209 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.8 -27.41 66.72 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.721 -0.612 . . . . 0.0 110.0 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.57 -24.76 67.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.67 -1.269 . . . . 0.0 109.976 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.71 -36.88 26.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.492 -179.202 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -72.54 -38.15 68.07 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 179.284 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 77.1 p -59.99 -27.38 66.8 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.474 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.546 -0.721 . . . . 0.0 . 179.397 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.408 ' H3 ' ' H ' ' A' ' 1' ' ' SER . 96.8 mmm . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 60.58 18.07 8.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.45 -0.781 . . . . 0.0 109.195 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.27 14.03 0.49 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 1' ' ' SER . 53.9 tp -59.93 -37.28 79.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.586 -0.696 . . . . 0.0 110.906 -178.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.09 86.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.3 mppt? -69.95 -37.45 75.83 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.55 85.16 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.723 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.1 mtt -62.91 -39.89 95.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.02 -39.9 86.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.66 93.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.948 -0.47 . . . . 0.0 111.319 -178.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.32 -40.03 85.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.661 -1.274 . . . . 0.0 108.127 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.89 -38.78 79.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.739 -0.6 . . . . 0.0 110.694 -179.474 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.1 -45.6 92.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.856 -1.152 . . . . 0.0 111.293 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -39.71 77.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 121.77 0.795 . . . . 0.0 110.256 -177.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.54 -39.9 85.45 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.54 -25.15 67.32 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.278 -0.889 . . . . 0.0 110.417 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -62.22 -42.96 99.78 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.607 -1.308 . . . . 0.0 109.73 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -89.68 -41.7 11.78 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.809 -1.182 . . . . 0.0 112.166 -179.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -62.52 -41.77 99.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.986 -1.071 . . . . 0.0 111.065 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -7.18 88.75 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' NH1' ' CD ' ' A' ' 34' ' ' GLU . 43.2 ttm180 -60.13 -47.05 87.55 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.199 -1.177 . . . . 0.0 109.449 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.02 174.8 5.9 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.586 0.708 . . . . 0.0 110.059 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -49.33 -26.93 7.26 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.633 -0.667 . . . . 0.0 111.867 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.01 48.33 0.05 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.551 -1.558 . . . . 0.0 109.492 -179.285 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 22' ' ' GLY . 9.9 ttmm -63.81 -40.91 97.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.11 -0.993 . . . . 0.0 111.101 -179.269 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -91.35 2.91 56.05 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.989 -1.069 . . . . 0.0 111.089 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -148.62 160.21 43.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.85 -1.156 . . . . 0.0 109.78 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.29 122.74 48.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.2 tttp -102.23 144.16 31.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.61 -1.306 . . . . 0.0 110.153 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.655 ' HZ3' ' N ' ' A' ' 54' ' ' ASP . 53.3 tttp -39.29 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.451 0.644 . . . . 0.0 109.38 178.571 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.5 m -77.94 -49.96 13.12 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mt-10 -64.03 -34.69 78.59 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.86 -44.69 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.709 -0.619 . . . . 0.0 109.514 -179.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -66.05 -39.56 90.23 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.245 -0.909 . . . . 0.0 111.518 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.501 ' CD ' ' NH1' ' A' ' 20' ' ' ARG . 20.9 tt0 -69.04 -31.77 70.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.817 -1.177 . . . . 0.0 109.398 -177.17 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 6.1 tt -68.51 -51.6 41.3 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.14 -0.975 . . . . 0.0 108.388 178.083 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.84 -46.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 O-C-N 121.511 -0.743 . . . . 0.0 111.198 -178.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.1 -40.15 75.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.952 -1.093 . . . . 0.0 112.121 -178.078 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -36.88 9.88 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -81.32 -12.13 59.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.335 -1.478 . . . . 0.0 109.653 -178.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -139.0 56.01 1.7 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.337 -0.852 . . . . 0.0 108.788 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 m -60.13 -40.14 88.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -0.818 . . . . 0.0 110.58 -179.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -125.22 -20.71 4.78 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.419 -0.8 . . . . 0.0 110.745 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -66.77 -38.44 86.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.786 -1.196 . . . . 0.0 109.508 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.9 tp -126.32 158.17 36.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -53.07 109.22 0.4 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.034 -1.041 . . . . 0.0 109.03 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.85 140.77 56.37 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -102.21 131.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.267 -0.896 . . . . 0.0 109.482 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -109.42 -20.76 12.79 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.425 -0.797 . . . . 0.0 110.556 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 57.4 mp0 -110.83 143.27 41.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.052 -1.03 . . . . 0.0 110.612 -178.733 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -69.88 -20.05 63.4 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.85 -38.93 92.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -0.893 . . . . 0.0 111.064 -178.083 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.87 -38.52 82.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 109.055 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' HB ' ' HZ1' ' A' ' 29' ' ' LYS . 47.0 t -69.41 -34.6 63.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.704 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.655 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . 46.2 t0 -66.59 -38.26 86.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.274 -0.891 . . . . 0.0 109.459 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 79.9 tttt -67.6 -39.94 84.76 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.65 -33.84 65.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.8 mmm -68.93 -31.5 70.43 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.82 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -55.37 -36.67 66.6 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 119.87 -1.769 . . . . 0.0 106.697 178.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.2 m -79.76 -46.5 16.9 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.4 mt -87.28 -14.83 39.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.832 -1.167 . . . . 0.0 110.695 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.5 t0 -80.79 58.36 3.31 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.362 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 74.6 mt-10 -58.05 -39.53 78.69 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.097 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.38 -16.56 62.98 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 28.6 73.07 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 47.1 p-10 -107.87 10.14 28.65 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.305 -1.115 . . . . 0.0 110.185 -179.691 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 75.22 6.55 80.2 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 84.9 mt-10 -134.32 133.05 40.27 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.58 124.9 48.98 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 42.0 t0 -62.91 161.66 12.5 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.429 -179.484 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.7 p90 -54.32 -31.32 53.96 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -62.3 -45.52 92.87 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.756 0.788 . . . . 0.0 109.037 177.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 36.9 mt-10 -64.73 -40.12 94.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.326 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.02 -28.71 67.65 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.003 -1.06 . . . . 0.0 109.153 179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -38.56 82.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.36 -0.837 . . . . 0.0 109.482 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -68.94 -33.61 74.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.964 -1.085 . . . . 0.0 110.433 -178.516 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.9 -40.05 87.47 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.02 -1.05 . . . . 0.0 109.709 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -37.81 76.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.754 -0.591 . . . . 0.0 110.43 -179.067 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 22.7 p -64.11 -40.05 95.38 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.232 -178.541 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mtm -71.45 -44.09 65.46 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.364 -178.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.62 -36.85 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.65 -1.281 . . . . 0.0 110.37 -178.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.4 m -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.2 -40.75 61.98 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.0 84.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -0.936 . . . . 0.0 108.925 178.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 m -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.78 . . . . 0.0 109.4 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -59.82 -40.12 87.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.133 -0.979 . . . . 0.0 109.21 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.08 -39.9 87.69 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.2 -37.98 27.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.584 -0.698 . . . . 0.0 109.765 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.76 60.94 4.23 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.535 -0.728 . . . . 0.0 109.253 -179.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 1.3 pm0 -57.0 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.948 -1.095 . . . . 0.0 108.985 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.03 -43.22 95.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.181 -0.949 . . . . 0.0 109.952 -179.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.488 -0.758 . . . . 0.0 . -179.915 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.511 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 59.98 18.62 7.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.17 -0.956 . . . . 0.0 109.215 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -74.88 14.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' B' ' 1' ' ' SER . 51.8 tp -59.92 -37.61 79.97 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.58 -0.7 . . . . 0.0 110.78 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -39.72 86.78 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.942 -1.099 . . . . 0.0 110.561 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.438 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.4 mppt? -69.85 -36.9 75.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.139 -0.976 . . . . 0.0 109.857 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.08 81.61 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.215 -0.928 . . . . 0.0 110.741 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.3 mtt -63.07 -39.99 96.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.831 -1.168 . . . . 0.0 108.767 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.51 -39.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.89 92.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.761 -0.587 . . . . 0.0 111.373 -178.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.79 -39.92 86.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.65 -1.281 . . . . 0.0 108.116 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.81 -39.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.793 -0.567 . . . . 0.0 110.453 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.7 -46.54 90.01 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.921 -1.112 . . . . 0.0 111.47 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -39.2 77.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 CA-C-O 121.796 0.807 . . . . 0.0 110.534 -177.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.86 -39.9 86.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.306 -0.871 . . . . 0.0 108.993 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.59 -25.19 67.29 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.41 -42.52 99.5 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.597 -1.314 . . . . 0.0 109.797 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -89.83 -42.3 11.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.706 -1.246 . . . . 0.0 112.09 -179.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -61.67 -42.59 99.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.014 -1.054 . . . . 0.0 111.071 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.87 -6.73 88.98 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.504 ' NH1' ' CD ' ' B' ' 34' ' ' GLU . 43.1 ttm180 -60.02 -47.22 86.74 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.222 -1.164 . . . . 0.0 109.407 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.95 174.69 5.96 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 121.624 0.726 . . . . 0.0 110.082 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.24 -26.89 6.96 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.613 -0.679 . . . . 0.0 111.776 -178.632 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.75 46.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.61 -1.524 . . . . 0.0 109.469 -179.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' B' ' 22' ' ' GLY . 13.2 ttmm -62.93 -41.03 99.34 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.083 -1.01 . . . . 0.0 111.083 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -90.64 1.89 56.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.235 -178.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -147.82 160.3 42.91 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.877 -1.139 . . . . 0.0 109.987 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.31 122.81 48.16 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' B' ' 30' ' ' SER . 59.1 tttp -102.69 144.1 31.5 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.547 -1.346 . . . . 0.0 110.116 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.675 ' HZ2' ' N ' ' B' ' 54' ' ' ASP . 53.2 tttp -39.1 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.424 0.63 . . . . 0.0 109.359 178.671 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.552 ' N ' ' O ' ' B' ' 28' ' ' LYS . 57.8 m -77.81 -49.11 14.98 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 28' ' ' LYS . 56.4 mt-10 -64.31 -35.36 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.96 -44.59 94.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.735 -0.603 . . . . 0.0 109.412 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -65.87 -39.88 91.12 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.202 -0.936 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.504 ' CD ' ' NH1' ' B' ' 20' ' ' ARG . 17.5 tt0 -68.71 -31.84 71.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.887 -1.133 . . . . 0.0 109.413 -177.128 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 6.9 tt -68.42 -51.72 40.72 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.232 -0.918 . . . . 0.0 108.603 178.3 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.415 HD12 HG23 ' B' ' 36' ' ' ILE . 86.3 mt -68.07 -45.98 82.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 111.023 -177.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -69.99 -40.14 75.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.955 -1.091 . . . . 0.0 112.1 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.65 -36.39 9.88 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.017 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -81.27 -12.48 59.08 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.217 -1.552 . . . . 0.0 109.535 -178.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mt -138.57 56.13 1.72 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.6 m -60.16 -40.0 88.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 110.641 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -125.6 -20.05 4.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.437 -0.79 . . . . 0.0 110.755 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.1 -38.47 85.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.81 -1.181 . . . . 0.0 109.442 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 49.1 tp -126.35 158.14 36.64 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -53.08 109.34 0.41 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.128 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.92 140.74 56.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.417 HG21 HD11 ' B' ' 47' ' ' ILE . 60.6 mt -102.13 131.01 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.296 -0.877 . . . . 0.0 109.583 -178.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -108.71 -20.87 12.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.457 -0.777 . . . . 0.0 110.548 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.3 mp0 -111.24 143.27 42.27 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.124 -0.985 . . . . 0.0 110.781 -178.664 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.407 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . 5.1 mm100 -69.9 -20.09 63.38 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.12 -38.45 90.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 0.0 111.052 -178.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.2 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 109.009 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.5 t -69.07 -35.27 67.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.675 ' N ' ' HZ2' ' B' ' 29' ' ' LYS . 46.4 t0 -66.21 -38.34 87.72 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.655 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 82.1 tttt -67.57 -40.01 84.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -179.841 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.53 -33.31 62.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.9 mmm -69.46 -31.07 69.13 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.93 -179.595 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -55.88 -36.3 67.46 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 119.985 -1.697 . . . . 0.0 106.518 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -79.83 -46.35 17.05 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.3 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.3 mt -87.73 -14.99 38.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.849 -1.157 . . . . 0.0 110.793 -178.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.45 58.43 3.16 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.515 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 73.8 mt-10 -58.17 -39.24 78.38 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.57 -15.7 62.79 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 28.51 73.28 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.4 p-10 -108.1 10.2 28.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.207 -1.172 . . . . 0.0 110.022 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.472 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 74.68 6.66 78.05 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.638 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 86.2 mt-10 -134.09 132.99 40.6 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.36 124.35 47.78 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.058 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.5 t0 -61.95 162.05 9.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.121 -0.987 . . . . 0.0 108.459 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.446 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 p90 -55.33 -30.46 60.28 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -62.76 -45.74 91.27 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.731 0.777 . . . . 0.0 108.921 177.346 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.515 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 36.4 mt-10 -64.46 -40.12 95.1 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.18 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -67.43 -29.17 68.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.878 -1.139 . . . . 0.0 109.355 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -38.82 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.567 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.455 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.42 -33.39 74.13 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.25 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -60.04 -40.0 87.87 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.0 -1.063 . . . . 0.0 109.732 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -37.32 75.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.799 -0.563 . . . . 0.0 110.406 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 19.2 p -64.86 -40.23 94.81 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.066 -1.021 . . . . 0.0 110.008 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.72 -45.04 65.62 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.079 -1.048 . . . . 0.0 111.292 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.88 -36.96 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.455 -1.403 . . . . 0.0 110.476 -178.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -39.92 87.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 108.209 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -40.6 62.68 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.32 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.39 84.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 108.828 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.97 -39.05 84.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 0.0 109.473 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.82 -40.19 87.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.073 -1.017 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.61 86.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -81.42 -38.38 26.6 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.578 0.704 . . . . 0.0 109.785 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -80.45 60.82 3.98 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.62 -0.675 . . . . 0.0 109.255 -179.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 1.4 pm0 -56.66 99.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -60.12 -43.44 95.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 110.087 -179.365 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.4 -0.812 . . . . 0.0 . 179.956 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -75.47 153.31 37.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.131 -0.981 . . . . 0.0 109.458 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.88 -39.82 86.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 108.776 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt 55.42 53.89 9.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.52 -0.737 . . . . 0.0 109.098 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -67.2 -8.66 33.13 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.359 -0.838 . . . . 0.0 109.311 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? 65.02 47.37 2.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.848 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -92.44 127.85 38.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.843 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.59 -170.23 50.02 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -135.72 139.76 43.87 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.376 -1.073 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 50.2 m -68.3 -24.75 64.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.235 -0.916 . . . . 0.0 109.001 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.592 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 4.3 m -48.25 -29.01 3.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 109.118 -179.344 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -48.08 -24.61 1.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.241 -0.912 . . . . 0.0 109.947 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.22 -39.37 75.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 109.66 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.592 ' ND1' ' O ' ' X' ' 102' ' ' THR . 19.3 p-80 -58.02 -39.66 78.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.914 -1.117 . . . . 0.0 109.187 -179.681 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 15.7 ttmt -58.64 -32.33 68.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.29 -0.881 . . . . 0.0 109.96 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -59.84 -48.32 82.16 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.153 -0.967 . . . . 0.0 109.361 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.457 ' CD1' ' HZ2' ' X' ' 111' ' ' LYS . 12.9 tp -70.0 -26.24 63.98 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.927 -1.108 . . . . 0.0 110.454 -179.659 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -58.38 -24.28 59.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.593 -1.317 . . . . 0.0 109.841 -179.725 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' X' ' 109' ' ' MET . 0.3 OUTLIER -40.25 -35.53 0.42 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.326 -0.859 . . . . 0.0 109.519 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.457 ' HZ2' ' CD1' ' X' ' 108' ' ' LEU . 8.6 mtmm -80.35 -37.34 32.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.239 -0.913 . . . . 0.0 109.427 177.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.516 ' N ' ' O ' ' X' ' 109' ' ' MET . 67.8 p -59.72 -30.86 69.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.808 -0.557 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.298 0.571 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -75.4 153.63 37.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.207 -0.933 . . . . 0.0 109.656 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -39.69 87.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.118 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt 55.41 53.31 10.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.539 -0.726 . . . . 0.0 109.149 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 50.7 m -66.79 -9.61 38.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.42 -0.8 . . . . 0.0 109.313 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? 66.49 45.6 2.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.251 -0.905 . . . . 0.0 108.893 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -89.98 127.41 36.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.395 -0.815 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.41 -170.37 50.47 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -135.41 140.13 44.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.998 . . . . 0.0 109.245 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 57.4 m -68.7 -24.83 64.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.592 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 3.7 m -48.42 -28.74 3.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.093 -1.005 . . . . 0.0 109.134 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -48.18 -24.59 1.19 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.763 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.81 -39.73 74.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 109.972 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.655 ' NE2' ' NZ ' ' B' ' 55' ' ' LYS . 20.4 p-80 -58.16 -39.57 79.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.951 -1.093 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 15.8 ttmt -58.53 -32.25 68.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.0 109.893 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -59.59 -48.71 80.59 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.342 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 12.3 tp -70.02 -25.65 63.68 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.993 -1.067 . . . . 0.0 110.396 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -24.31 62.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.475 -1.39 . . . . 0.0 109.857 -179.778 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' Y' ' 109' ' ' MET . 0.4 OUTLIER -39.91 -35.48 0.36 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.338 -0.851 . . . . 0.0 109.56 -179.386 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.454 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 9.0 mtmm -80.44 -37.43 32.01 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.266 -0.896 . . . . 0.0 109.532 177.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.512 ' N ' ' O ' ' Y' ' 109' ' ' MET . 72.1 p -60.11 -30.24 69.13 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.703 -0.623 . . . . 0.0 . 178.585 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.408 ' C ' ' H ' ' A' ' 2' ' ' GLU . 27.6 ttt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 50.8 14.67 0.19 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 109.647 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 0' ' ' MET . 97.8 mt-10 -75.93 17.41 0.33 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.141 -0.974 . . . . 0.0 108.879 178.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.8 OUTLIER -65.41 -29.42 70.12 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.683 -179.049 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -72.68 -36.41 67.88 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.028 -1.045 . . . . 0.0 110.063 -179.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -34.01 67.29 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.202 -0.936 . . . . 0.0 108.648 -179.122 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.26 71.66 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.9 -0.5 . . . . 0.0 111.275 -178.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.7 mtt -62.93 -39.91 96.02 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.898 -1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.17 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-O 121.381 0.61 . . . . 0.0 109.719 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.66 87.22 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.67 -0.644 . . . . 0.0 111.648 -178.496 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.95 -40.1 87.83 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.569 -1.332 . . . . 0.0 108.193 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.8 -37.65 78.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 O-C-N 121.848 -0.532 . . . . 0.0 110.354 179.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.05 -47.86 84.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.986 -1.071 . . . . 0.0 111.628 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -40.11 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.909 -1.119 . . . . 0.0 110.5 -178.245 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 71.5 t80 -58.36 -36.57 73.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 108.91 -179.49 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -69.79 -27.19 64.7 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.455 -0.778 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -60.31 -42.2 95.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.636 -1.29 . . . . 0.0 110.281 -179.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.98 -37.88 11.97 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.696 -1.253 . . . . 0.0 112.104 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.469 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 57.9 m -60.03 -40.0 87.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.981 -1.075 . . . . 0.0 110.303 -178.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.22 -8.09 88.04 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.04 -47.11 87.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.964 -1.315 . . . . 0.0 109.06 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 97.9 mt-10 -114.97 159.84 20.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.39 -15.09 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.5 57.92 0.74 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.726 -1.455 . . . . 0.0 109.807 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -68.55 -46.09 70.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.954 -1.091 . . . . 0.0 109.498 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.23 -19.98 49.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.565 -0.709 . . . . 0.0 111.432 -178.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.5 pttp -134.6 159.23 41.85 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.971 -1.081 . . . . 0.0 109.274 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.7 tp -120.06 130.83 54.87 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.358 -0.839 . . . . 0.0 108.756 -178.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 48.3 mtmt -94.08 153.49 18.11 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.697 -1.252 . . . . 0.0 110.032 -179.53 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -49.95 -22.9 1.71 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 47.3 t -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 41.0 mt-10 -60.21 -37.92 81.78 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.99 -41.7 92.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.913 -0.492 . . . . 0.0 109.756 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.87 -39.91 90.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.048 -1.033 . . . . 0.0 110.49 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.3 mp0 -65.53 -37.02 85.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.071 -1.018 . . . . 0.0 109.039 -179.042 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.53 -50.9 65.51 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.005 -1.059 . . . . 0.0 109.686 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.97 -43.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.511 -0.743 . . . . 0.0 111.998 -177.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.78 -39.96 76.33 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.35 -35.95 9.42 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -83.12 -10.81 58.47 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.092 -1.63 . . . . 0.0 110.224 -177.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mt -137.19 43.23 2.36 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.249 -0.907 . . . . 0.0 108.637 179.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -60.0 -40.94 90.94 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 111.749 -178.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -120.12 -22.17 6.75 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.124 -0.985 . . . . 0.0 110.455 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -68.24 -37.84 81.21 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 tp -131.89 160.16 36.53 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 7.2 pt-20 -52.63 110.63 0.53 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.995 -1.066 . . . . 0.0 108.956 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.75 135.15 57.49 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.413 -0.804 . . . . 0.0 108.907 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -80.52 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.706 -1.247 . . . . 0.0 107.658 178.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.88 -23.5 10.96 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.057 -177.018 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -123.66 141.87 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.955 0.883 . . . . 0.0 111.242 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.48 -29.19 68.91 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -39.96 88.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.376 -0.828 . . . . 0.0 110.735 -178.865 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.75 -39.84 83.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 120.641 -1.287 . . . . 0.0 108.33 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.01 -38.18 80.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 47.1 t0 -65.05 -36.97 86.04 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.467 0.651 . . . . 0.0 109.862 -179.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -67.57 -40.0 84.89 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -66.66 -34.19 68.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.618 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.9 mmm -70.57 -24.13 62.72 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -39.99 87.43 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 178.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.8 m -82.57 -36.86 25.84 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.417 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 1.6 mp -87.76 -18.8 28.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 110.694 -178.09 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -80.17 60.32 3.63 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.631 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 76.1 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.154 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.22 -12.69 60.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.79 29.16 72.65 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.5 p-10 -106.96 1.36 24.43 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.184 -1.186 . . . . 0.0 110.21 -179.431 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.0 5.55 89.52 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.256 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 68.7 mt-10 -134.67 136.92 43.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.716 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -103.39 129.23 50.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.923 -1.111 . . . . 0.0 108.522 179.75 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.3 t70 -73.7 170.1 15.95 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.643 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 11.1 t80 -50.98 -39.99 56.74 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -60.77 -49.94 75.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 0.0 110.094 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 41.7 mt-10 -61.45 -40.09 93.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.041 . . . . 0.0 110.43 -178.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.22 -35.41 80.98 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.527 ' SD ' ' O ' ' A' ' 74' ' ' MET . 4.7 tpp -59.81 -38.69 82.67 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.296 -178.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.47 68.05 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.484 -1.385 . . . . 0.0 110.809 -178.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -67.51 -26.03 66.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.996 -1.065 . . . . 0.0 110.574 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -31.89 17.95 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.293 -0.88 . . . . 0.0 108.664 -179.413 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -44.84 72.42 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.806 -0.559 . . . . 0.0 110.473 -178.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -42.19 73.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.533 -1.355 . . . . 0.0 111.344 -178.711 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.07 -35.11 74.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.861 -1.149 . . . . 0.0 109.283 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.89 -40.01 87.32 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.997 0.904 . . . . 0.0 108.669 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.11 -39.09 68.98 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.03 78.64 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.7 t -59.11 -35.81 74.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.586 -0.696 . . . . 0.0 109.449 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.83 -40.01 87.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.931 -1.106 . . . . 0.0 108.98 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.68 -39.91 95.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.679 179.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -84.03 -39.1 20.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.485 -0.759 . . . . 0.0 109.103 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' CYS . 3.0 t80 -90.21 70.03 7.19 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -79.66 98.39 6.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 108.566 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.89 -40.03 87.37 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.178 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.298 -0.876 . . . . 0.0 . 179.886 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.422 ' C ' ' H ' ' B' ' 2' ' ' GLU . 28.3 ttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 50.99 14.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -0.934 . . . . 0.0 109.701 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 0' ' ' MET . 98.2 mt-10 -75.46 17.24 0.29 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.937 . . . . 0.0 108.859 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -64.86 -29.84 70.82 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 -179.195 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.25 -36.42 69.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.016 -1.052 . . . . 0.0 110.116 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -33.86 67.18 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.25 -0.907 . . . . 0.0 108.736 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.12 -43.24 71.41 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.885 -0.509 . . . . 0.0 111.235 -178.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.005 -1.059 . . . . 0.0 109.541 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.26 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.36 0.6 . . . . 0.0 109.58 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.71 87.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.683 . . . . 0.0 111.646 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.89 -40.03 87.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.49 -1.381 . . . . 0.0 108.235 -179.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.69 -37.88 79.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.84 -0.538 . . . . 0.0 110.411 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.04 -47.78 84.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.01 -1.056 . . . . 0.0 111.624 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.97 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.931 -1.106 . . . . 0.0 110.592 -178.29 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 71.1 t80 -58.45 -36.49 73.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.048 -1.033 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.9 -27.31 64.69 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.45 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -60.08 -42.42 94.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.643 -1.286 . . . . 0.0 110.244 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.71 -37.8 12.17 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 120.749 -1.22 . . . . 0.0 112.182 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.479 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 57.1 m -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 110.25 -178.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -8.01 88.08 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.95 -47.36 86.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.962 -1.316 . . . . 0.0 109.019 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -114.88 160.09 19.9 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.563 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.27 -15.27 0.04 OUTLIER Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.3 m-20 -74.7 58.06 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.635 -1.509 . . . . 0.0 109.825 -179.233 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.46 ' HZ1' ' CB ' ' B' ' 24' ' ' LYS . 1.3 ttmp? -68.75 -46.22 69.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.885 -1.134 . . . . 0.0 109.484 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -78.97 -19.98 50.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 111.412 -178.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.4 pttp -134.52 159.19 41.91 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.89 -1.131 . . . . 0.0 109.229 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -120.06 130.69 54.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 49.4 mtmt -93.67 153.34 18.42 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.645 -1.284 . . . . 0.0 110.203 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -49.95 -22.54 1.58 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 47.6 t -74.79 -54.05 8.04 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 41.1 mt-10 -60.13 -37.84 81.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.766 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.96 -40.05 91.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.192 -0.942 . . . . 0.0 110.404 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.3 mp0 -65.22 -36.85 85.43 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.12 -0.988 . . . . 0.0 109.151 -179.14 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.8 -50.66 65.87 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.893 -1.129 . . . . 0.0 109.836 179.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.07 -43.37 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.556 -0.715 . . . . 0.0 111.863 -177.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.466 -178.064 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.47 -35.57 9.51 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -83.22 -10.62 58.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.178 -1.576 . . . . 0.0 110.175 -177.527 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 mt -137.72 43.42 2.26 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -60.11 -41.01 91.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 111.616 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -119.96 -22.3 6.79 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.091 -1.006 . . . . 0.0 110.48 -179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -67.83 -38.16 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.076 -1.015 . . . . 0.0 109.49 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -131.71 160.17 36.27 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 7.1 pt-20 -52.54 110.29 0.49 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.994 -1.067 . . . . 0.0 108.864 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -61.61 135.08 57.51 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 108.962 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.5 139.64 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.652 -1.28 . . . . 0.0 107.805 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.438 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.61 -23.51 11.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.569 -0.707 . . . . 0.0 111.111 -176.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.74 141.64 51.84 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.995 0.902 . . . . 0.0 111.162 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.39 -29.24 68.83 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -39.84 87.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.287 -0.883 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -60.66 -40.04 83.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.719 -1.238 . . . . 0.0 108.361 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.09 -38.03 79.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 46.7 t0 -65.14 -36.57 84.68 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.545 0.688 . . . . 0.0 109.924 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.8 -40.02 83.95 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.74 -34.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.626 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.8 mmm -70.79 -24.17 62.53 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.435 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -40.03 87.46 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.0 m -82.56 -36.93 25.83 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.307 178.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 1.6 mp -87.79 -18.45 29.34 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.262 -0.899 . . . . 0.0 110.761 -178.079 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.626 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -80.41 60.35 3.79 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 77.3 mt-10 -60.0 -39.9 87.35 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.001 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.58 -12.4 60.75 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.425 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.56 29.28 72.88 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.5 p-10 -107.09 1.39 24.18 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.22 -1.165 . . . . 0.0 110.232 -179.463 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.538 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.05 5.32 89.64 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -179.345 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.0 mt-10 -134.49 136.94 43.51 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.431 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -103.53 128.87 50.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.877 -1.139 . . . . 0.0 108.466 179.713 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.4 t70 -73.42 169.77 16.48 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.386 -0.821 . . . . 0.0 109.742 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.8 t80 -50.6 -40.08 51.68 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -60.71 -49.93 75.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 0.0 110.122 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 40.3 mt-10 -61.38 -39.98 92.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.046 -1.034 . . . . 0.0 110.529 -178.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -65.59 -35.21 80.16 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 109.377 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.527 ' SD ' ' O ' ' B' ' 74' ' ' MET . 4.6 tpp -60.02 -38.51 82.9 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.264 -178.716 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.31 67.7 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.518 -1.364 . . . . 0.0 110.818 -178.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -67.41 -26.02 66.23 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.926 -1.108 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.438 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.2 OUTLIER -77.71 -31.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 O-C-N 121.174 -0.954 . . . . 0.0 108.735 -179.24 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -44.89 72.81 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.785 -0.572 . . . . 0.0 110.547 -178.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -42.66 73.05 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.783 -1.198 . . . . 0.0 111.204 -178.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.83 -35.06 74.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.823 -1.173 . . . . 0.0 109.221 -179.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.4 m -59.95 -40.02 87.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.044 0.926 . . . . 0.0 108.827 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.37 -38.93 69.48 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.85 78.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.049 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' B' ' 88' ' ' PHE . 10.8 t -59.3 -35.52 73.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.579 -0.7 . . . . 0.0 109.338 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.99 -40.1 87.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.795 -1.19 . . . . 0.0 108.996 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.56 -40.04 95.57 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.181 -0.95 . . . . 0.0 109.401 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -84.01 -39.49 19.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.133 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' B' ' 84' ' ' CYS . 3.0 t80 -89.87 70.2 7.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.715 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -79.64 98.48 6.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.067 -1.02 . . . . 0.0 108.462 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.13 -39.95 88.06 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.222 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 0.0 . 179.791 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -131.76 110.41 10.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.514 -0.741 . . . . 0.0 109.514 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.75 141.46 34.58 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -99.67 90.86 4.62 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.232 -0.917 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -150.73 32.21 0.63 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.927 . . . . 0.0 109.013 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.81 149.83 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.751 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -75.1 165.43 25.24 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.456 -0.778 . . . . 0.0 109.41 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.3 151.53 22.54 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -142.57 169.97 16.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.34 -1.094 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.51 ' O ' ' N ' ' X' ' 103' ' ' SER . 60.6 m -49.93 -28.7 7.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.564 -179.812 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.417 ' C ' ' O ' ' X' ' 101' ' ' SER . 14.6 t -40.79 -24.45 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.52 -0.738 . . . . 0.0 109.757 179.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.51 ' N ' ' O ' ' X' ' 101' ' ' SER . 67.4 m -45.36 -24.49 0.3 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.368 -0.833 . . . . 0.0 108.855 178.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.419 ' O ' ' OE2' ' A' ' 45' ' ' GLU . 57.2 mtt-85 -53.3 -35.44 60.12 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 6.0 p80 -58.53 -37.18 75.1 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.885 -1.134 . . . . 0.0 108.369 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.62 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 81.5 tttt -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.094 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 44.4 tp -65.36 -32.61 74.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.684 -0.635 . . . . 0.0 110.203 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -60.05 -24.58 64.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.049 -1.032 . . . . 0.0 110.849 -178.561 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.3 OUTLIER -49.65 -35.66 22.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.541 -1.349 . . . . 0.0 109.176 -178.826 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -78.59 -35.73 45.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.032 -1.042 . . . . 0.0 109.911 178.666 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 55.6 p -58.23 -34.33 70.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.006 -1.059 . . . . 0.0 108.632 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 58.4 mm-40 . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.386 -0.822 . . . . 0.0 . 179.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -131.72 110.53 10.95 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.461 -0.774 . . . . 0.0 109.595 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.86 141.36 34.82 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . 0.404 ' C ' ' HG ' ' Y' ' 96' ' ' SER . 16.2 pttp -99.62 90.45 4.49 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.363 -0.836 . . . . 0.0 109.828 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' Y' ' 95' ' ' LYS . 40.9 m -150.4 32.45 0.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 108.967 179.34 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.94 149.67 47.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.318 -0.864 . . . . 0.0 109.868 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -74.87 165.23 25.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.45 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.45 151.29 23.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.2 170.07 16.4 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.341 -1.094 . . . . 0.0 109.633 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.499 ' O ' ' N ' ' Y' ' 103' ' ' SER . 56.8 m -50.02 -28.2 6.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 0.0 109.505 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.429 ' C ' ' O ' ' Y' ' 101' ' ' SER . 14.5 t -41.05 -24.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.552 -0.718 . . . . 0.0 109.629 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.499 ' N ' ' O ' ' Y' ' 101' ' ' SER . 74.2 m -45.11 -24.6 0.26 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' Y' ' 102' ' ' THR . 57.0 mtt-85 -53.52 -35.52 60.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 109.067 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.621 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 6.4 p80 -58.35 -36.89 74.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.825 -1.172 . . . . 0.0 108.487 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.621 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 83.0 tttt -60.03 -28.74 68.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.97 -40.0 83.44 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 179.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.75 -32.16 73.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.735 -0.603 . . . . 0.0 110.197 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -59.97 -24.62 64.56 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.035 -1.041 . . . . 0.0 110.779 -178.787 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -49.86 -35.21 22.43 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.476 -1.39 . . . . 0.0 109.418 -178.646 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.52 -34.29 41.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.869 178.888 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 45.3 p -59.96 -33.25 71.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.993 -1.067 . . . . 0.0 108.482 -179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 58.0 mm-40 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.447 -0.783 . . . . 0.0 . 178.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.219 0.533 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m 55.76 39.94 30.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -72.76 -13.44 61.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.565 -0.71 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -43.27 -21.45 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.27 -0.894 . . . . 0.0 110.444 -178.369 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' GLU . 87.7 tt0 -70.07 -40.16 75.2 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.458 179.183 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 2' ' ' GLU . 28.5 ttpt -79.35 -46.52 17.48 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.876 -0.515 . . . . 0.0 110.697 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -48.51 73.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.361 -0.837 . . . . 0.0 111.41 -178.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.3 mtt -60.05 -40.02 88.0 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 -178.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.21 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.67 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.61 76.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 111.525 -178.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.92 -39.94 87.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.463 -1.398 . . . . 0.0 107.671 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.65 -40.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.814 -0.554 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.73 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.753 -1.217 . . . . 0.0 111.609 -178.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.59 -33.51 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.804 -1.185 . . . . 0.0 110.275 -178.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' A' ' 18' ' ' SER . 65.0 t80 -59.86 -40.03 87.24 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.49 -1.381 . . . . 0.0 108.882 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -76.73 -22.16 54.25 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -54.6 -44.43 73.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.269 -0.894 . . . . 0.0 110.765 -178.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -118.31 -24.5 6.88 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 121.108 -0.995 . . . . 0.0 111.344 -179.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 48.3 m -60.09 -40.2 88.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.614 -1.304 . . . . 0.0 109.39 -179.574 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 2.8 63.31 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 70.2 ttt180 -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.161 -1.199 . . . . 0.0 108.41 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 99.5 mt-10 -114.13 163.17 15.56 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.425 0.631 . . . . 0.0 109.381 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.41 -19.22 0.03 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 69.4 m-20 -77.94 85.05 4.2 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.773 -1.428 . . . . 0.0 109.853 -179.216 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -94.35 -42.45 8.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.405 -0.809 . . . . 0.0 110.284 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -92.89 0.12 57.34 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.146 -0.971 . . . . 0.0 110.246 -178.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -139.96 157.02 46.35 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -122.91 117.77 26.34 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.418 -0.801 . . . . 0.0 109.766 -178.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.4 mtmp? -90.46 149.81 22.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.675 -1.266 . . . . 0.0 108.449 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -44.37 -21.74 0.05 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.612 ' HG ' ' H ' ' A' ' 31' ' ' GLU . 85.7 p -70.61 -49.49 47.09 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.778 -179.437 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.612 ' H ' ' HG ' ' A' ' 30' ' ' SER . 95.3 mt-10 -68.64 -33.48 74.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.974 -1.079 . . . . 0.0 108.858 179.211 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.96 -40.98 90.89 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HZ1' ' CB ' ' A' ' 37' ' ' ASN . 24.5 tptp -62.41 -39.98 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.592 -0.693 . . . . 0.0 109.622 178.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 77.2 mm-40 -60.58 -39.99 90.06 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 110.294 -179.027 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.02 -44.37 69.43 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.707 -1.246 . . . . 0.0 109.065 179.675 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.8 mt -70.03 -41.24 79.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.174 -0.954 . . . . 0.0 112.461 -177.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 17.3 t-20 -84.08 -32.87 24.55 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.343 -1.473 . . . . 0.0 111.771 -178.193 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.01 -36.72 8.91 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.339 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.64 -17.76 33.02 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.319 -1.488 . . . . 0.0 110.537 -177.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.05 58.86 0.65 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.358 -0.838 . . . . 0.0 109.092 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -60.0 -40.09 88.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.215 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -141.47 -9.99 0.95 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.042 -1.036 . . . . 0.0 110.307 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.88 -30.02 67.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.99 -1.069 . . . . 0.0 109.932 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.8 165.39 27.61 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -66.07 119.0 10.64 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.312 -1.355 . . . . 0.0 109.497 -179.542 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.8 153.07 44.3 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 110.039 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.6 mt -102.63 129.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -106.81 -20.08 13.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.722 . . . . 0.0 110.042 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -119.59 138.58 53.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.336 -0.853 . . . . 0.0 108.968 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.15 -22.31 66.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.459 -0.776 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.97 -38.07 81.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.177 -0.952 . . . . 0.0 109.957 -178.813 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.06 -39.69 81.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.77 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 120.426 -0.509 . . . . 0.0 109.852 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.37 -39.01 93.04 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.211 1.005 . . . . 0.0 109.194 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.95 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.53 -32.82 73.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.216 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.21 -39.97 80.4 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.176 -1.577 . . . . 0.0 107.128 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -77.41 -46.61 22.15 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.818 -0.551 . . . . 0.0 111.326 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -89.31 -15.55 33.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.94 -1.1 . . . . 0.0 111.705 -177.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.0 t0 -81.92 59.52 4.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.144 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.15 -37.08 76.43 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 69.1 m-20 -77.01 -10.03 59.09 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.33 29.91 70.0 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -107.25 8.68 30.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.368 -1.078 . . . . 0.0 110.124 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.2 18.98 77.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -150.43 125.89 10.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.92 130.32 45.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.03 -1.044 . . . . 0.0 108.481 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.83 159.91 33.73 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.571 -0.706 . . . . 0.0 109.664 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 2.3 t80 -46.5 -39.9 11.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.427 -0.795 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -67.92 -39.98 83.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 110.34 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 45.2 mt-10 -63.06 -42.11 99.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.7 -1.25 . . . . 0.0 110.381 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.6 -36.35 82.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.269 -0.894 . . . . 0.0 109.112 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 75.6 mmm -60.0 -38.95 84.12 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.584 -178.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.51 69.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.772 -1.205 . . . . 0.0 111.383 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.408 ' CZ ' ' CG2' ' A' ' 80' ' ' VAL . 42.3 t80 -69.98 -20.25 63.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.596 -1.315 . . . . 0.0 109.57 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.02 -36.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.29 -0.881 . . . . 0.0 109.153 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.48 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 4.2 m -62.37 -45.14 94.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.0 110.298 -179.515 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.4 ptm -70.62 -39.99 73.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 111.46 -178.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.408 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 80.0 t -60.01 -40.02 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.736 -1.228 . . . . 0.0 109.397 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -39.8 86.67 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -49.75 -34.5 19.3 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.25 87.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 88' ' ' PHE . 63.5 m -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.471 -0.768 . . . . 0.0 109.162 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -59.95 -40.09 87.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.372 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 85.9 tt0 -60.09 -40.02 88.13 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 0.0 109.008 178.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -86.05 -25.2 26.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 109.655 -179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.4 t80 -93.49 63.34 3.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.144 -0.973 . . . . 0.0 108.525 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 1.5 mp0 -58.36 113.93 2.19 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.045 -1.035 . . . . 0.0 108.445 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.0 . -179.795 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.56 39.84 31.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.209 -0.932 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.8 mt-10 -72.88 -13.07 61.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.465 -0.772 . . . . 0.0 110.471 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 2' ' ' GLU . 80.0 mt -43.45 -21.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.899 . . . . 0.0 110.391 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' B' ' 2' ' ' GLU . 87.6 tt0 -69.97 -39.95 75.69 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.442 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 2' ' ' GLU . 29.1 ttpt -79.33 -46.91 16.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.866 -0.521 . . . . 0.0 110.765 -179.499 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.71 -48.54 74.26 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 111.418 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.4 mtt -59.98 -40.04 87.79 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.276 -0.89 . . . . 0.0 109.814 -178.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.17 -39.17 84.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 O-C-N 121.399 -0.813 . . . . 0.0 109.68 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.89 77.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.503 -0.748 . . . . 0.0 111.618 -178.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.9 -39.96 87.15 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.517 -1.365 . . . . 0.0 107.582 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.75 -40.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.788 -0.57 . . . . 0.0 110.696 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 61.3 t0 -61.61 -43.33 99.06 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.869 -1.144 . . . . 0.0 111.576 -178.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.71 -33.68 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.83 -1.169 . . . . 0.0 110.236 -178.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' B' ' 18' ' ' SER . 65.2 t80 -59.86 -39.98 87.05 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.442 -1.411 . . . . 0.0 108.956 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -76.49 -22.21 54.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.214 -0.929 . . . . 0.0 110.35 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -54.79 -44.01 73.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.756 -177.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -118.58 -24.38 6.78 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.14 -0.975 . . . . 0.0 111.302 -179.206 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 50.1 m -60.18 -40.47 90.1 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.651 -1.281 . . . . 0.0 109.412 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 2.71 62.32 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 70.2 ttt180 -60.02 -42.88 95.32 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.147 -1.208 . . . . 0.0 108.446 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.8 mt-10 -114.19 163.11 15.67 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.461 0.648 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.06 -19.61 0.03 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' B' ' 21' ' ' GLU . 69.5 m-20 -77.64 85.17 3.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.765 -1.432 . . . . 0.0 109.857 -179.217 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -94.33 -42.55 8.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.434 -0.791 . . . . 0.0 110.257 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -92.72 0.02 57.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.264 -0.897 . . . . 0.0 110.361 -178.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -139.86 157.1 46.26 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -122.18 117.54 26.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 -178.177 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 30' ' ' SER . 6.6 mtmp? -90.47 150.0 21.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.642 -1.286 . . . . 0.0 108.358 178.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 28' ' ' LYS . 61.9 pttt -44.51 -21.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.202 -0.937 . . . . 0.0 108.851 178.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 28' ' ' LYS . 81.6 p -70.5 -49.29 49.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.847 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.91 -33.17 73.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.017 -1.052 . . . . 0.0 108.848 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.1 -41.06 91.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.34 -40.06 95.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.588 -0.695 . . . . 0.0 109.562 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 77.3 mm-40 -60.53 -39.97 89.81 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.06 -1.025 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -44.4 69.23 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.632 -1.292 . . . . 0.0 109.148 179.596 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.8 mt -70.01 -41.41 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.377 -177.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.73 -33.19 25.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.487 -1.383 . . . . 0.0 111.838 -178.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.99 -36.85 8.87 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -177.173 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -86.45 -17.79 33.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.335 -1.478 . . . . 0.0 110.579 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 33.5 mt -113.13 58.86 0.65 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.391 -0.818 . . . . 0.0 108.92 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -40.14 87.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -141.41 -9.72 0.96 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.02 -30.07 67.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.031 -1.043 . . . . 0.0 109.954 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.75 165.66 26.86 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.453 ' O ' ' OE2' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -66.36 119.16 11.1 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.269 -1.372 . . . . 0.0 109.478 -179.521 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.97 153.03 44.63 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 109.985 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.6 mt -102.51 129.99 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.135 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.92 -20.31 13.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.464 -0.772 . . . . 0.0 110.011 -178.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -119.39 138.68 52.93 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.341 -0.849 . . . . 0.0 108.96 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -65.16 -22.25 66.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.472 -0.768 . . . . 0.0 110.56 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -59.99 -38.25 82.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.091 -1.006 . . . . 0.0 110.009 -178.79 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.98 -39.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.15 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.806 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.36 -39.06 93.13 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.191 0.996 . . . . 0.0 109.262 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.17 -40.03 86.54 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.98 -28.82 44.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.99 -32.5 72.11 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.265 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.46 -40.01 81.5 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.135 -1.603 . . . . 0.0 107.023 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -77.26 -46.54 22.8 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.744 -0.597 . . . . 0.0 111.394 179.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 mt -89.3 -15.51 33.31 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.781 -1.2 . . . . 0.0 111.685 -178.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.1 t0 -81.95 59.76 4.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.1 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -59.44 -36.89 76.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.1 m-20 -77.23 -9.7 58.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.408 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.86 30.01 68.74 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -107.25 8.85 30.13 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.443 -1.034 . . . . 0.0 110.06 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.76 19.19 76.53 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -150.24 125.69 10.19 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.8 130.32 45.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.962 -1.086 . . . . 0.0 108.513 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.83 160.01 33.54 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.5 -0.75 . . . . 0.0 109.687 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 2.2 t80 -46.57 -39.77 11.63 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.217 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -68.11 -39.91 82.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 43.7 mt-10 -63.04 -42.23 99.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.872 -1.143 . . . . 0.0 110.344 -179.359 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -66.7 -36.27 82.11 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 109.118 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.3 mmm -59.95 -38.99 84.08 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.299 0.571 . . . . 0.0 110.596 -178.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.57 70.06 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.701 -1.249 . . . . 0.0 111.324 -178.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.409 ' CZ ' ' CG2' ' B' ' 80' ' ' VAL . 42.1 t80 -69.91 -20.34 63.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.628 -1.295 . . . . 0.0 109.667 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.87 -36.9 40.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.313 -0.867 . . . . 0.0 109.113 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.48 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 4.2 m -62.14 -45.26 94.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.0 110.247 -179.386 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptm -70.54 -40.02 73.69 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 111.469 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.409 ' CG2' ' CZ ' ' B' ' 76' ' ' PHE . 74.2 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.748 -1.22 . . . . 0.0 109.414 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.91 -39.98 87.29 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.7 m -49.75 -34.34 18.81 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.08 87.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 108.599 178.195 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' B' ' 88' ' ' PHE . 64.3 m -59.99 -34.28 73.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.437 -0.79 . . . . 0.0 109.242 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.984 -1.072 . . . . 0.0 108.353 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.424 ' O ' ' OE1' ' B' ' 89' ' ' GLU . 86.6 tt0 -60.09 -40.09 88.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 108.926 178.668 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -86.11 -25.0 26.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -0.796 . . . . 0.0 109.738 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.4 t80 -93.63 63.27 3.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.164 -0.96 . . . . 0.0 108.586 179.762 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' B' ' 89' ' ' GLU . 1.5 mp0 -58.44 114.05 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.098 -1.001 . . . . 0.0 108.493 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -60.01 -40.05 87.89 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.4 -0.812 . . . . 0.0 . -179.67 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -60.1 -39.98 88.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 0.0 109.783 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' X' ' 94' ' ' LEU . 3.4 mm? -77.7 153.25 33.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 0.0 109.153 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -99.19 121.25 40.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.25 -0.906 . . . . 0.0 109.76 -179.233 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -139.71 -13.99 1.09 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -105.93 127.91 53.45 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.253 -0.904 . . . . 0.0 109.873 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.14 0.06 55.58 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.758 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' X' ' 100' ' ' GLN . . . 81.21 11.35 83.63 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' X' ' 99' ' ' GLY . 78.1 mt-30 53.19 171.52 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.537 -0.978 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 56.3 m -67.55 -24.97 65.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 41.7 m -50.3 -30.41 11.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 109.668 -179.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 19.2 t -60.01 -40.06 87.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.116 -0.99 . . . . 0.0 108.601 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.514 ' CD ' ' N ' ' X' ' 104' ' ' ARG . 0.5 OUTLIER -62.25 -40.38 95.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 109.285 179.673 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.51 ' O ' ' SD ' ' X' ' 109' ' ' MET . 86.2 t60 -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.487 -0.758 . . . . 0.0 109.521 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -59.96 -37.41 79.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.392 -0.818 . . . . 0.0 109.883 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.415 ' HZ1' ' CB ' ' X' ' 107' ' ' LYS . 7.3 mtmp? -59.39 -39.95 85.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.495 -179.005 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.508 ' CD1' ' NZ ' ' X' ' 111' ' ' LYS . 19.2 tp -69.12 -38.67 79.01 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.186 -0.946 . . . . 0.0 110.032 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -49.2 -24.53 1.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 109.729 -179.304 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.563 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -42.24 -46.28 4.42 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.244 -0.91 . . . . 0.0 110.303 -179.077 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.563 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -74.05 -34.43 64.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.018 -1.052 . . . . 0.0 109.93 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' X' ' 109' ' ' MET . 42.0 p -60.86 -38.92 87.25 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.794 -1.191 . . . . 0.0 108.06 179.611 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.587 -0.696 . . . . 0.0 . 179.362 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.233 0.539 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' Y' ' 94' ' ' LEU . 2.9 mm? -78.03 153.48 32.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.066 -1.021 . . . . 0.0 109.049 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -98.99 121.16 40.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.343 -0.848 . . . . 0.0 109.858 -179.16 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 39.1 m -139.71 -14.05 1.09 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.386 -0.822 . . . . 0.0 109.944 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -105.84 128.12 53.54 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 109.851 -179.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.42 0.04 55.14 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' Y' ' 100' ' ' GLN . . . 81.58 11.08 83.54 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.471 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' Y' ' 99' ' ' GLY . 77.3 mt-30 53.35 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.431 -1.04 . . . . 0.0 110.058 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -67.36 -25.02 65.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.336 -0.852 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 45.4 m -50.3 -30.5 12.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.642 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 20.1 t -59.97 -40.09 87.92 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.075 -1.015 . . . . 0.0 108.544 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' Y' ' 104' ' ' ARG . 0.5 OUTLIER -62.24 -40.34 95.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.276 179.654 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 86.2 t60 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.482 -0.761 . . . . 0.0 109.461 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -59.98 -37.27 79.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -59.69 -39.96 86.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.021 -1.049 . . . . 0.0 109.524 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.518 ' CD1' ' NZ ' ' Y' ' 111' ' ' LYS . 19.6 tp -69.15 -38.56 78.84 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -49.13 -24.53 1.69 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.941 -1.1 . . . . 0.0 109.734 -179.431 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -42.32 -45.88 4.39 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.28 -0.888 . . . . 0.0 110.387 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.561 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.6 OUTLIER -74.18 -35.41 63.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 44.8 p -60.01 -38.54 82.95 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.173 179.713 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 O-C-N 121.544 -0.723 . . . . 0.0 . 179.41 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.426 ' H2 ' ' HG2' ' A' ' 2' ' ' GLU . 62.7 mtt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 61.14 7.19 1.51 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.309 -0.87 . . . . 0.0 109.015 -179.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' HG2' ' H2 ' ' A' ' 0' ' ' MET . 18.9 pt-20 -76.39 13.9 0.86 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 1' ' ' SER . 2.9 tm? -59.78 -40.15 87.32 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.477 -0.765 . . . . 0.0 109.466 -178.577 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.94 -38.63 82.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.894 -1.129 . . . . 0.0 110.26 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.99 -36.22 75.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.072 -1.018 . . . . 0.0 109.862 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -39.98 84.32 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.495 -0.753 . . . . 0.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.8 mtt -68.97 -39.88 79.17 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 108.938 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.3 -37.18 79.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.022 -179.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.56 69.31 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.237 -0.914 . . . . 0.0 110.211 -178.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -40.54 88.79 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 11' ' ' ILE . 81.5 mt -69.97 -40.01 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.741 -0.6 . . . . 0.0 110.961 179.425 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.01 -42.28 93.97 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.817 -1.177 . . . . 0.0 112.388 -177.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -39.04 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.679 -1.263 . . . . 0.0 110.381 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 68.8 t80 -57.89 -39.97 79.15 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.728 -1.232 . . . . 0.0 109.254 -179.06 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.95 -27.59 69.24 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.11 -0.994 . . . . 0.0 109.643 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -40.14 88.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.082 -1.012 . . . . 0.0 111.132 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -95.86 -31.02 13.35 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.809 -1.182 . . . . 0.0 112.348 -178.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.567 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 54.0 m -60.08 -40.02 88.11 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.458 -1.401 . . . . 0.0 109.898 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.24 0.18 80.83 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -59.95 -46.39 89.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.084 -1.245 . . . . 0.0 109.347 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -114.6 164.19 14.37 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.19 -16.19 1.31 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -80.73 64.52 5.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.617 -1.52 . . . . 0.0 109.495 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.0 -38.96 76.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.879 . . . . 0.0 110.624 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -77.62 -19.03 56.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.064 -1.023 . . . . 0.0 111.368 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 17.9 pttp -138.31 157.51 46.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.996 -1.065 . . . . 0.0 109.435 -179.607 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.82 122.66 48.3 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.54 -0.725 . . . . 0.0 109.097 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' SER . 37.8 pttt -98.11 155.65 17.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.722 -1.236 . . . . 0.0 109.519 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -43.9 -24.51 0.14 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 109.838 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LYS . 17.2 t -73.31 -51.5 17.32 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.491 -179.594 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.82 -36.78 85.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.0 -40.48 89.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.66 -0.65 . . . . 0.0 109.784 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.99 -40.01 91.82 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.173 -0.954 . . . . 0.0 110.207 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -66.71 -37.43 84.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.208 -0.932 . . . . 0.0 109.519 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.2 tt -66.16 -48.86 69.35 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.076 -1.015 . . . . 0.0 109.683 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -69.12 -45.34 79.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.12 -0.987 . . . . 0.0 111.052 -178.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -70.88 -41.07 71.83 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.08 . . . . 0.0 112.151 -177.643 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.06 -31.79 11.6 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 21.4 tt0 -79.34 -9.96 59.7 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.122 -1.611 . . . . 0.0 109.225 -178.079 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.35 52.18 0.85 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.633 -0.667 . . . . 0.0 109.263 179.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 43' ' ' PHE . 66.9 m -61.3 109.76 1.23 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.129 -0.982 . . . . 0.0 110.297 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 56.22 -11.73 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.71 -0.619 . . . . 0.0 111.631 179.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.595 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.3 t80 -69.88 -39.71 76.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.59 -1.319 . . . . 0.0 109.078 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.17 160.66 37.14 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' NE ' ' X' ' 104' ' ' ARG . 85.9 tt0 -58.49 112.72 1.69 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.883 -1.136 . . . . 0.0 109.248 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.37 164.12 11.9 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.868 0.842 . . . . 0.0 110.064 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.49 135.97 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.387 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -107.46 -25.02 11.59 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.281 -0.887 . . . . 0.0 109.614 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -123.77 143.66 50.17 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.402 -0.811 . . . . 0.0 110.276 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.669 HE21 ' N ' ' A' ' 51' ' ' GLU . 1.3 pm0 -69.11 -18.23 63.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.669 ' N ' HE21 ' A' ' 50' ' ' GLN . 15.7 pt-20 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 109.569 -179.781 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.9 t -60.02 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.759 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.49 -40.06 87.62 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.186 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.98 -39.6 95.23 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.242 -0.911 . . . . 0.0 109.908 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -64.89 -39.99 94.41 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.7 -31.22 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 84.0 mmm -70.0 -30.34 67.64 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.871 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.92 -40.03 87.47 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.439 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -77.09 -42.65 37.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.862 -0.524 . . . . 0.0 111.468 178.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.52 -22.0 30.34 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.949 -1.094 . . . . 0.0 109.884 -178.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.5 t0 -81.73 63.34 5.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.875 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.6 -39.05 79.33 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -78.61 -11.3 59.96 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.464 -0.772 . . . . 0.0 109.21 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.8 42.72 92.87 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.09 -0.87 26.26 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.241 -1.152 . . . . 0.0 110.051 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.98 1.13 87.17 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 21.1 pt-20 -146.16 149.88 34.83 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.51 51.66 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -75.21 167.96 20.9 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 p90 -57.52 -38.12 74.16 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 117.966 -1.493 . . . . 0.0 109.056 -178.481 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -61.65 -40.03 93.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 109.938 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.31 -40.25 95.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.471 -1.393 . . . . 0.0 108.857 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.9 -33.69 76.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.535 -0.728 . . . . 0.0 109.694 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 87.2 mmm -60.09 -37.48 80.07 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.313 0.578 . . . . 0.0 110.35 -178.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.53 75.1 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.262 -178.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -70.02 -34.05 72.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 0.0 110.72 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -39.92 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 O-C-N 121.256 -0.902 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -64.28 -39.96 95.0 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.552 -0.718 . . . . 0.0 110.055 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.57 -41.65 75.56 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.603 -178.358 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.94 -37.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 120.657 -1.277 . . . . 0.0 108.653 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -60.05 -39.94 87.72 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.1 m -55.34 -38.77 69.2 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.78 90.73 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.528 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.0 m -60.02 -37.6 80.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.265 -0.897 . . . . 0.0 109.904 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -58.6 -38.74 78.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.912 -1.117 . . . . 0.0 108.129 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.93 -38.3 81.98 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -83.56 -39.0 20.94 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -94.08 74.09 4.07 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -80.79 102.6 10.08 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -69.98 -10.15 57.61 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.357 -0.84 . . . . 0.0 . -179.794 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.443 ' C ' ' H ' ' B' ' 2' ' ' GLU . 65.1 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.464 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.8 m 60.96 7.14 1.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 108.916 -179.464 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' B' ' 0' ' ' MET . 19.1 pt-20 -76.25 14.0 0.82 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' B' ' 1' ' ' SER . 2.9 tm? -59.92 -39.99 87.33 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.421 -0.8 . . . . 0.0 109.351 -178.422 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.1 -38.69 83.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.853 -1.154 . . . . 0.0 110.223 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.8 -36.36 75.61 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.875 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -39.93 84.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.55 -0.719 . . . . 0.0 111.497 -178.156 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 mtt -68.99 -39.94 79.05 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 108.959 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.3 -36.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.17 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.38 -34.03 67.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.99 . . . . 0.0 110.146 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -40.57 89.42 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -70.0 -40.04 78.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.75 -0.594 . . . . 0.0 110.892 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.17 -42.11 94.28 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.147 . . . . 0.0 112.279 -177.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -38.97 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.75 -1.219 . . . . 0.0 110.355 -178.688 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.567 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 72.2 t80 -58.03 -39.91 79.55 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.732 -1.23 . . . . 0.0 109.276 -179.164 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.81 -27.95 69.53 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.17 -0.956 . . . . 0.0 109.598 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.07 -40.08 88.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.028 -1.045 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -95.61 -31.12 13.43 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.701 -1.249 . . . . 0.0 112.391 -178.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.567 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 54.1 m -59.99 -40.08 87.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.393 -1.442 . . . . 0.0 109.897 -179.018 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.79 0.02 79.23 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -60.03 -46.19 90.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.066 -1.255 . . . . 0.0 109.468 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -114.96 164.02 14.74 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.83 -16.27 1.14 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.221 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.78 64.68 5.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.632 -1.51 . . . . 0.0 109.533 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -69.93 -39.48 76.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.826 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -77.49 -18.89 56.68 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.142 -0.974 . . . . 0.0 111.392 -177.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.547 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 17.7 pttp -138.55 157.63 45.79 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.952 -1.093 . . . . 0.0 109.449 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.88 122.75 48.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.581 -0.699 . . . . 0.0 109.16 -178.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.5 pttt -98.11 155.67 17.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.786 -1.196 . . . . 0.0 109.597 179.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.87 -24.51 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.503 -0.748 . . . . 0.0 109.873 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 28' ' ' LYS . 21.9 t -73.63 -51.18 17.66 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.447 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -63.94 -37.03 85.91 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.115 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.72 -40.58 88.5 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.715 -0.616 . . . . 0.0 109.718 -179.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.8 -40.05 91.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.71 -37.58 84.99 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.118 -0.988 . . . . 0.0 109.482 -178.492 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.6 tt -65.69 -49.32 68.95 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.221 -0.924 . . . . 0.0 109.606 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.13 -45.56 79.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 121.171 -0.956 . . . . 0.0 111.051 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -70.62 -40.89 72.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -99.08 -31.97 11.5 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 21.2 tt0 -79.36 -9.96 59.71 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.15 -1.594 . . . . 0.0 109.249 -178.068 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -114.26 52.33 0.84 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.6 ' C ' ' H ' ' B' ' 43' ' ' PHE . 75.1 m -61.27 109.21 1.07 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.185 -0.947 . . . . 0.0 110.292 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 56.15 -11.34 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.715 -0.616 . . . . 0.0 111.588 179.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.6 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.5 t80 -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.536 -1.352 . . . . 0.0 109.013 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -133.91 160.77 36.68 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.516 ' OE2' ' NE ' ' Y' ' 104' ' ' ARG . 84.1 tt0 -58.67 112.58 1.67 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.879 -1.138 . . . . 0.0 109.395 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.1 163.87 11.7 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.859 0.838 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -96.24 136.23 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -108.1 -24.58 11.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.258 -0.901 . . . . 0.0 109.585 -179.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -123.77 143.43 50.31 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.457 -0.777 . . . . 0.0 110.266 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.674 HE21 ' N ' ' B' ' 51' ' ' GLU . 1.2 pm0 -69.15 -17.99 63.89 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.832 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.674 ' N ' HE21 ' B' ' 50' ' ' GLN . 15.5 pt-20 -60.93 -39.95 91.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.176 -0.952 . . . . 0.0 109.517 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 98.4 t -59.98 -40.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.57 -40.01 87.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.201 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.74 -39.85 95.38 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.83 -40.06 94.57 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.9 t -66.34 -31.56 54.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.572 ' O ' ' N ' ' B' ' 61' ' ' ASP . 84.2 mmm -70.0 -30.35 67.65 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.81 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -39.73 86.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 178.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -77.27 -42.77 35.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.752 -0.592 . . . . 0.0 111.306 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.28 -21.89 30.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.914 -1.116 . . . . 0.0 110.075 -178.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.8 t0 -81.87 63.29 6.05 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -58.55 -39.09 79.25 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.81 -11.08 59.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.433 -0.792 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.85 42.65 92.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -104.9 -0.96 26.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.2 -1.176 . . . . 0.0 110.121 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.01 1.11 87.22 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 -178.31 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.547 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 21.3 pt-20 -146.07 149.96 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.43 51.77 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.4 t0 -75.55 166.79 23.03 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.1 p90 -56.01 -38.78 70.96 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.947 -1.501 . . . . 0.0 109.32 -178.512 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.702 -1.249 . . . . 0.0 110.014 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.6 -40.01 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.372 -1.455 . . . . 0.0 108.812 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -64.88 -33.95 77.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.6 -0.688 . . . . 0.0 109.515 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 87.3 mmm -59.85 -38.03 80.96 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.42 0.628 . . . . 0.0 110.514 -178.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.46 75.4 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.288 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -70.0 -34.33 73.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 110.585 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -39.98 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -64.33 -40.0 95.02 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.558 -0.714 . . . . 0.0 110.159 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -69.53 -41.84 75.45 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.356 -178.151 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.75 -37.71 80.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 120.68 -1.262 . . . . 0.0 108.66 -179.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 64.9 m -60.0 -39.75 86.86 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.5 m -55.73 -38.77 70.2 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.17 90.71 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.17 -37.46 80.23 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.383 -0.823 . . . . 0.0 109.987 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -58.63 -38.8 78.86 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.929 -1.107 . . . . 0.0 108.052 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.01 -37.93 81.16 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.024 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.58 -39.34 20.48 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -93.97 74.23 4.14 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.78 102.75 10.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -70.04 -10.19 57.85 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.383 -0.823 . . . . 0.0 . -179.857 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . 0.61 ' HD1' ' H ' ' X' ' 93' ' ' HIS . 21.3 p-80 -83.8 170.21 14.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 109.711 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 59.3 tp -93.29 137.94 32.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.279 -0.888 . . . . 0.0 108.83 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -117.08 132.39 56.69 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.48 -0.763 . . . . 0.0 110.527 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 71.6 m -132.31 144.07 50.31 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -94.51 76.85 3.83 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.95 -1.094 . . . . 0.0 109.701 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -70.0 -30.9 68.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -0.813 . . . . 0.0 109.695 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.25 43.44 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -84.93 149.67 25.48 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.199 -1.177 . . . . 0.0 109.392 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -65.26 -25.24 67.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 0.0 109.682 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.582 ' HG1' ' HD1' ' X' ' 105' ' ' HIS . 9.2 t -50.04 -28.03 6.43 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 108.888 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -48.47 -24.83 1.4 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.211 -0.93 . . . . 0.0 108.909 179.13 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.545 ' NE ' ' OE2' ' A' ' 45' ' ' GLU . 5.2 ptm180 -54.54 -35.51 63.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.32 -0.862 . . . . 0.0 109.425 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 7.4 p-80 -59.8 -39.21 84.19 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.947 -1.096 . . . . 0.0 108.225 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 46.2 tptt -59.7 -30.6 68.91 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 61.5 tttm -58.28 -40.13 81.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.0 -179.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.41 -24.39 39.69 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.39 -0.819 . . . . 0.0 109.926 178.52 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.47 ' O ' ' OG1' ' X' ' 112' ' ' THR . 33.3 mmt -57.91 -24.83 59.48 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.648 -1.282 . . . . 0.0 110.55 -178.6 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.437 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -53.77 -28.18 33.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.13 -1.606 . . . . 0.0 108.792 -179.505 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.437 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 2.0 mmpt? -69.94 -39.98 75.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.861 -1.15 . . . . 0.0 108.437 176.294 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' X' ' 109' ' ' MET . 80.7 p -60.13 -36.04 76.62 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.138 -179.709 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.81 . . . . 0.0 . 179.759 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.591 ' HD1' ' H ' ' Y' ' 93' ' ' HIS . 22.2 p-80 -84.0 170.43 13.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.426 -0.796 . . . . 0.0 109.524 179.789 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.8 tp -93.64 137.76 32.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.312 -0.867 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -116.95 132.45 56.7 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.535 -0.728 . . . . 0.0 110.577 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 73.1 m -132.3 144.32 50.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -94.75 76.68 3.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.007 -1.058 . . . . 0.0 109.793 -179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -70.01 -30.6 67.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.399 -0.813 . . . . 0.0 109.646 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.04 173.31 43.36 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -85.04 149.55 25.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.199 -1.177 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 89.2 p -65.11 -24.98 67.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.564 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 7.9 t -50.03 -28.13 6.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 108.875 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 29.4 t -48.49 -24.81 1.41 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 108.953 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.516 ' NE ' ' OE2' ' B' ' 45' ' ' GLU . 5.2 ptm180 -54.53 -35.4 63.15 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 0.0 109.473 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.608 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.4 p-80 -59.97 -38.99 84.11 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.608 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.1 tptt -59.86 -30.84 69.25 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.616 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.4 tttm -58.03 -40.25 80.37 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.06 -1.025 . . . . 0.0 109.061 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.49 -24.65 39.3 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.415 -0.803 . . . . 0.0 109.973 178.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.479 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 34.0 mmt -57.75 -24.67 58.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.683 -1.261 . . . . 0.0 110.363 -178.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.446 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -53.98 -28.01 35.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.021 -1.674 . . . . 0.0 108.618 -179.445 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 2.3 mmpt? -69.99 -39.95 75.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.911 -1.118 . . . . 0.0 108.52 176.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 82.4 p -60.01 -35.76 75.76 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.196 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . 0.413 ' N ' ' HG1' ' Y' ' 112' ' ' THR . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 . 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.82 27.81 17.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.31 -0.869 . . . . 0.0 109.563 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLU . 45.5 mt-10 -74.7 -10.0 59.1 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.519 -0.738 . . . . 0.0 109.106 179.387 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -42.91 -24.66 0.07 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.501 -0.75 . . . . 0.0 110.523 -178.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' GLU . 18.6 pt-20 -72.03 -36.25 69.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.804 -1.185 . . . . 0.0 109.948 179.332 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -82.81 -30.75 28.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.982 -1.074 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.02 -40.04 72.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.076 . . . . 0.0 110.181 -179.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -66.87 -40.03 87.7 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.09 -38.65 83.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.156 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.91 75.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.182 -0.948 . . . . 0.0 110.679 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -39.99 81.79 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.234 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.88 -39.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.854 -0.529 . . . . 0.0 110.999 179.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.02 -46.16 90.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.759 -1.213 . . . . 0.0 111.946 -177.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -40.01 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.917 . . . . 0.0 111.301 -177.078 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.06 -39.94 87.75 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.295 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.57 ' HE2' ' CD2' ' B' ' 85' ' ' HIS . 66.1 m-70 -65.14 -27.94 69.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.316 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.05 -40.5 89.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.704 -1.247 . . . . 0.0 110.236 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.476 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 49.1 m-85 -92.01 -29.92 16.35 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.863 -1.148 . . . . 0.0 111.719 -179.264 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 p -60.06 -39.59 86.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.071 -1.018 . . . . 0.0 109.821 -179.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.98 -6.23 89.61 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 20' ' ' ARG . 32.4 ttt-85 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.087 -1.243 . . . . 0.0 109.726 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -91.75 -2.04 57.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.038 -1.039 . . . . 0.0 109.033 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.0 -9.99 75.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 26' ' ' LYS . 52.1 m-20 -83.16 69.1 9.83 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.148 -1.207 . . . . 0.0 108.563 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.82 -39.99 94.47 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -179.397 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -77.62 -24.27 49.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.127 -0.983 . . . . 0.0 111.812 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -139.19 157.72 45.43 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.812 -1.18 . . . . 0.0 109.435 -179.503 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.3 131.56 53.7 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.371 -0.831 . . . . 0.0 109.794 -178.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' SER . 65.2 tttm -100.47 146.46 27.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.028 -1.045 . . . . 0.0 109.618 -179.659 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -44.19 -23.92 0.13 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.427 -0.796 . . . . 0.0 109.698 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.8 m -74.57 -50.36 18.28 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.682 -0.807 . . . . 0.0 109.114 -179.628 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 55.8 tt0 -64.58 -36.14 83.28 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.03 -40.4 89.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.755 -0.591 . . . . 0.0 109.648 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' NZ ' HD21 ' A' ' 37' ' ' ASN . 58.4 tttm -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.302 -0.874 . . . . 0.0 110.008 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -61.29 -39.96 92.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.895 -1.128 . . . . 0.0 108.743 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.02 74.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.854 -1.154 . . . . 0.0 109.861 178.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.94 -43.49 79.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.498 -0.751 . . . . 0.0 112.677 -177.248 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.534 HD21 ' NZ ' ' A' ' 33' ' ' LYS . 99.0 m-20 -76.83 -35.06 57.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.61 -1.306 . . . . 0.0 112.328 -177.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -98.8 -30.47 12.4 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.268 -0.895 . . . . 0.0 113.014 -177.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' N ' ' HH ' ' A' ' 17' ' ' TYR . 21.4 tt0 -83.63 -10.51 58.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.099 -1.625 . . . . 0.0 109.114 -178.67 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.3 mt -132.78 58.54 1.76 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.3 m -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 110.044 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -138.02 -11.46 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.267 -0.896 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -70.02 -28.09 65.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.926 -1.109 . . . . 0.0 109.091 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tp -142.21 171.59 13.84 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.283 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 14.9 pt-20 -70.65 117.76 12.59 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.689 -1.204 . . . . 0.0 109.801 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.68 156.82 25.75 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.446 HG12 HH22 ' X' ' 104' ' ' ARG . 58.8 mt -101.91 127.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 O-C-N 120.957 -1.09 . . . . 0.0 108.552 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.46 -20.02 16.65 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.583 -0.698 . . . . 0.0 111.248 -176.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -128.51 136.4 50.75 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.117 -0.99 . . . . 0.0 110.088 -178.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -60.04 -25.34 65.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.578 -0.701 . . . . 0.0 110.074 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.0 -38.57 82.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.179 -0.951 . . . . 0.0 110.263 -179.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.05 -39.98 81.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.57 -36.81 77.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.4 -38.28 90.48 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.753 0.787 . . . . 0.0 109.969 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.25 -28.43 43.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.8 -35.45 77.03 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.359 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.61 -38.64 67.03 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 m -80.03 -49.54 11.65 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.143 -179.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 15.5 mt -89.65 -14.47 34.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.81 -1.181 . . . . 0.0 110.961 -177.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 38.1 t0 -81.85 60.95 4.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.021 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 86.6 mt-10 -59.64 -40.01 86.24 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.03 -19.49 63.3 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.21 80.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 23.6 p-10 -107.86 11.56 27.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.514 -0.992 . . . . 0.0 109.915 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 2.25 87.99 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 17.4 pt-20 -145.08 133.71 22.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.558 -0.966 . . . . 0.0 108.659 179.523 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 141.22 33.71 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' PHE . 86.6 m-20 -78.46 160.55 27.65 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 10.4 t80 -46.61 -35.75 6.23 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.306 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -59.99 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.545 -0.722 . . . . 0.0 110.861 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 35.7 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 110.718 -177.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.93 -31.68 69.56 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.938 -1.101 . . . . 0.0 109.348 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.9 mmm -59.97 -38.07 81.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.663 -0.648 . . . . 0.0 109.795 -178.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.597 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.307 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -36.31 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.81 -0.556 . . . . 0.0 110.266 -178.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -63.0 -39.98 96.4 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.476 -178.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtm -71.43 -45.78 61.82 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.142 -179.022 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.44 ' HA ' ' HZ2' ' X' ' 111' ' ' LYS . 22.0 t -61.49 -37.95 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.553 -178.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.6 m -59.94 -39.16 84.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.6 m -57.58 -39.4 76.68 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.415 -0.803 . . . . 0.0 108.869 178.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 -34.73 71.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 109.883 -179.225 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.608 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 11.9 t-80 -60.08 -39.93 87.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.032 -1.042 . . . . 0.0 108.537 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 0.0 109.616 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.11 -31.46 25.26 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.162 -0.961 . . . . 0.0 110.337 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -93.86 8.63 40.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.191 -0.943 . . . . 0.0 108.6 -179.602 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.94 98.59 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.595 0.712 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -59.95 -37.26 79.05 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 N--CA 1.493 1.723 0 O-C-N 121.871 -0.518 . . . . 0.0 . 179.683 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.63 28.03 17.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.342 -0.849 . . . . 0.0 109.608 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 4' ' ' GLU . 46.1 mt-10 -74.8 -10.01 59.1 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.55 -0.719 . . . . 0.0 109.11 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' B' ' 2' ' ' GLU . 10.2 tp -42.91 -24.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.552 -0.717 . . . . 0.0 110.525 -178.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 2' ' ' GLU . 18.4 pt-20 -71.97 -36.37 69.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.846 -1.159 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -82.65 -30.97 28.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.95 -1.094 . . . . 0.0 110.344 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.04 72.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.945 -1.097 . . . . 0.0 110.168 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -66.75 -40.0 88.12 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.22 -38.43 82.63 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.526 -0.734 . . . . 0.0 110.1 -179.42 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.17 75.44 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.625 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.91 -39.97 78.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.003 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.06 -46.15 90.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.88 -1.137 . . . . 0.0 111.932 -177.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -40.03 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 0.0 111.217 -177.085 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.02 -39.95 87.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.918 -1.114 . . . . 0.0 109.346 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.608 ' HE2' ' CD2' ' A' ' 85' ' ' HIS . 63.5 m-70 -65.24 -27.82 68.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.269 -0.895 . . . . 0.0 110.271 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.07 -40.45 89.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.803 -1.186 . . . . 0.0 110.324 -179.31 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 49.0 m-85 -91.9 -30.1 16.33 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.815 -1.178 . . . . 0.0 111.617 -179.323 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.476 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.3 p -60.06 -39.54 86.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.111 -0.993 . . . . 0.0 109.809 -178.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.15 -6.05 89.66 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' B' ' 20' ' ' ARG . 29.5 ttt-85 -60.04 -49.89 75.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.301 . . . . 0.0 109.713 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -91.64 -2.16 57.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.07 -1.019 . . . . 0.0 109.003 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.04 75.35 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' B' ' 26' ' ' LYS . 52.3 m-20 -83.21 69.14 9.87 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.189 -1.183 . . . . 0.0 108.526 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.9 -39.9 94.24 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.32 -0.862 . . . . 0.0 110.323 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.66 -24.2 49.45 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.172 -0.955 . . . . 0.0 111.763 -178.247 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.5 pttp -139.29 157.82 45.23 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.541 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.38 131.7 53.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.383 -0.823 . . . . 0.0 109.765 -178.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' SER . 63.0 tttm -100.58 146.53 27.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.98 -1.075 . . . . 0.0 109.595 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -44.18 -23.82 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.37 -0.831 . . . . 0.0 109.71 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 68.4 m -74.85 -50.02 18.52 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.16 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 56.1 tt0 -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.355 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.06 -40.36 89.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.707 -0.621 . . . . 0.0 109.69 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.54 ' NZ ' ' ND2' ' B' ' 37' ' ' ASN . 59.7 tttm -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.299 -0.875 . . . . 0.0 110.019 -179.686 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.5 OUTLIER -61.09 -40.03 92.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.934 -1.104 . . . . 0.0 108.767 179.858 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.04 74.25 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.877 -1.139 . . . . 0.0 109.908 178.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.05 -43.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 112.663 -177.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.54 ' ND2' ' NZ ' ' B' ' 33' ' ' LYS . 99.0 m-20 -77.05 -35.01 57.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.59 -1.319 . . . . 0.0 112.324 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -98.67 -30.64 12.34 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.245 -0.91 . . . . 0.0 112.974 -177.461 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.41 -10.82 58.18 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.129 -1.607 . . . . 0.0 109.11 -178.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.59 58.67 1.75 Allowed 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -60.03 -40.05 88.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.986 -179.306 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -138.18 -11.13 1.47 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.234 -0.916 . . . . 0.0 110.189 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.04 -28.06 65.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 109.068 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.28 171.84 13.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.27 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 15.9 pt-20 -70.76 117.89 12.85 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.787 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.532 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 38.0 tt0 -63.82 156.67 26.68 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.408 HG12 HH22 ' Y' ' 104' ' ' ARG . 63.8 mt -101.54 128.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.959 -1.088 . . . . 0.0 108.529 179.337 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.91 -20.03 16.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.511 -0.743 . . . . 0.0 111.093 -176.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -128.45 136.36 50.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.125 -178.298 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -59.99 -25.37 65.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.495 -0.753 . . . . 0.0 109.962 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.95 -38.68 83.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.167 -0.958 . . . . 0.0 110.337 -179.063 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.33 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.15 -38.36 90.76 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.722 0.773 . . . . 0.0 109.979 -179.354 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.59 -38.99 77.53 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.41 -28.49 43.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.595 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.73 -35.43 77.13 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.373 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -54.53 -38.74 66.93 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.141 -1.599 . . . . 0.0 106.74 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.7 m -79.97 -49.46 11.81 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.149 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 16.5 mt -89.66 -14.43 34.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.831 -1.168 . . . . 0.0 111.003 -177.678 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.5 t0 -81.97 60.81 4.98 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 83.8 mt-10 -59.51 -40.05 85.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.01 -19.4 63.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.57 32.19 80.42 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 23.8 p-10 -107.9 11.5 27.95 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.997 . . . . 0.0 109.933 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 2.16 88.13 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.3 pt-20 -144.96 133.77 22.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.519 -0.989 . . . . 0.0 108.705 179.581 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 141.1 33.89 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' B' ' 70' ' ' PHE . 85.7 m-20 -78.36 160.34 27.86 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' B' ' 69' ' ' ASP . 10.2 t80 -46.42 -35.64 5.74 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.287 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.621 -0.675 . . . . 0.0 110.93 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 35.7 mt-10 -60.05 -40.01 87.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.74 -177.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -69.9 -31.61 69.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.056 -1.027 . . . . 0.0 109.309 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.1 mmm -60.01 -38.09 81.62 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.705 -0.622 . . . . 0.0 109.731 -179.004 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.666 -178.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.104 -0.997 . . . . 0.0 110.379 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -36.37 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.82 -0.55 . . . . 0.0 110.207 -178.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -62.98 -40.02 96.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.537 -178.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 mtm -71.23 -46.21 61.62 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.099 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.468 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 21.9 t -61.0 -38.07 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 118.984 -1.087 . . . . 0.0 109.641 -178.385 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -39.46 85.78 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -57.28 -39.54 75.9 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.94 87.76 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.3 m -58.73 -34.58 71.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.477 -0.764 . . . . 0.0 109.907 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.57 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 11.8 t-160 -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.018 -1.051 . . . . 0.0 108.517 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.04 -39.94 94.04 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -84.27 -31.29 25.03 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.154 -0.966 . . . . 0.0 110.32 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -94.02 8.66 40.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.202 -0.936 . . . . 0.0 108.611 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.9 98.63 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.634 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -60.16 -37.04 78.94 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.911 -0.493 . . . . 0.0 . 179.628 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 45.06 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.369 -0.832 . . . . 0.0 109.499 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.13 37.97 0.99 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.006 -1.058 . . . . 0.0 109.604 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 52.39 45.39 28.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -60.83 99.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.963 -1.086 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 0.0 109.721 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.4 -40.04 92.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.437 -0.789 . . . . 0.0 109.828 -179.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.63 96.31 1.15 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -102.87 114.84 29.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.4 -1.059 . . . . 0.0 109.64 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' X' ' 103' ' ' SER . 60.4 p -72.21 -24.82 61.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.429 -0.794 . . . . 0.0 109.842 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.407 ' C ' ' O ' ' X' ' 101' ' ' SER . 5.9 t -42.25 -24.78 0.06 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.507 -0.745 . . . . 0.0 109.948 -179.563 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' X' ' 101' ' ' SER . 71.6 m -59.95 -36.78 77.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.499 -0.75 . . . . 0.0 109.467 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.516 ' NH1' ' CG ' ' X' ' 104' ' ' ARG . 0.1 OUTLIER -59.98 -39.45 85.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -0.922 . . . . 0.0 109.365 -179.346 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' X' ' 104' ' ' ARG . 63.4 t60 -59.99 -39.71 86.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.213 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -59.99 -31.26 69.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.147 -0.971 . . . . 0.0 109.401 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -59.34 -40.34 86.05 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.539 -1.351 . . . . 0.0 107.595 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.71 -37.06 83.94 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.444 ' O ' ' C ' ' X' ' 110' ' ' PHE . 13.5 mmt -46.46 -24.36 0.5 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.959 -1.088 . . . . 0.0 110.068 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.4 p90 -39.89 -49.44 2.42 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.396 -0.815 . . . . 0.0 109.823 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.592 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.5 ptpt -73.87 -36.78 64.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 10.3 m -60.04 -40.02 87.91 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 C--N 1.304 -1.413 0 O-C-N 121.466 -0.771 . . . . 0.0 . 179.293 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 45.17 -166.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.421 -0.8 . . . . 0.0 109.452 -179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 tp -91.9 37.83 0.98 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.0 -1.062 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 52.38 45.57 28.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.116 -0.99 . . . . 0.0 109.686 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 27.4 t -60.84 99.31 0.08 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.071 -1.018 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.23 -40.11 92.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.249 -0.907 . . . . 0.0 109.769 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.61 -39.96 93.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 0.0 109.881 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.45 96.3 1.13 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.9 115.15 30.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.306 -1.114 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.451 ' O ' ' N ' ' Y' ' 103' ' ' SER . 59.9 p -72.36 -24.86 61.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.837 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.407 ' C ' ' O ' ' Y' ' 101' ' ' SER . 6.1 t -42.26 -24.69 0.06 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.474 -0.766 . . . . 0.0 109.994 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.451 ' N ' ' O ' ' Y' ' 101' ' ' SER . 72.5 m -60.0 -36.71 77.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.514 -0.741 . . . . 0.0 109.494 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' B' ' 46' ' ' GLU . 0.1 OUTLIER -59.99 -39.52 86.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.387 -179.405 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' Y' ' 104' ' ' ARG . 66.9 t60 -59.95 -39.65 86.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.219 -0.926 . . . . 0.0 109.192 -179.379 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -60.01 -31.15 69.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -59.77 -40.15 87.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.504 -1.372 . . . . 0.0 107.611 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.408 ' HG ' ' HZ2' ' Y' ' 111' ' ' LYS . 5.0 tt -66.5 -37.38 84.93 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.634 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.45 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 13.9 mmt -46.2 -24.44 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.915 -1.116 . . . . 0.0 110.067 -179.646 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.4 p90 -39.91 -49.3 2.42 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -0.784 . . . . 0.0 109.941 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.59 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 11.5 ptpt -74.01 -36.73 64.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.272 -0.893 . . . . 0.0 109.827 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.418 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 10.9 m -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 . . . . . 0 C--N 1.304 -1.407 0 O-C-N 121.516 -0.74 . . . . 0.0 . 179.239 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.502 ' H1 ' ' CD ' ' B' ' 16' ' ' GLN . 7.2 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.37 32.04 20.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.35 -0.844 . . . . 0.0 109.142 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.55 -1.89 7.7 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.845 0.831 . . . . 0.0 108.919 179.423 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.81 -35.24 74.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 -177.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.89 -40.1 87.58 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.499 -1.376 . . . . 0.0 111.506 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.44 -31.92 60.5 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.36 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.471 -0.768 . . . . 0.0 111.735 -177.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.5 mtt -69.64 -39.13 77.29 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.88 -1.138 . . . . 0.0 109.622 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.89 -33.31 55.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.679 -0.638 . . . . 0.0 109.754 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.78 75.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.513 -0.742 . . . . 0.0 111.262 -179.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.98 -40.26 88.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.468 -1.395 . . . . 0.0 108.398 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.0 -38.69 82.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 O-C-N 121.657 -0.652 . . . . 0.0 110.066 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.33 -45.88 91.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.818 -1.176 . . . . 0.0 110.99 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.01 -39.99 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.304 -0.872 . . . . 0.0 111.048 -178.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -55.78 -39.95 71.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.149 -0.969 . . . . 0.0 108.916 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -75.38 -21.5 58.24 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.177 -0.952 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' CD ' ' H1 ' ' B' ' 0' ' ' MET . 28.1 mm100 -59.88 -40.5 88.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.526 -1.359 . . . . 0.0 110.993 -177.773 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 16.3 p90 -119.07 -24.0 6.65 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.098 -1.001 . . . . 0.0 111.328 -179.179 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.0 p -67.55 -38.09 83.64 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.616 -1.303 . . . . 0.0 109.461 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.1 -8.89 85.45 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -60.37 -42.62 96.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -1.09 . . . . 0.0 109.687 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.54 162.82 15.71 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.727 0.775 . . . . 0.0 109.916 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.75 -24.87 4.47 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 26' ' ' LYS . 85.7 m-20 -73.31 51.02 0.32 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.671 -1.487 . . . . 0.0 109.635 -179.486 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -71.31 -40.11 71.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.869 -1.144 . . . . 0.0 109.832 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -83.27 -11.59 57.6 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 23' ' ' ASP . 1.9 ptpm? -135.24 159.38 41.74 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.53 109.39 14.28 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.016 -1.053 . . . . 0.0 109.869 -178.386 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 30' ' ' SER . 39.6 pttt -89.74 149.73 22.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.778 -1.201 . . . . 0.0 109.046 179.181 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.0 ptpt -38.98 -24.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.121 0.486 . . . . 0.0 110.491 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.6 m -72.67 -45.24 59.91 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.644 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -68.09 -38.91 82.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.054 -1.029 . . . . 0.0 108.995 179.106 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.86 -39.95 86.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 108.915 179.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -60.0 -39.7 86.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.415 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.96 -40.03 95.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.576 -0.702 . . . . 0.0 110.92 -178.136 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.56 -48.91 65.59 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 120.43 -1.419 . . . . 0.0 108.682 179.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -70.26 -43.15 78.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.326 -0.859 . . . . 0.0 111.689 -177.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.2 t-20 -77.9 -36.73 49.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.534 -1.354 . . . . 0.0 111.688 -178.258 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.69 -37.95 9.29 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.786 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.23 -19.07 24.58 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.223 -1.548 . . . . 0.0 110.733 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -114.34 51.76 0.87 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.235 -0.915 . . . . 0.0 109.627 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -72.29 -61.66 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.041 -1.037 . . . . 0.0 110.67 -179.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.707 ' HD1' ' N ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -94.0 -8.76 39.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.877 -1.139 . . . . 0.0 109.91 -179.759 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.707 ' N ' ' HD1' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -61.58 -48.59 80.24 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.796 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.5 pp -159.46 175.62 13.08 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.487 -0.758 . . . . 0.0 109.68 179.562 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.532 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -52.85 99.03 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.73 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 pt-20 -63.67 164.28 10.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.4 mm -79.94 140.37 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 110.203 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' HZ1' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -106.61 -16.78 14.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 109.988 -179.793 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.39 152.28 48.25 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.248 -0.908 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.3 62.41 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.571 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -61.06 -39.98 91.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.422 -0.799 . . . . 0.0 110.54 -179.003 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' H ' ' HG3' ' A' ' 51' ' ' GLU . 59.5 t -60.76 -39.85 83.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.633 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.76 -37.01 78.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.581 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.26 -39.93 94.51 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.046 0.927 . . . . 0.0 109.18 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.46 -39.79 92.42 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.39 -27.69 41.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.88 -32.28 70.54 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.363 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.84 -36.03 67.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -83.05 -48.87 10.13 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.198 -179.74 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.5 mt -89.08 -15.16 34.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.783 -1.198 . . . . 0.0 110.683 -177.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.5 t0 -80.09 63.93 4.76 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.271 -1.372 . . . . 0.0 107.5 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -59.52 -39.87 85.31 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.419 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.26 -20.09 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.01 76.05 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p-10 -109.99 14.12 23.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.259 -1.142 . . . . 0.0 110.31 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.4 17.55 76.25 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 -179.008 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 35.5 tt0 -152.01 138.93 19.0 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.668 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.33 141.62 47.38 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' PHE . 76.5 m-20 -74.97 160.32 30.71 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.338 -0.851 . . . . 0.0 109.0 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' ASP . 2.6 t80 -46.52 -36.39 6.69 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.176 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.858 -0.526 . . . . 0.0 110.692 178.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.13 -40.08 88.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 110.005 -178.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -61.38 -39.76 91.86 Favored 'General case' 0 C--N 1.296 -1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.305 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -60.11 -39.62 86.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.648 -0.657 . . . . 0.0 111.064 -178.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -65.88 -34.16 77.5 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.703 -1.248 . . . . 0.0 110.488 -178.445 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.34 -35.73 76.33 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.035 -1.041 . . . . 0.0 110.585 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -34.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 O-C-N 121.371 -0.831 . . . . 0.0 110.094 -178.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 9.3 p -66.92 -40.21 87.57 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.355 -0.84 . . . . 0.0 110.556 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.6 ptm -75.15 -40.08 59.91 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.464 -178.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.41 -36.67 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.557 -1.34 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -59.96 -40.11 87.89 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -55.53 -39.57 70.73 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.98 76.16 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 4.8 t -60.01 -34.95 74.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -59.6 -40.19 86.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.866 -1.146 . . . . 0.0 108.506 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.69 -39.49 91.34 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.505 -0.747 . . . . 0.0 109.212 178.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -84.96 -24.18 28.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 111.035 -178.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 90' ' ' HIS . 55.5 t80 -60.74 -24.38 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.222 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -50.89 87.89 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.528 -0.733 . . . . 0.0 109.597 -179.379 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.558 ' N ' ' O ' ' A' ' 88' ' ' PHE . 56.6 p-80 -74.01 -20.03 60.45 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.506 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.567 -0.708 . . . . 0.0 . 179.851 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.497 ' H1 ' ' CD ' ' A' ' 16' ' ' GLN . 7.7 ptm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.46 31.75 20.39 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 109.144 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.58 -2.25 8.54 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.913 0.863 . . . . 0.0 108.974 179.401 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.65 -35.07 73.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.826 -177.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -39.68 87.51 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.54 -1.35 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.34 -32.29 60.84 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.824 -1.173 . . . . 0.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.16 74.54 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.62 -177.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.1 mtt -69.31 -39.36 78.32 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.959 -1.088 . . . . 0.0 109.67 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.91 -33.38 55.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.562 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.84 75.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.476 -0.765 . . . . 0.0 111.401 -178.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.01 -40.5 89.47 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.627 -1.296 . . . . 0.0 108.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.428 HG22 HD12 ' B' ' 11' ' ' ILE . 74.5 mt -65.72 -38.82 83.16 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 121.809 -0.557 . . . . 0.0 110.113 179.358 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.79 -45.28 95.01 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.806 -1.184 . . . . 0.0 110.909 -179.201 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.29 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.309 -0.869 . . . . 0.0 111.004 -178.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.442 ' O ' ' OG ' ' B' ' 18' ' ' SER . 69.6 t80 -55.96 -39.5 71.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.072 -1.017 . . . . 0.0 108.853 -179.606 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -75.48 -21.95 57.63 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.078 -1.014 . . . . 0.0 111.073 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.502 ' CD ' ' H1 ' ' A' ' 0' ' ' MET . 28.2 mm100 -59.62 -40.63 88.2 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.544 -1.347 . . . . 0.0 111.026 -177.631 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.7 p90 -119.09 -23.59 6.78 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.121 -0.987 . . . . 0.0 111.362 -179.068 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -68.12 -37.22 80.86 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.574 -1.329 . . . . 0.0 109.529 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 -8.21 86.97 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -1.126 . . . . 0.0 109.548 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.34 163.24 15.09 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.685 0.755 . . . . 0.0 109.904 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.88 -25.42 5.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.4 m-20 -72.95 50.84 0.28 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.788 -1.419 . . . . 0.0 109.689 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -70.79 -40.07 72.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.882 -1.136 . . . . 0.0 109.622 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.118 -0.989 . . . . 0.0 111.533 -178.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' B' ' 23' ' ' ASP . 1.8 ptpm? -135.85 158.95 43.14 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 tp -122.08 109.18 14.24 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.974 -1.079 . . . . 0.0 109.821 -178.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.7 pttt -89.05 149.91 23.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.671 -1.268 . . . . 0.0 109.0 179.158 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.3 ptpt -39.19 -24.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.808 -0.558 . . . . 0.0 110.578 179.882 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 28' ' ' LYS . 65.8 m -72.66 -45.6 58.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.631 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.06 -38.85 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.066 . . . . 0.0 108.824 179.323 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.78 -39.97 86.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -60.05 -40.02 87.97 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.63 -40.0 95.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.32 -49.14 65.35 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.313 -1.492 . . . . 0.0 108.769 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.06 -43.12 79.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.371 -0.83 . . . . 0.0 111.662 -177.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.9 t-20 -78.35 -36.3 46.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.47 -1.394 . . . . 0.0 111.748 -178.168 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.66 -38.31 9.17 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.833 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -90.15 -19.28 24.44 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.422 -1.424 . . . . 0.0 110.701 -177.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.2 mt -114.07 51.45 0.87 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.236 -0.915 . . . . 0.0 109.659 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.8 t -71.95 -61.56 1.74 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.069 -1.019 . . . . 0.0 110.942 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.698 ' HD1' ' N ' ' B' ' 43' ' ' PHE . 0.0 OUTLIER -94.51 -8.46 38.31 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.858 -1.151 . . . . 0.0 109.839 -179.728 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.698 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 0.2 OUTLIER -61.73 -48.98 78.28 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.628 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 46' ' ' GLU . 1.7 pp -159.12 174.84 14.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.422 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.501 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.7 tp10 -52.78 99.55 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.587 -179.503 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 44' ' ' LEU . 15.2 pt-20 -64.04 164.58 10.34 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.463 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.6 mm -80.31 140.18 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.001 -1.062 . . . . 0.0 110.117 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.501 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -106.39 -17.2 14.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.536 -0.728 . . . . 0.0 109.803 -179.661 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -138.16 152.52 48.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -21.91 62.09 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 52' ' ' VAL . 0.8 OUTLIER -61.01 -39.96 91.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.415 -0.803 . . . . 0.0 110.449 -179.191 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.406 ' H ' ' HG3' ' B' ' 51' ' ' GLU . 60.3 t -60.91 -39.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.663 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.65 -36.8 77.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.559 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.51 -39.79 94.64 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 122.113 0.959 . . . . 0.0 109.163 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -65.42 -40.41 93.32 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.12 -27.82 41.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.085 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -70.07 -31.8 69.57 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.442 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.15 -36.4 68.23 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 178.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -82.41 -49.02 10.44 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.186 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 mt -88.95 -15.07 35.17 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.835 -1.166 . . . . 0.0 110.841 -177.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.9 t0 -79.94 63.38 4.45 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 118.241 -1.384 . . . . 0.0 107.583 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.38 -39.74 84.32 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -70.07 -20.15 63.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.99 29.99 76.12 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 30.8 p-10 -110.03 14.37 23.01 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.367 -1.078 . . . . 0.0 110.295 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.495 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.86 17.86 75.62 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -179.07 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.3 tt0 -151.95 139.25 19.37 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.808 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 141.9 47.03 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' B' ' 70' ' ' PHE . 76.6 m-20 -75.51 161.0 29.56 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' B' ' 69' ' ' ASP . 2.5 t80 -46.61 -36.42 6.93 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.071 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.47 -49.19 78.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.695 -0.628 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.35 -39.76 88.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 110.202 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.61 -38.99 92.33 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.338 -0.851 . . . . 0.0 109.188 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.99 -39.6 86.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.673 -0.642 . . . . 0.0 111.101 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.11 -33.81 76.62 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.787 -1.195 . . . . 0.0 110.571 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -61.17 -35.04 76.06 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.88 -1.138 . . . . 0.0 110.516 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -34.62 65.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 121.295 -0.878 . . . . 0.0 110.0 -178.65 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 5.6 p -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.865 . . . . 0.0 110.496 -178.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.7 ptm -75.12 -40.49 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.971 -1.081 . . . . 0.0 111.447 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.82 -37.28 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.495 -1.378 . . . . 0.0 109.251 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.9 m -59.9 -39.85 86.79 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -55.41 -40.0 70.91 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.57 75.1 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' B' ' 88' ' ' PHE . 4.7 t -60.16 -35.02 74.4 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.55 -40.08 86.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.939 -1.101 . . . . 0.0 108.505 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.69 -39.76 91.61 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.13 178.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -84.76 -24.25 28.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' B' ' 90' ' ' HIS . 55.3 t80 -60.89 -24.32 65.88 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.954 -1.091 . . . . 0.0 109.158 -179.544 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -50.82 88.1 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.585 -0.697 . . . . 0.0 109.45 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 88' ' ' PHE . 56.8 p-80 -74.08 -20.54 60.24 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.508 -0.745 . . . . 0.0 . 179.791 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.294 0.568 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -81.59 141.48 33.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.508 -0.745 . . . . 0.0 109.418 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.56 -3.56 58.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 52.87 83.35 0.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.468 -0.77 . . . . 0.0 109.679 178.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 66.4 m -60.06 -40.02 87.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.453 -179.613 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.25 138.61 52.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -154.83 164.57 38.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.55 163.29 36.15 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' X' ' 100' ' ' GLN . 26.9 mp0 -99.01 138.32 36.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.171 -1.194 . . . . 0.0 109.756 -179.696 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -57.71 -25.61 60.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 109.107 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.526 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 81.3 p -50.0 -26.95 4.77 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.494 -0.754 . . . . 0.0 108.995 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 83.6 p -54.44 -25.65 26.28 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.203 -0.935 . . . . 0.0 108.63 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.577 HH11 ' HZ1' ' A' ' 48' ' ' LYS . 99.4 mtt180 -60.07 -39.9 87.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.408 -0.807 . . . . 0.0 109.368 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.9 OUTLIER -57.9 -31.31 66.64 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.557 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 87.4 tttt -59.91 -32.64 70.95 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.664 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttm -59.5 -40.07 85.83 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.864 -1.147 . . . . 0.0 108.154 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.14 -26.32 64.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 109.878 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -61.98 -24.74 67.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.558 -1.339 . . . . 0.0 109.816 179.856 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.75 -31.22 10.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.548 -1.345 . . . . 0.0 109.257 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.93 -30.97 40.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.386 -0.821 . . . . 0.0 109.436 179.267 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 77.6 p -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.916 -1.115 . . . . 0.0 108.594 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.423 -0.798 . . . . 0.0 . 179.838 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.506 0.67 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -80.7 140.9 35.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.598 -0.689 . . . . 0.0 109.643 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 86.3 mt -87.89 -3.46 58.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 52.98 83.53 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.392 -0.818 . . . . 0.0 109.674 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 68.7 m -59.92 -40.1 87.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.649 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -118.11 137.81 52.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 109.672 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -154.27 164.3 38.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.364 -0.835 . . . . 0.0 109.083 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.21 163.22 38.79 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' Y' ' 100' ' ' GLN . 27.4 mp0 -98.6 138.51 35.69 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -1.182 . . . . 0.0 109.867 -179.331 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 29.2 m -57.54 -25.32 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.401 -0.812 . . . . 0.0 109.138 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 77.5 p -49.96 -26.97 4.72 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.125 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -54.5 -25.56 26.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.935 . . . . 0.0 108.525 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.93 -39.86 86.95 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.444 -0.785 . . . . 0.0 109.531 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.5 OUTLIER -58.1 -31.28 66.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.013 -1.054 . . . . 0.0 108.553 179.925 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 88.2 tttt -60.18 -32.65 71.27 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.2 tttm -59.67 -39.72 85.39 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.901 -1.125 . . . . 0.0 108.336 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.38 -26.05 64.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 0.0 109.56 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.19 -24.73 67.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.591 -1.318 . . . . 0.0 109.949 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.51 -31.51 10.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.561 -1.337 . . . . 0.0 109.266 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -79.68 -31.42 41.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.351 -0.843 . . . . 0.0 109.553 179.504 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 71.3 p -59.72 -33.63 71.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.977 -1.077 . . . . 0.0 108.72 179.765 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 . 179.675 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 t 58.49 16.7 4.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.252 -0.905 . . . . 0.0 110.524 179.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 5' ' ' LYS . 41.9 mt-10 -76.01 2.01 13.87 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 108.575 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.25 -28.72 0.34 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.965 -0.459 . . . . 0.0 110.638 -178.516 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -40.01 81.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 0.0 108.564 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.717 ' HZ2' ' HZ2' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -70.01 -38.76 76.03 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.915 -0.491 . . . . 0.0 110.182 -179.9 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.01 82.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 111.136 -178.041 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.7 mtt -66.04 -40.01 90.65 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.936 -1.103 . . . . 0.0 109.751 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.59 -38.84 83.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 109.644 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.91 85.28 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.558 -0.714 . . . . 0.0 111.798 -178.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.76 -1.212 . . . . 0.0 108.137 -179.349 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.98 -40.05 86.29 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.19 -47.22 86.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.678 -1.264 . . . . 0.0 111.124 -178.834 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -39.97 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.03 -1.044 . . . . 0.0 109.381 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 7.3 t80 -59.71 -37.32 78.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.154 -0.966 . . . . 0.0 109.026 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.4 -33.33 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.267 -0.896 . . . . 0.0 111.251 -179.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.99 -40.38 88.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.496 -1.378 . . . . 0.0 110.56 -178.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.96 -22.57 17.87 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.955 -1.091 . . . . 0.0 112.148 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.9 p -60.01 -40.01 87.78 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 120.872 -1.143 . . . . 0.0 108.474 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.33 55.79 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -60.01 -47.76 84.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.827 -1.396 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -109.23 -24.22 11.22 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.252 -0.905 . . . . 0.0 109.769 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.41 -16.71 4.08 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.26 75.5 8.22 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.828 -1.395 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.93 -40.03 95.52 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.36 -0.837 . . . . 0.0 109.671 -179.218 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -80.8 -16.55 53.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.809 . . . . 0.0 111.32 -179.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -134.65 150.84 50.7 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.878 -1.139 . . . . 0.0 110.919 -179.11 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.97 130.44 56.53 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 35.9 mtmm -97.32 151.6 19.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.102 -0.999 . . . . 0.0 108.574 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.17 -23.0 0.73 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 28' ' ' LYS . 80.9 p -77.18 -49.94 14.05 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.279 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 28' ' ' LYS . 78.2 mt-10 -61.65 -36.26 80.28 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.455 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -37.53 80.08 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -59.91 -40.08 87.59 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.183 -0.948 . . . . 0.0 109.341 -179.781 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 30' ' ' SER . 5.0 mp0 -69.97 -40.07 75.58 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 110.51 -179.001 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.1 tm? -61.06 -49.02 79.05 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.568 -1.332 . . . . 0.0 108.701 179.166 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.76 -44.62 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.669 -0.645 . . . . 0.0 112.551 -178.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.4 t-20 -79.09 -29.92 43.58 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.583 -1.323 . . . . 0.0 113.808 -175.439 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -101.42 -38.36 8.05 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.076 -1.015 . . . . 0.0 113.229 -176.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.41 -12.51 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.608 -1.308 . . . . 0.0 109.68 -177.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 2.4 mm? -100.96 50.8 0.86 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.185 -0.947 . . . . 0.0 108.963 179.4 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LEU . 19.0 m -41.53 -56.21 2.62 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.201 -0.937 . . . . 0.0 110.384 -178.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -142.82 1.07 1.28 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.946 -1.096 . . . . 0.0 110.048 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -69.99 -37.74 75.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.02 -1.05 . . . . 0.0 109.754 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.6 tp -138.14 155.05 49.11 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.437 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -61.6 115.88 4.3 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.562 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -61.04 165.63 4.09 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.839 0.828 . . . . 0.0 109.812 179.265 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.4 mm -87.14 138.97 18.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 109.748 -178.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.37 148.15 52.16 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.399 -0.813 . . . . 0.0 110.392 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -69.47 -21.83 63.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.605 -0.685 . . . . 0.0 110.12 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG13 ' HD1' ' X' ' 105' ' ' HIS . 94.1 t -60.02 -39.62 80.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.177 -0.952 . . . . 0.0 108.642 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.18 -34.26 68.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 110.172 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.21 -38.46 88.03 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 122.004 0.906 . . . . 0.0 109.462 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HZ1' ' HE2' ' X' ' 105' ' ' HIS . 60.2 tttm -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.23 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.23 -30.89 70.92 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.492 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.62 -39.98 86.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.145 -1.597 . . . . 0.0 106.744 178.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -81.26 -40.2 24.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.629 -0.669 . . . . 0.0 111.215 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 10.9 mt -88.48 -19.93 25.82 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.892 -1.13 . . . . 0.0 110.778 -178.211 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 57' ' ' MET . 46.8 t0 -82.08 60.62 4.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.712 -1.242 . . . . 0.0 107.779 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 79.7 mt-10 -59.96 -39.92 87.29 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.289 0.566 . . . . 0.0 109.573 -178.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 68.0 m-20 -76.16 -11.63 59.96 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.6 31.31 78.22 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 49.0 p-10 -106.33 3.01 27.09 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.215 -1.168 . . . . 0.0 109.431 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.524 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.65 6.39 88.3 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.3 mt-10 -138.21 129.24 27.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.712 -0.875 . . . . 0.0 109.052 -179.429 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.69 127.04 42.3 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' PHE . 89.8 m-20 -77.76 169.64 17.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.784 . . . . 0.0 110.875 -177.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 7.3 t80 -41.37 -42.36 2.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.68 -50.96 63.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.708 -0.62 . . . . 0.0 110.585 179.729 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 39.1 mt-10 -60.0 -42.04 93.39 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.349 -0.844 . . . . 0.0 111.278 -178.101 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.58 -36.76 83.41 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 109.303 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -39.92 87.98 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.499 0.666 . . . . 0.0 110.944 -178.044 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.98 69.94 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 120.897 -1.127 . . . . 0.0 111.436 -177.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -66.37 -36.54 83.12 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.967 -1.083 . . . . 0.0 110.074 -179.683 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -39.93 84.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.437 -0.789 . . . . 0.0 109.792 -179.664 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.455 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -66.16 -40.01 90.21 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.506 -179.077 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.8 mtp -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.541 -0.725 . . . . 0.0 111.188 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.7 t -69.54 -33.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.95 -1.094 . . . . 0.0 109.346 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.0 m -59.9 -39.99 87.25 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -40.62 66.59 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.9 88.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.23 -0.919 . . . . 0.0 108.573 178.024 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.0 t -60.03 -31.38 69.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.026 . . . . 0.0 109.25 179.781 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.485 ' CD2' ' CZ ' ' B' ' 70' ' ' PHE . 43.9 t-80 -60.02 -49.34 78.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 0.0 109.863 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -34.54 76.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.804 -1.185 . . . . 0.0 108.696 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -80.34 -21.38 42.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.539 -0.726 . . . . 0.0 109.732 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 44.4 t80 -81.16 -7.77 59.63 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.239 -0.913 . . . . 0.0 109.026 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 63.9 mm-40 -77.57 96.08 4.69 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.156 -0.965 . . . . 0.0 109.285 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.401 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 80.0 m-70 -80.97 -7.75 59.61 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 89' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 . -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t 58.1 16.79 4.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.315 -0.865 . . . . 0.0 110.537 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 5' ' ' LYS . 41.9 mt-10 -75.9 1.62 14.64 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.715 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.15 -28.56 0.3 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.965 -0.46 . . . . 0.0 110.673 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -39.94 81.68 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.794 -1.191 . . . . 0.0 108.549 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.717 ' HZ2' ' HZ2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -70.11 -38.79 75.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.9 -0.5 . . . . 0.0 110.279 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.95 83.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.252 -0.905 . . . . 0.0 111.207 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.31 -39.91 89.61 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.57 -39.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 O-C-N 121.66 -0.65 . . . . 0.0 109.666 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.0 85.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 0.0 111.857 -178.028 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.05 -40.02 88.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.648 -1.283 . . . . 0.0 107.954 -179.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.98 -39.94 85.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.521 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 96.7 m-20 -60.17 -47.25 86.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.747 -1.221 . . . . 0.0 111.204 -178.852 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -40.03 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.965 -1.084 . . . . 0.0 109.394 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 7.4 t80 -59.53 -37.39 78.25 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.109 -0.995 . . . . 0.0 109.05 179.554 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.23 -33.48 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 111.27 -179.049 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.606 ' NE2' ' N ' ' B' ' 16' ' ' GLN . 0.1 OUTLIER -60.04 -40.19 88.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.531 -1.355 . . . . 0.0 110.625 -178.917 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -95.03 -22.56 17.85 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.957 -1.089 . . . . 0.0 112.181 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.93 -40.04 87.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.521 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.34 13.11 56.69 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -60.05 -47.71 84.72 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.841 -1.388 . . . . 0.0 110.78 -178.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.13 -24.38 11.18 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.25 -0.906 . . . . 0.0 109.801 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 -16.96 4.01 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -81.05 75.42 8.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.358 . . . . 0.0 108.301 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.8 -40.03 95.67 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.424 -0.798 . . . . 0.0 109.655 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -80.99 -16.57 53.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.363 -0.836 . . . . 0.0 111.342 -179.127 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -134.7 150.57 50.63 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.857 -1.152 . . . . 0.0 110.861 -179.165 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.56 130.93 56.27 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' B' ' 31' ' ' GLU . 36.2 mtmm -97.59 151.89 19.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.091 -1.006 . . . . 0.0 108.515 179.276 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -48.39 -22.94 0.79 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' B' ' 28' ' ' LYS . 79.3 p -77.13 -50.02 13.94 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.234 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' B' ' 28' ' ' LYS . 82.9 mt-10 -61.51 -36.36 80.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.468 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.05 -37.57 80.23 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.192 -0.943 . . . . 0.0 109.303 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE1' ' O ' ' B' ' 30' ' ' SER . 5.0 mp0 -70.05 -40.02 75.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 110.577 -179.172 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.86 -49.23 78.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.455 -1.403 . . . . 0.0 108.704 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.66 -44.41 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.677 -0.639 . . . . 0.0 112.643 -178.077 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.4 t-20 -79.08 -30.58 44.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.49 -1.381 . . . . 0.0 113.723 -175.371 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -101.17 -37.89 8.36 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 121.088 -1.008 . . . . 0.0 113.359 -176.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.6 -12.46 59.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.524 -1.36 . . . . 0.0 109.73 -177.629 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 2.3 mm? -101.03 50.89 0.86 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.266 -0.896 . . . . 0.0 108.843 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' B' ' 40' ' ' LEU . 18.6 m -41.68 -56.29 2.68 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.258 -0.901 . . . . 0.0 110.232 -178.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -142.74 1.32 1.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.93 -1.106 . . . . 0.0 110.036 179.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -69.95 -38.04 76.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.031 -1.043 . . . . 0.0 109.701 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 tp -138.28 155.2 48.84 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.38 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -61.45 115.49 3.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.922 -1.111 . . . . 0.0 108.646 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -60.93 165.5 4.05 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.857 0.837 . . . . 0.0 109.699 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.459 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 5.3 mm -87.09 138.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -106.86 -22.82 12.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 109.724 -179.009 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.29 148.25 52.1 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.394 -0.816 . . . . 0.0 110.433 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -69.38 -21.94 63.75 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.4 pt-20 -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.416 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 81.5 t -60.08 -39.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.03 -1.044 . . . . 0.0 108.519 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.84 -34.32 69.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 O-C-N 121.891 -0.506 . . . . 0.0 110.195 -179.402 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.32 -38.36 87.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.94 0.876 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.756 ' HZ1' ' HE2' ' Y' ' 105' ' ' HIS . 60.8 tttm -69.98 -39.16 76.11 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.19 -30.8 51.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.58 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.99 -30.92 71.17 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.514 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.56 -39.98 85.84 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.1 m -81.57 -39.94 23.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.55 -0.719 . . . . 0.0 111.234 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 10.8 mt -88.52 -20.24 25.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.884 -1.135 . . . . 0.0 110.815 -178.359 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.8 t0 -81.8 60.54 4.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 107.824 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.49 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 79.4 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.279 0.561 . . . . 0.0 109.5 -178.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 67.8 m-20 -75.83 -11.58 60.01 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.217 -0.927 . . . . 0.0 108.54 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.39 31.26 78.38 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 49.0 p-10 -106.22 3.15 27.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.204 -1.174 . . . . 0.0 109.366 -179.64 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.534 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.5 6.7 88.12 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -179.219 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.7 mt-10 -138.59 129.68 26.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.736 -0.861 . . . . 0.0 108.95 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.99 126.67 42.29 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.24 169.17 18.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.492 -0.755 . . . . 0.0 110.952 -178.065 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.558 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 7.5 t80 -41.05 -42.28 1.91 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.94 -50.61 63.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 39.1 mt-10 -60.44 -41.8 94.8 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.36 -0.838 . . . . 0.0 111.168 -177.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.92 -36.53 82.45 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.018 -1.051 . . . . 0.0 109.234 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.44 -39.71 88.49 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.5 0.666 . . . . 0.0 110.857 -178.05 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.09 70.28 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.917 -1.114 . . . . 0.0 111.45 -177.731 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -66.63 -36.17 81.93 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.933 -1.105 . . . . 0.0 110.079 -179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.94 85.13 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 O-C-N 121.446 -0.784 . . . . 0.0 109.727 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.456 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -66.27 -39.97 89.8 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.111 -1.036 . . . . 0.0 109.521 -179.011 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 34.4 mtp -64.26 -40.95 97.05 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.532 -0.73 . . . . 0.0 111.251 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.52 -33.72 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.07 -39.96 87.86 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -40.34 65.79 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.02 89.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.187 -0.946 . . . . 0.0 108.496 177.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.8 t -59.96 -31.39 69.83 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.02 -1.05 . . . . 0.0 109.322 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.528 ' CD2' ' CZ ' ' A' ' 70' ' ' PHE . 44.2 t-80 -59.94 -49.54 77.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.977 -1.077 . . . . 0.0 109.884 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -34.66 76.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.724 -1.235 . . . . 0.0 108.717 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.3 -21.38 42.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.463 -0.773 . . . . 0.0 109.74 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 44.4 t80 -81.23 -7.57 59.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.276 -0.89 . . . . 0.0 109.071 -179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.43 ' O ' ' OE1' ' B' ' 91' ' ' GLU . 63.2 mm-40 -77.82 95.94 4.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.086 -1.008 . . . . 0.0 109.22 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -80.85 -8.03 59.6 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 89' ' ' GLU . 59.0 mp0 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.41 -0.806 . . . . 0.0 . -179.394 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.239 0.542 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . 0.71 ' CG ' ' H ' ' X' ' 94' ' ' LEU . 42.0 t60 49.85 -143.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.71 ' H ' ' CG ' ' X' ' 93' ' ' HIS . 86.4 mt 49.39 -141.75 0.64 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.482 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -158.86 139.11 12.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.12 -0.988 . . . . 0.0 109.488 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -70.17 158.85 35.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.171 -0.956 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -143.02 150.02 39.05 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.274 -0.891 . . . . 0.0 109.485 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.69 -40.01 93.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 0.0 109.187 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.13 156.14 6.68 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.05 158.53 44.24 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.247 -1.149 . . . . 0.0 109.53 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 81.1 p -64.0 -25.0 67.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.369 -0.832 . . . . 0.0 109.632 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 90.0 m -50.05 -29.4 8.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -0.963 . . . . 0.0 108.956 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 44.1 t -59.95 -41.29 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.371 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER -60.66 -40.02 90.52 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.374 -0.829 . . . . 0.0 109.313 178.849 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.577 ' HE2' ' HZ1' ' A' ' 55' ' ' LYS . 69.8 t60 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.179 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.428 ' CB ' ' HZ1' ' X' ' 106' ' ' LYS . 0.6 OUTLIER -61.56 -33.66 74.24 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.63 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.98 -43.21 95.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.314 -178.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.526 ' CD2' ' NZ ' ' X' ' 111' ' ' LYS . 2.9 tp -73.07 -29.19 62.77 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.103 -0.998 . . . . 0.0 109.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.537 ' O ' ' N ' ' X' ' 112' ' ' THR . 30.5 mmt -56.93 -24.23 51.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.992 -1.067 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 6.4 p90 -40.01 -46.99 2.2 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.201 -0.937 . . . . 0.0 109.624 -179.274 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.612 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 24.5 pttt -69.7 -32.9 71.76 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.186 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.537 ' N ' ' O ' ' X' ' 109' ' ' MET . 89.4 m -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.592 -0.692 . . . . 0.0 109.16 -178.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.359 -0.838 . . . . 0.0 . -179.826 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . 0.404 ' H1 ' ' H ' ' Y' ' 93' ' ' HIS . 95.6 p . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.253 0.549 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.726 ' CG ' ' H ' ' Y' ' 94' ' ' LEU . 44.4 t60 49.76 -143.39 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.0 109.397 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.726 ' H ' ' CG ' ' Y' ' 93' ' ' HIS . 85.9 mt 49.45 -141.96 0.63 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -158.85 139.13 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.2 -0.938 . . . . 0.0 109.513 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 95.9 p -70.1 158.98 34.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.185 -0.947 . . . . 0.0 109.585 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -143.33 149.93 38.47 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.29 -0.881 . . . . 0.0 109.545 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.33 -39.98 92.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.46 156.35 6.76 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -136.93 158.67 43.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.261 -1.14 . . . . 0.0 109.525 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -64.03 -24.88 67.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.39 -0.819 . . . . 0.0 109.619 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 87.3 m -50.23 -29.47 9.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.201 -0.937 . . . . 0.0 108.967 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -60.0 -41.02 91.21 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -60.6 -39.99 90.15 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.399 -0.813 . . . . 0.0 109.29 178.701 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.756 ' HE2' ' HZ1' ' B' ' 55' ' ' LYS . 69.2 t60 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 109.277 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.434 ' CB ' ' HZ3' ' Y' ' 106' ' ' LYS . 1.1 mmmm -61.49 -34.03 74.79 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.51 -0.744 . . . . 0.0 109.042 179.52 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -59.96 -43.22 95.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 110.425 -178.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.527 ' CD2' ' NZ ' ' Y' ' 111' ' ' LYS . 3.3 tp -73.13 -29.02 62.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.046 -1.034 . . . . 0.0 109.26 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.529 ' O ' ' N ' ' Y' ' 112' ' ' THR . 30.4 mmt -57.12 -24.23 52.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.083 -1.011 . . . . 0.0 110.608 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 6.3 p90 -39.94 -47.21 2.18 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.155 -0.966 . . . . 0.0 109.652 -179.237 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 25.2 pttt -69.19 -34.01 74.25 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.529 ' N ' ' O ' ' Y' ' 109' ' ' MET . 84.9 m -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.653 -0.654 . . . . 0.0 109.381 -179.223 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.535 -0.728 . . . . 0.0 . -179.474 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.572 ' H ' HE22 ' B' ' 16' ' ' GLN . 1.4 m 60.0 32.78 21.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -75.93 23.4 0.13 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.153 -0.967 . . . . 0.0 109.406 179.607 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 1' ' ' SER . 56.1 tp -59.65 -26.81 65.82 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.916 -0.713 . . . . 0.0 109.083 -179.767 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.48 -39.98 92.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.171 -0.956 . . . . 0.0 108.988 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -68.3 -40.02 81.88 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.926 -0.484 . . . . 0.0 110.812 -178.644 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.04 74.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 111.353 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.36 -39.93 89.44 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.041 -1.037 . . . . 0.0 109.683 -179.18 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.17 -37.05 78.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.76 88.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.802 -0.561 . . . . 0.0 111.47 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.667 -1.271 . . . . 0.0 108.238 -179.052 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.96 -37.3 72.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 121.793 -0.567 . . . . 0.0 110.477 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.11 -43.48 98.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.016 -1.053 . . . . 0.0 111.638 -178.342 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -39.89 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.04 -1.038 . . . . 0.0 109.094 -178.773 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.08 -39.29 69.13 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.98 74.11 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.424 -0.798 . . . . 0.0 110.542 -179.413 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.628 HE22 ' H ' ' B' ' 1' ' ' SER . 74.9 mt-30 -59.95 -40.0 87.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 111.421 -178.446 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.89 -24.96 17.52 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.791 -1.193 . . . . 0.0 112.207 -178.158 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 p -60.2 -40.08 88.82 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.761 -1.212 . . . . 0.0 109.314 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.2 9.1 67.88 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.93 -50.08 75.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.939 -1.33 . . . . 0.0 111.398 -178.347 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.19 13.47 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 -179.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 123.58 -20.66 7.32 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.555 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 21.2 m-20 -73.01 62.66 0.63 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.582 -1.54 . . . . 0.0 108.36 179.622 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' GLY . 34.3 ttpt -60.11 -38.14 82.09 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.137 -179.475 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.75 -22.02 54.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.186 -0.946 . . . . 0.0 111.377 -178.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -148.5 159.67 43.83 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.555 -1.34 . . . . 0.0 110.879 -178.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 mt -107.84 137.52 45.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.736 -0.602 . . . . 0.0 109.785 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 30' ' ' SER . 24.5 mtpp -97.64 154.12 17.77 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.5 ptpp? -49.43 -23.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.267 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.463 ' HG ' ' H ' ' A' ' 31' ' ' GLU . 95.0 p -76.3 -47.26 24.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.449 179.617 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' H ' ' HG ' ' A' ' 30' ' ' SER . 94.7 mt-10 -68.82 -35.69 77.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.356 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.7 tp -60.01 -40.27 88.65 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HZ2' ' CG ' ' A' ' 37' ' ' ASN . 63.7 tttm -60.13 -40.09 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.351 -0.843 . . . . 0.0 109.925 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.95 -40.02 91.69 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.29 -50.08 71.5 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.924 -1.11 . . . . 0.0 109.213 179.139 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.53 -45.93 81.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.497 -0.752 . . . . 0.0 111.976 -177.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' CG ' ' HZ2' ' A' ' 33' ' ' LYS . 1.9 m-80 -71.2 -40.02 71.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.85 -1.156 . . . . 0.0 111.773 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 3.6 m120 -100.28 -32.95 10.61 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.181 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -79.99 -15.77 56.57 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 119.929 -1.732 . . . . 0.0 108.941 -178.198 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt -116.18 61.06 0.72 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.624 ' HG ' ' ND1' ' A' ' 42' ' ' HIS . 95.2 p -50.11 -57.16 8.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.211 -0.931 . . . . 0.0 110.211 -179.009 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.624 ' ND1' ' HG ' ' A' ' 41' ' ' SER . 7.1 p-80 -139.65 0.83 1.86 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.148 -0.97 . . . . 0.0 109.765 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.07 -36.87 75.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.268 -0.895 . . . . 0.0 109.831 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -134.97 160.77 37.25 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.04 112.94 2.08 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.256 -0.977 . . . . 0.0 109.208 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.81 167.2 11.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.863 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 48.6 mt -106.5 129.86 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -104.21 -22.25 13.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.381 -0.824 . . . . 0.0 110.121 -178.024 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -117.9 139.97 50.38 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.347 -0.846 . . . . 0.0 109.699 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.715 HE21 ' H ' ' A' ' 51' ' ' GLU . 1.3 pm0 -66.65 -19.93 65.88 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.715 ' H ' HE21 ' A' ' 50' ' ' GLN . 0.6 OUTLIER -60.39 -39.92 89.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 -179.788 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.08 -39.25 79.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.63 -37.42 79.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.354 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 50.3 t0 -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.145 0.974 . . . . 0.0 109.4 -179.859 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.73 -39.97 84.21 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 122.084 0.945 . . . . 0.0 108.477 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.93 -27.46 37.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.591 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.34 -39.77 89.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.549 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -57.37 -39.92 77.03 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.234 -1.541 . . . . 0.0 107.759 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -76.96 -45.18 28.55 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.535 -0.728 . . . . 0.0 111.65 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -90.15 -16.09 30.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.724 -1.235 . . . . 0.0 110.956 -178.183 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.7 t0 -81.84 63.29 6.02 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 178.711 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -60.04 -40.01 87.91 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.085 -177.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -82.05 -6.62 59.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 0.0 109.2 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.02 37.6 95.21 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.49 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 36.5 p-10 -106.31 3.35 27.49 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.117 -1.225 . . . . 0.0 109.423 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 5.94 89.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 61.5 mt-10 -140.02 136.43 33.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.584 -0.95 . . . . 0.0 108.49 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.17 48.0 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.882 -1.136 . . . . 0.0 108.733 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.79 161.21 30.27 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.583 -0.698 . . . . 0.0 109.263 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.38 -34.4 47.71 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.088 -1.007 . . . . 0.0 108.423 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -70.03 -37.58 75.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.483 -0.76 . . . . 0.0 109.952 179.148 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.38 -43.39 86.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.445 -1.409 . . . . 0.0 109.084 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.06 -24.56 63.27 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.69 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -60.02 -39.09 84.65 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.99 -35.17 76.41 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.243 -0.91 . . . . 0.0 110.31 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -61.26 -39.96 92.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.911 . . . . 0.0 110.19 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -38.42 80.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.614 -0.679 . . . . 0.0 110.033 -178.688 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.438 ' H ' ' HG ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -64.01 -40.02 95.42 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.915 -1.114 . . . . 0.0 109.388 -179.177 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.4 mtp -68.85 -40.28 79.47 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.428 -0.795 . . . . 0.0 111.679 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.85 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.974 -1.079 . . . . 0.0 109.92 -179.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.15 -39.89 87.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -37.5 50.68 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.497 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.99 85.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.9 t -60.05 -38.53 83.06 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.491 -0.755 . . . . 0.0 109.674 -179.77 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.97 -40.0 87.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 109.033 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.54 -37.07 80.02 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 108.885 179.036 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -89.02 -24.29 22.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.564 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.7 t80 -90.16 63.95 5.97 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.734 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -83.41 99.59 10.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.1 -1.0 . . . . 0.0 109.109 -179.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -70.02 -13.49 62.25 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 . 179.609 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.628 ' H ' HE22 ' A' ' 16' ' ' GLN . 1.4 m 60.05 32.75 21.16 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.117 -0.99 . . . . 0.0 110.134 179.319 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -75.98 23.74 0.13 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 179.698 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' B' ' 1' ' ' SER . 54.1 tp -59.93 -26.65 66.12 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.08 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.54 -40.02 92.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.13 -0.981 . . . . 0.0 108.944 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.29 -40.04 81.93 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.893 -0.505 . . . . 0.0 110.793 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.91 74.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.0 111.328 -178.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.43 -39.98 89.24 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.041 -1.037 . . . . 0.0 109.668 -179.233 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.02 -37.19 78.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.89 88.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.783 -0.573 . . . . 0.0 111.484 -178.577 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.72 -1.238 . . . . 0.0 108.22 -178.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.04 -37.4 72.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.796 -0.565 . . . . 0.0 110.432 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.07 -43.51 98.67 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.93 -1.106 . . . . 0.0 111.648 -178.309 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.63 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 109.166 -178.816 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.31 -39.42 69.91 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.88 73.96 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.371 -0.831 . . . . 0.0 110.476 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.572 HE22 ' H ' ' A' ' 1' ' ' SER . 74.8 mt-30 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.874 -1.141 . . . . 0.0 111.357 -178.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -93.86 -24.9 17.57 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.827 -1.171 . . . . 0.0 112.22 -178.127 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.29 -39.96 88.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.796 -1.19 . . . . 0.0 109.311 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.28 9.13 68.05 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.825 -1.397 . . . . 0.0 111.416 -178.292 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.23 13.46 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.336 -0.853 . . . . 0.0 110.123 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 123.69 -20.72 7.26 Favored Glycine 0 N--CA 1.502 3.048 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.592 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 26' ' ' LYS . 21.1 m-20 -72.96 62.56 0.61 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.516 -1.579 . . . . 0.0 108.371 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' B' ' 22' ' ' GLY . 33.8 ttpt -60.07 -38.17 82.06 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.408 -0.807 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 -21.83 54.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.202 -0.936 . . . . 0.0 111.46 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.3 pttt -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.582 -1.324 . . . . 0.0 110.903 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.7 mt -107.87 137.5 45.77 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.801 -0.562 . . . . 0.0 109.82 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' B' ' 30' ' ' SER . 24.5 mtpp -97.6 154.15 17.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -49.45 -23.15 1.41 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 28' ' ' LYS . 87.3 p -76.36 -47.19 24.27 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 93.5 mt-10 -68.96 -35.67 77.03 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.361 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -40.31 88.84 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.15 -39.98 88.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 110.005 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.12 -40.02 92.19 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.905 . . . . 0.0 108.952 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.12 -49.96 72.34 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.917 -1.114 . . . . 0.0 109.258 178.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.83 -45.67 80.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 112.018 -177.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 47' ' ' ILE . 1.9 m-80 -71.31 -39.99 71.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.855 -1.153 . . . . 0.0 111.738 -178.563 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' B' ' 38' ' ' ASN . 3.5 m120 -100.46 -32.96 10.55 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -176.138 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -80.01 -15.49 57.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 119.927 -1.733 . . . . 0.0 109.015 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -116.23 60.83 0.72 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.046 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 98.4 p -50.04 -57.17 8.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.172 -178.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -139.67 0.74 1.85 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.182 -0.949 . . . . 0.0 109.743 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.93 -36.83 75.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tp -135.14 160.57 37.95 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -59.89 113.04 2.09 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.157 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.85 167.18 11.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 109.895 179.279 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.428 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 47.2 mt -106.42 129.84 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -104.12 -22.28 13.44 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.456 -0.777 . . . . 0.0 110.225 -178.122 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.78 140.0 50.3 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.447 -0.783 . . . . 0.0 109.749 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.684 HE21 ' N ' ' B' ' 51' ' ' GLU . 1.3 pm0 -66.75 -19.96 65.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.684 ' N ' HE21 ' B' ' 50' ' ' GLN . 0.6 OUTLIER -60.25 -40.04 88.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.829 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.04 -39.31 79.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.737 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.55 -37.39 79.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 50.3 t0 -61.75 -39.59 92.13 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 122.04 0.924 . . . . 0.0 109.335 -179.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.65 -39.99 84.57 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.09 -27.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.556 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.32 -39.75 89.5 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.463 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.36 -39.95 77.06 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 120.301 -1.499 . . . . 0.0 107.751 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -77.07 -44.88 29.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.497 -0.752 . . . . 0.0 111.721 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -90.33 -16.17 29.72 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.688 -1.257 . . . . 0.0 110.915 -178.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -81.79 63.26 5.97 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.722 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.94 -40.0 87.45 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.149 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -82.18 -6.55 59.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.2 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.47 95.0 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.987 -1.102 . . . . 0.0 110.533 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 36.6 p-10 -106.22 3.44 27.81 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -1.223 . . . . 0.0 109.419 179.812 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.03 5.81 89.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.7 mt-10 -139.98 136.41 33.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.969 . . . . 0.0 108.444 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.18 47.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.833 -1.167 . . . . 0.0 108.812 179.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 161.29 30.19 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.577 -0.702 . . . . 0.0 109.232 -179.276 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.48 -34.22 48.23 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.13 -0.981 . . . . 0.0 108.368 -179.325 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -70.08 -37.6 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.52 -0.737 . . . . 0.0 109.978 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 -43.46 85.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.479 -1.388 . . . . 0.0 109.036 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -70.0 -24.57 63.33 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.723 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.3 tpt -60.05 -39.05 84.62 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.16 76.4 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 110.331 -179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.18 -40.0 92.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.267 -0.896 . . . . 0.0 110.165 -179.512 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -38.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.609 -0.682 . . . . 0.0 110.097 -178.684 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.408 -179.325 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.9 mtp -69.12 -40.05 78.55 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.491 -0.756 . . . . 0.0 111.671 -178.412 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.99 -39.01 82.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.934 -1.104 . . . . 0.0 109.882 -179.436 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -37.4 50.62 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -179.495 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.78 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.8 t -59.97 -38.79 83.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.89 -40.05 87.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.119 -0.988 . . . . 0.0 109.065 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 108.885 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.14 -24.25 22.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.522 -0.736 . . . . 0.0 109.55 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.7 t80 -90.27 64.06 5.92 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -83.46 99.42 10.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -69.98 -13.53 62.28 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.733 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.826 . . . . 0.0 . 179.634 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -96.3 2.49 52.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 109.691 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.38 149.72 47.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 109.464 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.4 121.02 32.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.376 -0.827 . . . . 0.0 109.606 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 46.7 t -150.26 156.56 41.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.258 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.48 156.37 48.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.389 -0.82 . . . . 0.0 109.036 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -158.9 160.01 35.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.612 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . 0.476 ' C ' ' NE2' ' X' ' 100' ' ' GLN . . . 97.58 173.68 33.72 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 179.266 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' X' ' 99' ' ' GLY . 20.1 mp0 -127.33 170.41 12.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.859 . . . . 0.0 109.02 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 70.0 m -50.01 -25.33 3.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.093 -1.005 . . . . 0.0 108.433 179.172 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 69.0 p -50.27 -25.32 3.6 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.268 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -53.55 -28.35 31.25 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -60.04 -43.11 95.58 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.771 0.796 . . . . 0.0 109.091 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.379 -0.825 . . . . 0.0 108.89 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -59.49 -25.99 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.94 -40.05 87.63 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.537 ' CD2' ' HZ2' ' X' ' 111' ' ' LYS . 2.9 tp -65.38 -37.08 85.91 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.757 0.789 . . . . 0.0 109.437 178.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -51.2 -24.09 3.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.765 -1.209 . . . . 0.0 109.933 -179.366 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 5.7 p90 -39.77 -47.59 2.1 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.185 -0.947 . . . . 0.0 109.74 -178.402 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.612 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 33.8 pttt -69.97 -33.01 71.53 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.237 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.532 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.4 m -60.03 -37.59 80.23 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.612 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 . 179.962 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -96.4 2.62 52.81 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.353 -0.842 . . . . 0.0 109.648 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.25 149.63 47.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.206 -0.934 . . . . 0.0 109.448 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.38 121.13 32.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 109.544 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.2 t -150.38 156.5 41.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.35 -0.844 . . . . 0.0 109.293 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 156.42 48.21 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.371 -0.83 . . . . 0.0 109.057 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -158.92 159.93 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.353 -0.842 . . . . 0.0 109.729 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . 0.476 ' C ' ' NE2' ' Y' ' 100' ' ' GLN . . . 97.74 173.65 33.48 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.272 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' Y' ' 99' ' ' GLY . 20.2 mp0 -127.42 170.3 12.69 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.786 -0.832 . . . . 0.0 108.99 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m -50.02 -25.32 3.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 0.0 108.396 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 66.4 p -50.15 -25.34 3.46 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.202 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.415 ' HG ' ' N ' ' Y' ' 104' ' ' ARG . 79.0 p -53.53 -28.49 31.78 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.415 ' N ' ' HG ' ' Y' ' 103' ' ' SER . 60.2 mtt-85 -59.98 -42.96 95.33 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.435 -0.791 . . . . 0.0 109.15 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -60.18 -39.94 88.23 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.383 -0.823 . . . . 0.0 108.889 179.431 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -59.52 -25.93 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 178.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.521 ' CD2' ' NZ ' ' Y' ' 111' ' ' LYS . 2.7 tp -65.47 -36.82 85.03 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 121.85 0.833 . . . . 0.0 109.504 178.783 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -51.51 -23.93 4.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.702 -1.249 . . . . 0.0 109.909 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 5.8 p90 -39.87 -47.35 2.15 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.217 -0.927 . . . . 0.0 109.767 -178.484 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.614 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 32.0 pttt -70.08 -33.2 71.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.53 ' N ' ' O ' ' Y' ' 109' ' ' MET . 49.1 m -60.06 -36.95 78.45 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.578 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.48 -0.763 . . . . 0.0 . 179.907 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.3 t 57.86 29.13 17.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.303 -0.873 . . . . 0.0 109.675 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.13 12.19 1.24 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.421 -0.799 . . . . 0.0 108.889 179.276 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -60.03 -33.68 72.34 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.592 -0.693 . . . . 0.0 110.498 -178.415 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.11 -40.04 88.29 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.76 -1.212 . . . . 0.0 110.562 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -68.01 -39.63 83.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.975 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.05 89.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 0.0 111.172 -178.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.6 mtt -65.02 -39.95 94.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.84 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 121.377 0.608 . . . . 0.0 110.334 -179.061 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -40.04 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.418 -0.801 . . . . 0.0 111.682 -177.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.918 -1.114 . . . . 0.0 108.398 -178.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.56 -39.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.697 -0.627 . . . . 0.0 110.375 179.228 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.706 -1.246 . . . . 0.0 111.259 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -34.45 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.019 -1.051 . . . . 0.0 110.26 -179.154 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' OG ' ' A' ' 18' ' ' SER . 87.4 t80 -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.484 -1.385 . . . . 0.0 107.997 -179.548 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -77.99 -22.1 49.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 179.193 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -53.09 -45.88 68.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 110.5 -178.148 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 16.5 p90 -116.19 -25.15 7.69 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.598 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 24.1 m -62.68 -47.12 85.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.649 -1.282 . . . . 0.0 110.844 -178.85 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.16 18.58 3.3 Favored Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.052 -1.071 . . . . 0.0 110.922 -178.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.675 ' NH2' ' HG ' ' A' ' 30' ' ' SER . 26.2 ptt180 -60.11 -42.62 95.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.81 -1.406 . . . . 0.0 110.638 -179.451 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -112.56 -38.75 4.54 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.185 -0.947 . . . . 0.0 109.607 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 156.17 -6.55 0.23 Allowed Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -71.82 52.33 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.464 -1.609 . . . . 0.0 108.106 179.709 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' GLY . 32.9 ttpt -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.21 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.484 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 8.3 p80 -88.14 -4.97 58.68 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 111.057 -178.808 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 24.7 pttm -149.22 150.27 32.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.883 -1.135 . . . . 0.0 108.92 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -113.55 128.38 56.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 -179.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.9 mttt -95.06 149.79 20.88 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.003 -1.06 . . . . 0.0 109.051 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -48.51 -21.5 0.57 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.675 ' HG ' ' NH2' ' A' ' 20' ' ' ARG . 41.2 t -70.93 -53.7 14.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.595 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.7 -32.41 74.07 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.516 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.03 -40.14 88.31 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' A' ' 47' ' ' ILE . 43.6 tptt -62.55 -40.07 95.64 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.585 -0.697 . . . . 0.0 110.123 179.033 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.47 -39.93 95.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 110.472 -178.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.94 -44.84 72.22 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.618 -1.301 . . . . 0.0 109.097 179.641 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -71.9 -41.07 69.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 112.369 -177.121 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.18 -31.23 27.23 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.3 -1.5 . . . . 0.0 111.516 -178.174 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.92 -39.29 8.24 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.434 -0.791 . . . . 0.0 112.97 -177.545 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -90.04 -22.32 21.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.453 -1.404 . . . . 0.0 110.387 -177.794 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 mt -114.5 47.5 1.23 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.4 -0.812 . . . . 0.0 108.948 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -64.73 -41.24 96.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.65 -13.05 2.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.127 -0.983 . . . . 0.0 110.351 -178.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -70.04 -38.09 75.75 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.035 -1.04 . . . . 0.0 109.891 -179.131 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.7 tp -130.39 -144.6 0.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.345 -0.847 . . . . 0.0 109.609 -179.746 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -93.08 107.56 19.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.554 -0.716 . . . . 0.0 109.29 -179.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -67.22 133.63 50.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 179.036 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.495 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . 66.4 mt -89.44 139.88 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.75 -1.219 . . . . 0.0 108.835 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.31 -24.56 10.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.815 -0.553 . . . . 0.0 110.773 -177.78 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -119.23 145.52 45.99 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.427 -0.796 . . . . 0.0 110.211 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.99 -21.52 64.14 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.702 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -63.31 -39.79 95.54 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.38 -0.825 . . . . 0.0 110.077 -179.703 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -61.3 -40.0 84.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -61.6 -39.46 91.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.931 -179.422 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 122.01 0.91 . . . . 0.0 108.856 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.22 -33.15 61.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.402 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.616 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.9 mmm -70.99 -28.89 64.76 Favored 'General case' 0 C--O 1.198 -1.65 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.719 179.613 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.55 -39.8 81.23 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -74.71 -44.61 49.17 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.213 178.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.7 mt -89.25 -14.91 34.82 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.893 -1.129 . . . . 0.0 111.022 -178.125 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.616 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.8 t0 -81.19 62.61 5.2 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 178.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 77.5 mt-10 -59.99 -39.72 86.71 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.623 -178.066 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -80.95 -7.35 59.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 36.93 92.14 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.84 178.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 40.1 p-10 -107.36 2.28 24.33 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.038 -1.272 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.504 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.89 1.59 89.76 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.39 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.8 mt-10 -134.21 136.46 43.7 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.91 124.78 45.6 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.85 -1.156 . . . . 0.0 108.649 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -63.3 160.48 15.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.179 -0.951 . . . . 0.0 109.183 -179.072 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.8 t80 -48.14 -38.64 18.38 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.144 -0.972 . . . . 0.0 108.79 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.96 -39.6 75.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.705 -0.622 . . . . 0.0 110.219 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.1 mt-10 -62.81 -46.09 89.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 109.544 -179.405 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.47 -25.77 63.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 108.501 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.7 tpt -59.98 -39.17 84.77 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.049 -179.362 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.919 -1.113 . . . . 0.0 109.715 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.739 -0.6 . . . . 0.0 109.701 -179.224 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -66.14 -42.6 88.87 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.32 -178.521 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -69.95 -40.32 75.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.373 -1.454 . . . . 0.0 111.387 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.53 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.206 -178.624 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.93 -40.09 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -35.77 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.344 -0.847 . . . . 0.0 109.073 178.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.99 -36.25 76.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.0 109.669 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.88 -1.137 . . . . 0.0 108.992 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.16 -40.11 96.6 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.288 -0.883 . . . . 0.0 109.168 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -77.46 -45.83 24.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.022 -179.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.3 m-30 -95.9 65.26 2.51 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.355 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -84.2 101.85 12.18 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.443 -0.785 . . . . 0.0 109.287 -179.456 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -70.01 -18.94 63.34 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 . -179.608 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 99.8 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.293 0.568 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.447 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.2 t 58.04 28.71 16.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.24 -0.913 . . . . 0.0 109.733 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.77 12.12 1.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 108.924 179.228 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -60.01 -33.6 72.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.538 -0.726 . . . . 0.0 110.503 -178.319 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.03 -40.07 88.07 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.22 . . . . 0.0 110.574 -179.551 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.2 -39.61 82.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.248 -0.908 . . . . 0.0 109.92 -179.13 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.94 89.36 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.357 -0.839 . . . . 0.0 111.148 -178.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -65.06 -39.93 93.96 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.03 -1.044 . . . . 0.0 110.211 -179.07 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.91 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-O 121.411 0.624 . . . . 0.0 110.396 -179.056 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.98 75.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.421 -0.8 . . . . 0.0 111.608 -177.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -39.99 87.55 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.864 -1.147 . . . . 0.0 108.326 -179.017 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.47 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.309 179.212 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.32 -40.03 96.19 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.719 -1.238 . . . . 0.0 111.259 -178.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -34.57 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.974 -1.079 . . . . 0.0 110.272 -179.084 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 87.4 t80 -59.95 -39.97 87.41 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.539 -1.35 . . . . 0.0 107.992 -179.518 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -78.17 -22.12 49.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.43 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -53.08 -45.71 68.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.148 -0.97 . . . . 0.0 110.488 -178.182 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 16.1 p90 -116.31 -25.11 7.65 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 121.219 -0.926 . . . . 0.0 111.588 -179.027 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 23.0 m -62.73 -47.18 84.69 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.688 -1.257 . . . . 0.0 110.822 -178.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.02 18.55 3.21 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 120.066 -1.064 . . . . 0.0 110.948 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.551 ' NH2' ' HG ' ' B' ' 30' ' ' SER . 26.1 ptt180 -60.11 -42.46 94.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.815 -1.403 . . . . 0.0 110.725 -179.458 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -112.71 -39.22 4.36 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.078 -1.014 . . . . 0.0 109.537 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 156.7 -6.57 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.759 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -71.67 51.95 0.2 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.509 -1.583 . . . . 0.0 108.198 179.746 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 22' ' ' GLY . 32.6 ttpt -66.54 -40.01 88.86 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 110.522 -179.275 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.484 ' H ' ' CD2' ' B' ' 25' ' ' HIS . 8.4 p80 -88.32 -4.74 58.63 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.886 -1.133 . . . . 0.0 111.073 -178.771 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 23' ' ' ASP . 24.6 pttm -149.36 150.2 32.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.838 -1.164 . . . . 0.0 108.869 179.137 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tp -113.52 128.52 56.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.293 -0.879 . . . . 0.0 109.134 -179.063 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' C ' ' N ' ' B' ' 30' ' ' SER . 96.2 mttt -95.1 149.47 21.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.068 179.799 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -48.36 -21.43 0.53 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.551 ' HG ' ' NH2' ' B' ' 20' ' ' ARG . 40.6 t -70.97 -53.85 13.41 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.586 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -32.65 74.36 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.04 -39.98 87.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.578 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' B' ' 47' ' ' ILE . 42.9 tptt -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.577 -0.702 . . . . 0.0 110.087 178.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 110.471 -178.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.85 -45.12 71.89 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.483 -1.385 . . . . 0.0 109.112 179.617 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -71.69 -40.89 70.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 112.419 -177.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.38 -31.06 26.92 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.201 -1.562 . . . . 0.0 111.531 -178.186 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -39.23 8.23 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.454 -0.778 . . . . 0.0 112.98 -177.563 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.16 -22.21 21.83 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.38 -1.45 . . . . 0.0 110.38 -177.782 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 mt -114.6 47.73 1.21 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.407 -0.808 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -65.24 -40.67 94.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 111.021 -179.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.94 -13.38 2.49 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.189 -0.944 . . . . 0.0 110.343 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -69.79 -38.07 76.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.024 -1.048 . . . . 0.0 109.843 -179.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.469 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.7 tp -130.41 -144.63 0.27 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.356 -0.84 . . . . 0.0 109.646 -179.704 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.469 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -93.18 107.52 19.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.489 -0.757 . . . . 0.0 109.298 -179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.26 133.67 50.14 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.12 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.501 ' O ' ' NZ ' ' B' ' 33' ' ' LYS . 64.7 mt -89.36 139.71 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.781 -1.2 . . . . 0.0 108.835 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.414 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.09 -24.8 10.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.868 -0.52 . . . . 0.0 110.718 -177.746 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.456 -0.778 . . . . 0.0 110.33 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.56 -21.94 64.51 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.572 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.412 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -62.96 -39.95 96.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.411 -0.806 . . . . 0.0 110.076 -179.706 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.92 -40.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 36.5 t -61.37 -39.96 84.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.076 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.5 t0 -61.59 -39.54 91.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.507 -0.745 . . . . 0.0 109.89 -179.507 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.25 -40.05 89.91 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 122.039 0.923 . . . . 0.0 108.829 -179.261 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.29 -33.25 61.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.605 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.1 mmm -70.65 -29.03 65.27 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.692 179.527 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.7 -39.61 81.25 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.6 m -75.0 -44.42 48.25 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.116 178.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 41.0 mt -89.23 -14.98 34.72 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.937 -1.102 . . . . 0.0 111.023 -178.157 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -81.18 62.6 5.19 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 77.2 mt-10 -60.05 -39.85 87.37 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.612 -178.059 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -80.74 -7.48 59.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.281 179.301 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.89 91.96 Favored Glycine 0 N--CA 1.498 2.797 0 C-N-CA 119.965 -1.112 . . . . 0.0 110.835 178.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 40.2 p-10 -107.38 2.5 24.44 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.05 -1.265 . . . . 0.0 110.202 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.504 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.47 1.98 89.14 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.469 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.2 mt-10 -134.56 136.19 42.83 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.65 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 124.75 45.24 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.858 -1.151 . . . . 0.0 108.678 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 51.5 t0 -63.36 160.3 16.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.246 -0.909 . . . . 0.0 109.231 -179.104 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 t80 -48.03 -38.52 17.39 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.167 -0.958 . . . . 0.0 108.815 -179.89 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -70.0 -39.82 75.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.594 -0.691 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.1 mt-10 -62.56 -46.22 89.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.744 -1.223 . . . . 0.0 109.619 -179.473 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.39 -25.82 63.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.205 -0.934 . . . . 0.0 108.532 178.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.4 tpt -59.99 -39.22 84.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -69.75 -30.77 68.44 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.118 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.921 -1.112 . . . . 0.0 109.81 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -37.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 CA-C-O 121.357 0.599 . . . . 0.0 109.645 -179.1 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 0.8 OUTLIER -65.98 -42.59 89.64 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.312 -178.593 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.367 -1.458 . . . . 0.0 111.431 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.32 -36.18 76.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 121.148 -0.97 . . . . 0.0 109.299 -178.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -35.74 65.35 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 109.047 178.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.94 -36.44 77.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 109.603 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.96 -40.23 88.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.81 -1.182 . . . . 0.0 108.871 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.91 -40.29 97.13 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.231 -0.918 . . . . 0.0 109.118 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.29 -46.0 24.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 110.021 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 88' ' ' PHE . 1.3 m-30 -95.81 65.51 2.57 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -84.56 101.88 12.44 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.221 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -69.99 -18.73 63.35 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.651 -0.655 . . . . 0.0 109.296 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.331 -0.855 . . . . 0.0 . -179.669 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.192 0.52 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 50.2 40.0 21.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 74.0 mt -72.21 144.79 48.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.423 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -104.52 127.85 52.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.391 -0.818 . . . . 0.0 109.795 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 47.7 t -74.44 142.69 44.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.357 -0.839 . . . . 0.0 109.344 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -83.63 127.27 33.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 109.547 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.53 -40.0 89.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.444 -0.785 . . . . 0.0 109.706 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.93 -154.15 0.1 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 -179.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . 0.497 ' CD ' ' H ' ' X' ' 100' ' ' GLN . 1.6 pm0 -106.1 140.36 39.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.496 -1.002 . . . . 0.0 109.574 -179.725 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m -66.62 -26.98 67.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.098 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.591 ' HG1' ' HD1' ' X' ' 105' ' ' HIS . 15.0 t -47.35 -26.69 1.36 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 109.124 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -47.93 -24.69 1.1 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 108.85 179.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -60.01 -39.91 87.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.564 -0.71 . . . . 0.0 109.417 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.4 p-80 -59.33 -33.92 71.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.775 -1.203 . . . . 0.0 108.76 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.592 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 52.6 tttm -59.78 -33.32 71.54 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.375 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttp -56.07 -38.62 70.91 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -73.55 -24.79 60.16 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.423 0.63 . . . . 0.0 110.472 178.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.73 -24.65 64.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.153 -1.592 . . . . 0.0 109.682 -179.77 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.629 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -48.74 -31.36 6.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.472 -1.392 . . . . 0.0 109.415 -179.66 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.629 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -69.62 -40.03 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.608 -1.308 . . . . 0.0 108.138 176.778 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' X' ' 109' ' ' MET . 63.4 p -60.17 -33.43 72.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.786 -179.655 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.218 0.533 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 50.25 40.01 21.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.155 -0.966 . . . . 0.0 109.25 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.11 144.86 48.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 0.0 109.483 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -104.57 127.88 52.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.4 -0.813 . . . . 0.0 109.805 -179.615 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -74.44 142.69 44.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 0.0 109.29 179.67 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -83.59 127.5 33.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.17 -0.956 . . . . 0.0 109.477 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.84 -40.03 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.415 -0.803 . . . . 0.0 109.676 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.76 -153.94 0.09 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.48 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . 0.493 ' CD ' ' H ' ' Y' ' 100' ' ' GLN . 1.6 pm0 -106.23 140.05 39.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.529 -0.983 . . . . 0.0 109.639 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 53.1 m -66.25 -27.33 67.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.074 -179.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.559 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 15.2 t -47.22 -26.72 1.26 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.153 -0.967 . . . . 0.0 109.144 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 91.3 p -47.7 -24.64 0.98 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 108.776 178.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -59.98 -39.99 87.61 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.582 -0.699 . . . . 0.0 109.662 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.589 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.4 p-80 -59.5 -33.78 71.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.774 -1.204 . . . . 0.0 108.769 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.589 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.7 tttm -59.82 -33.15 71.37 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.347 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 62.2 tttp -56.31 -38.59 71.49 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.09 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.1 tp -73.5 -24.86 60.23 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.442 0.639 . . . . 0.0 110.515 178.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.84 -24.65 64.38 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.195 -1.566 . . . . 0.0 109.667 -179.619 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.628 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -48.77 -31.09 6.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.489 -1.382 . . . . 0.0 109.399 -179.594 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.628 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.546 -1.346 . . . . 0.0 108.218 176.759 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 61.9 p -60.01 -32.79 71.2 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.861 -179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.402 -0.811 . . . . 0.0 . 179.725 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m 56.8 26.85 11.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -77.61 -11.89 59.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.605 -0.684 . . . . 0.0 110.494 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 1.6 pt? -47.27 -18.37 0.1 Allowed 'General case' 0 C--O 1.198 -1.606 0 O-C-N 120.788 -1.195 . . . . 0.0 110.289 -179.014 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 2' ' ' GLU . 99.0 mt-10 -64.55 -39.68 94.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.34 -1.475 . . . . 0.0 109.278 -179.626 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -77.33 -36.91 53.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.98 79.54 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.571 -0.706 . . . . 0.0 110.479 -178.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.506 -0.746 . . . . 0.0 110.114 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.3 -38.78 83.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 121.71 0.767 . . . . 0.0 109.421 -179.554 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.95 81.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.688 -0.632 . . . . 0.0 111.621 -178.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.49 -40.09 85.88 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -178.394 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -68.17 -39.99 82.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.206 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.56 -50.23 73.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.022 -1.049 . . . . 0.0 111.553 -178.487 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -39.75 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 110.018 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -55.21 -40.44 70.8 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.416 -0.803 . . . . 0.0 109.296 -179.446 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.61 -21.12 48.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.397 -0.814 . . . . 0.0 111.213 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -58.18 -42.44 86.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.776 -1.203 . . . . 0.0 111.255 -177.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 15.4 p90 -114.65 -25.46 8.28 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.069 -1.019 . . . . 0.0 111.367 -178.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.472 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.6 m -60.88 -41.35 95.83 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.578 -1.327 . . . . 0.0 110.084 -179.284 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.77 85.92 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.377 -1.392 . . . . 0.0 110.173 -179.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -61.06 -42.94 99.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.022 -1.281 . . . . 0.0 109.517 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -79.63 -78.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 0.0 110.075 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.42 -37.72 0.03 OUTLIER Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.181 -1.485 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -81.83 107.58 14.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.694 -1.474 . . . . 0.0 109.475 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -85.98 -26.49 25.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.497 -0.752 . . . . 0.0 109.566 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -100.02 -2.63 33.96 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.236 -0.915 . . . . 0.0 110.604 -178.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -139.93 140.1 36.3 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.033 -1.042 . . . . 0.0 109.011 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -106.27 134.36 49.52 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.093 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 30' ' ' SER . 90.8 mttt -101.17 152.44 20.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 108.637 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -49.92 -21.92 1.35 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.644 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.435 ' HG ' ' H ' ' A' ' 31' ' ' GLU . 78.2 p -76.64 -47.16 23.08 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.216 -0.593 . . . . 0.0 109.794 179.695 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' OE2' ' O ' ' A' ' 18' ' ' SER . 49.4 mt-10 -67.93 -36.12 79.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.866 -1.146 . . . . 0.0 108.267 179.055 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.76 -41.25 90.6 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.446 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.07 -39.83 95.88 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.573 -0.704 . . . . 0.0 109.534 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.17 -39.64 87.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 110.48 -178.628 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -42.84 73.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.523 -1.361 . . . . 0.0 108.93 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.93 -43.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.414 -0.804 . . . . 0.0 111.725 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 2.0 m-20 -81.29 -34.75 31.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.466 -1.396 . . . . 0.0 112.537 -178.059 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' N ' HD21 ' A' ' 38' ' ' ASN . 2.8 m120 -100.18 -36.83 9.17 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.017 -1.052 . . . . 0.0 113.276 -176.817 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.46 -15.3 43.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.475 -1.391 . . . . 0.0 110.668 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.3 mt -111.91 54.83 0.69 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -57.1 -42.31 80.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.052 -1.03 . . . . 0.0 109.604 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -138.1 -11.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.025 -1.047 . . . . 0.0 110.653 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.06 -21.64 63.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.733 -1.23 . . . . 0.0 110.058 -179.157 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -151.9 167.28 28.84 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.818 -1.176 . . . . 0.0 107.997 178.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 13.9 pt-20 -69.43 118.0 11.75 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.791 -1.193 . . . . 0.0 109.083 179.872 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 37' ' ' ASN . 33.3 mt-10 -65.89 154.38 39.41 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 60.7 mt -99.3 139.19 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.254 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -110.17 -24.42 10.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.192 -0.943 . . . . 0.0 109.916 -178.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 41.8 mt-10 -113.14 140.61 47.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.51 -0.744 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -19.51 63.87 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.715 179.182 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.7 pt-20 -60.58 -40.42 91.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.152 -0.968 . . . . 0.0 109.662 -179.104 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 57.3 t -60.27 -39.16 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.8 -38.5 82.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.705 -0.622 . . . . 0.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.87 -38.56 89.13 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.499 -0.751 . . . . 0.0 109.84 -179.124 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -67.25 -39.9 86.18 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -66.76 -32.6 58.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 179.044 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.6 mmm -70.02 -27.37 64.62 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.836 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.79 -39.87 78.53 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -76.31 -42.5 44.95 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.124 178.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -90.11 -14.81 32.93 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.782 -1.199 . . . . 0.0 111.052 -178.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.63 ' N ' ' O ' ' A' ' 57' ' ' MET . 64.0 t0 -81.59 59.78 4.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 72.0 mt-10 -59.63 -39.1 83.2 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.106 -178.047 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 65' ' ' ASP . 58.7 p30 -80.54 -5.99 57.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.925 -1.109 . . . . 0.0 108.833 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 64.27 35.98 92.64 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.86 178.667 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.7 p-10 -107.02 0.62 23.77 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.009 -1.289 . . . . 0.0 110.062 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.71 6.13 89.56 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 -179.244 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 70.2 mt-10 -139.41 136.52 34.78 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.674 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.423 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -100.18 121.26 41.16 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.728 -1.232 . . . . 0.0 107.769 -179.932 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.4 t0 -59.92 163.69 4.43 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.271 -0.893 . . . . 0.0 108.684 -178.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.4 t80 -48.26 -40.01 23.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.665 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.9 -46.43 89.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.689 -0.632 . . . . 0.0 110.448 178.678 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 42.6 mt-10 -62.64 -40.03 95.72 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 110.967 -177.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -69.83 -32.9 71.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.65 -1.281 . . . . 0.0 109.163 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.485 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 72.9 mmm -60.14 -38.38 82.92 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.331 0.586 . . . . 0.0 110.36 -179.09 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.415 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.22 -34.74 78.12 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.781 -1.199 . . . . 0.0 110.154 -178.825 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.32 -26.02 66.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.392 -0.817 . . . . 0.0 110.119 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.09 -32.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.081 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 -178.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 11.3 p -67.67 -41.01 84.4 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.927 -178.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ptm -73.49 -42.13 62.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 110.948 -179.458 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.09 -37.68 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.675 -1.266 . . . . 0.0 109.428 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' CYS . 99.0 m -59.39 -39.57 83.81 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -48.58 -40.27 26.7 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.11 -34.46 78.47 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.1 t -59.99 -38.09 81.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 179.462 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -60.0 -40.35 88.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.064 -1.022 . . . . 0.0 108.633 -179.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.03 -39.67 86.7 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.29 -24.4 29.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.651 -0.656 . . . . 0.0 110.228 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 84' ' ' CYS . 57.1 t80 -60.16 -38.61 83.71 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -179.576 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.62 94.02 3.14 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.681 0.753 . . . . 0.0 109.428 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.429 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 7.9 p80 -69.99 -24.74 63.36 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.721 -0.612 . . . . 0.0 109.794 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.297 -0.877 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m 57.8 27.07 13.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 0.0 108.839 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.4 mt-10 -77.09 -12.96 60.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.755 -0.59 . . . . 0.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 1.6 pt? -46.88 -18.27 0.07 Allowed 'General case' 0 C--O 1.199 -1.58 0 O-C-N 120.771 -1.206 . . . . 0.0 110.418 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 2' ' ' GLU . 98.9 mt-10 -65.04 -39.53 93.47 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.46 -1.4 . . . . 0.0 109.336 -179.584 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -77.12 -36.82 55.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.36 -46.9 81.4 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.596 -0.69 . . . . 0.0 110.744 -178.9 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.8 mtt -60.85 -40.8 94.24 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.382 -0.824 . . . . 0.0 109.914 -179.349 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.7 -38.59 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-O 121.924 0.868 . . . . 0.0 109.492 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.77 80.18 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.727 -0.608 . . . . 0.0 111.768 -178.227 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.0 -40.09 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.621 -178.386 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.54 -40.15 83.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.302 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.1 -50.12 74.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.04 . . . . 0.0 111.092 -178.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -40.0 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.55 -0.719 . . . . 0.0 110.038 -179.097 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -55.0 -40.07 69.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.262 -179.409 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -78.91 -20.87 48.33 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.304 -0.872 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -58.59 -42.42 88.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.652 -1.28 . . . . 0.0 111.319 -177.482 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.2 p90 -114.7 -25.06 8.43 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 121.061 -1.024 . . . . 0.0 111.411 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 50.6 m -61.37 -41.32 96.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.655 -1.278 . . . . 0.0 110.173 -179.188 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.71 -9.91 86.15 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 119.231 -1.462 . . . . 0.0 109.973 -179.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.16 -42.42 94.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -1.225 . . . . 0.0 109.321 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -80.28 -78.27 0.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.339 -178.7 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.74 -37.24 0.03 OUTLIER Glycine 0 N--CA 1.487 2.087 0 C-N-CA 119.268 -1.444 . . . . 0.0 110.524 -179.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.99 106.65 14.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.662 -1.493 . . . . 0.0 109.602 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -84.87 -26.51 27.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.66 -0.65 . . . . 0.0 109.77 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -100.1 -2.75 33.42 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 -178.894 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -140.22 140.1 35.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.078 -1.014 . . . . 0.0 109.313 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -105.85 135.13 47.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' B' ' 30' ' ' SER . 86.2 mttt -102.02 152.4 21.01 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.64 -22.84 1.44 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' C ' ' B' ' 28' ' ' LYS . 81.3 p -76.41 -46.15 28.45 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.938 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 18' ' ' SER . 50.1 mt-10 -68.49 -36.88 79.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.016 -1.053 . . . . 0.0 108.3 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.28 -41.75 89.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.264 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.49 -39.03 92.18 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.437 -0.789 . . . . 0.0 109.449 178.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.53 -39.36 87.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.303 -0.873 . . . . 0.0 110.311 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -43.49 72.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.682 -1.261 . . . . 0.0 109.014 179.848 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.6 mt -69.5 -44.03 80.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 O-C-N 121.437 -0.789 . . . . 0.0 111.741 -177.439 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 2.0 m-20 -80.89 -34.27 33.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.811 -1.181 . . . . 0.0 112.64 -177.866 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.507 HD21 ' N ' ' B' ' 38' ' ' ASN . 2.5 m120 -100.48 -38.34 8.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.077 -1.015 . . . . 0.0 113.151 -176.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -84.19 -15.25 47.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.5 -1.375 . . . . 0.0 110.887 -177.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -111.63 54.69 0.68 Allowed 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.075 -1.016 . . . . 0.0 109.627 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -57.17 -42.22 80.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.034 -1.041 . . . . 0.0 109.501 -179.641 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -137.71 -11.46 1.56 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.986 -1.071 . . . . 0.0 110.58 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.08 -22.39 63.05 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.904 -1.123 . . . . 0.0 109.936 -179.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -151.93 166.47 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.998 -1.064 . . . . 0.0 108.32 178.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 15.4 pt-20 -68.84 118.4 11.75 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.678 -1.264 . . . . 0.0 109.124 179.779 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 33.0 mt-10 -65.96 153.75 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.239 -0.913 . . . . 0.0 109.637 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.512 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 60.8 mt -98.88 138.92 21.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.253 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.412 ' HZ2' ' HB2' ' B' ' 46' ' ' GLU . 25.5 mmtt -110.15 -23.02 11.49 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.142 -0.974 . . . . 0.0 110.151 -178.228 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 41.8 mt-10 -114.68 141.01 48.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.495 -0.753 . . . . 0.0 109.072 179.89 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -19.4 63.78 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.493 -0.883 . . . . 0.0 108.924 179.261 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 9.1 pt-20 -60.42 -40.55 91.43 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.737 -179.212 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 66.4 t -59.91 -39.86 81.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.606 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.45 -39.14 84.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.7 -0.625 . . . . 0.0 110.181 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -65.11 -38.81 91.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.596 0.712 . . . . 0.0 109.911 -179.171 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.27 -40.11 86.13 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.73 -32.54 58.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.024 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.651 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.0 mmm -69.97 -27.71 64.94 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.497 -0.881 . . . . 0.0 108.729 179.111 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.53 -39.77 77.32 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 178.176 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.6 m -75.95 -43.46 44.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.816 -0.552 . . . . 0.0 110.761 178.724 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.27 -14.85 34.91 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.055 -1.028 . . . . 0.0 111.202 -177.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -82.06 60.06 4.69 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 179.319 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 65.7 mt-10 -59.54 -39.47 84.05 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.993 -177.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -80.65 -6.71 58.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.804 -1.185 . . . . 0.0 109.015 179.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.93 36.62 93.29 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.976 178.812 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.11 1.49 24.22 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.098 -1.237 . . . . 0.0 109.914 179.822 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.13 6.5 89.15 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 68.7 mt-10 -139.73 136.67 34.42 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.769 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -99.76 121.81 41.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.724 -1.235 . . . . 0.0 108.055 -179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 43.2 t0 -59.63 164.53 3.52 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.172 -0.955 . . . . 0.0 108.797 -179.443 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.4 t80 -49.32 -40.17 34.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.82 -46.74 88.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.472 0.653 . . . . 0.0 110.457 178.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 42.0 mt-10 -61.85 -40.8 96.59 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.049 -1.032 . . . . 0.0 110.98 -178.313 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -69.45 -32.6 71.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.793 -1.192 . . . . 0.0 109.078 179.286 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.5 mmm -60.4 -39.37 87.08 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.596 -0.69 . . . . 0.0 110.361 -179.231 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.409 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.0 -35.43 80.56 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.67 -1.269 . . . . 0.0 110.047 -178.845 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.16 -25.43 65.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 -179.655 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -77.57 -33.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.091 -1.006 . . . . 0.0 109.465 -178.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 10.7 p -66.97 -40.77 87.53 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.805 -178.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.21 -41.64 61.06 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.857 -1.152 . . . . 0.0 111.048 -179.387 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.3 -37.6 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.562 -1.336 . . . . 0.0 109.267 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' ' N ' ' B' ' 84' ' ' CYS . 97.0 m -59.44 -39.87 84.95 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -48.37 -39.69 23.11 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.609 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.06 79.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' B' ' 88' ' ' PHE . 8.7 t -59.92 -38.48 82.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.431 -0.793 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.99 -39.98 87.57 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.954 -1.091 . . . . 0.0 108.687 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.34 -39.03 85.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -84.77 -24.53 28.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.815 . . . . 0.0 110.017 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.8 t80 -59.83 -38.86 83.22 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.826 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -76.21 94.52 3.54 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.204 -179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.42 ' H ' ' CD2' ' B' ' 90' ' ' HIS . 7.8 p80 -70.0 -24.33 63.29 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.821 -0.549 . . . . 0.0 109.668 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.892 . . . . 0.0 . -179.781 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -60.99 -40.1 92.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.637 -0.664 . . . . 0.0 109.429 179.589 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 mp 52.29 40.79 29.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.505 -0.747 . . . . 0.0 109.091 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 51.41 40.04 25.69 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -80.55 161.56 24.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.441 -0.787 . . . . 0.0 109.498 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -86.88 145.72 26.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.318 -0.864 . . . . 0.0 108.925 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.57 -39.9 89.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.135 -0.978 . . . . 0.0 108.919 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.45 -171.4 31.01 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -139.94 176.51 8.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -1.014 . . . . 0.0 109.247 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 69.4 m -54.82 -32.94 61.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.45 -0.781 . . . . 0.0 109.563 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.574 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.0 t -46.2 -26.27 0.75 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.997 -1.064 . . . . 0.0 109.399 -179.756 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -49.16 -24.84 1.85 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 108.644 178.517 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.48 -35.91 63.57 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.49 -0.756 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' X' ' 102' ' ' THR . 8.0 p-80 -57.5 -35.8 70.7 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.556 -1.34 . . . . 0.0 108.602 179.683 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.4 tttt -59.59 -34.52 72.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.603 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -55.4 -40.06 70.95 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.781 -1.199 . . . . 0.0 107.909 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . 0.435 HD12 ' HZ2' ' X' ' 111' ' ' LYS . 8.1 tp -73.06 -25.21 60.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.641 -0.662 . . . . 0.0 110.39 179.632 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.24 -24.37 54.26 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.512 -1.367 . . . . 0.0 109.382 -179.485 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' X' ' 109' ' ' MET . 1.7 p90 -41.44 -39.7 1.57 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.389 -0.819 . . . . 0.0 109.586 -179.085 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.435 ' HZ2' HD12 ' X' ' 108' ' ' LEU . 14.6 mtmt -71.46 -43.47 66.58 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.856 -1.153 . . . . 0.0 108.12 176.736 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 0.7 OUTLIER -66.31 -27.2 67.73 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.825 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' X' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.406 0 O-C-N 121.602 -0.686 . . . . 0.0 . 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.425 0.631 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -62.32 -40.12 95.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 109.194 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mp 53.05 40.01 30.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.444 -0.785 . . . . 0.0 109.178 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 51.85 40.07 27.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.158 -0.964 . . . . 0.0 109.816 179.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 94.8 p -80.42 161.55 24.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.421 -0.8 . . . . 0.0 109.368 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -87.3 145.84 26.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.198 -0.939 . . . . 0.0 109.081 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.27 -40.13 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.189 -0.944 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.78 -171.71 31.21 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -139.93 176.06 9.06 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.427 -1.043 . . . . 0.0 109.206 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.4 ' O ' ' C ' ' Y' ' 102' ' ' THR . 61.1 m -54.7 -32.48 59.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.344 -0.847 . . . . 0.0 109.554 179.715 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.555 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.1 t -46.17 -26.12 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.959 -1.088 . . . . 0.0 109.731 -179.586 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 62.1 m -49.58 -24.69 2.27 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -53.93 -36.3 62.63 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.1 p-80 -57.03 -36.76 70.84 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.681 -1.262 . . . . 0.0 108.743 179.489 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.596 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.5 tttt -58.77 -34.67 71.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.534 -0.729 . . . . 0.0 109.063 179.493 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -55.51 -39.82 71.0 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.622 -1.299 . . . . 0.0 108.165 179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . 0.405 HD12 ' HZ3' ' Y' ' 111' ' ' LYS . 8.9 tp -73.31 -25.6 60.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.675 -0.641 . . . . 0.0 110.331 179.46 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.54 -24.44 46.84 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.633 -1.292 . . . . 0.0 109.361 -179.403 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' Y' ' 109' ' ' MET . 1.7 p90 -41.35 -39.03 1.33 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.547 -0.721 . . . . 0.0 109.746 -179.013 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.406 ' HG3' ' CZ ' ' Y' ' 110' ' ' PHE . 15.1 mtmt -72.13 -44.08 63.7 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.498 ' N ' ' O ' ' Y' ' 109' ' ' MET . 0.7 OUTLIER -65.28 -27.68 68.8 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.779 -179.085 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' Y' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.666 -0.647 . . . . 0.0 . -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.244 0.545 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 3' ' ' LEU . 32.5 p 49.99 20.74 0.62 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.245 -0.91 . . . . 0.0 109.679 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -76.49 8.36 3.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 109.311 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 1' ' ' SER . 3.7 tt -59.97 -36.54 77.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.721 -0.612 . . . . 0.0 111.771 -178.547 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.01 -39.92 87.49 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.816 -1.177 . . . . 0.0 109.605 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -69.54 -33.32 72.62 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.376 -0.828 . . . . 0.0 109.172 -179.062 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.03 79.81 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.767 -179.345 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.9 mtt -64.96 -40.05 94.42 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.15 -0.969 . . . . 0.0 109.205 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.99 -39.91 86.99 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.66 0.743 . . . . 0.0 109.206 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.47 93.6 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.837 -0.539 . . . . 0.0 111.121 -179.043 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.08 -39.85 87.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.911 -1.118 . . . . 0.0 108.861 -178.611 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.87 -37.82 79.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.593 -0.692 . . . . 0.0 110.415 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.02 -48.21 82.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.699 -1.251 . . . . 0.0 110.656 -179.059 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -39.95 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.751 -178.791 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.08 -40.01 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.36 -0.838 . . . . 0.0 109.614 -179.316 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.98 -39.61 86.26 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.168 -0.957 . . . . 0.0 111.007 -178.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.888 -1.132 . . . . 0.0 111.353 -178.183 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 47.0 m-85 -89.32 -28.68 19.68 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.695 -1.253 . . . . 0.0 112.404 -178.286 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -63.04 -39.98 96.35 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.792 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.1 -7.22 85.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.54 -43.37 98.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.071 -1.252 . . . . 0.0 110.866 -178.763 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -100.8 -5.75 25.84 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.077 -1.014 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.92 -17.2 58.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.155 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' LYS . 73.0 m-20 -82.91 68.86 9.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.786 -1.42 . . . . 0.0 108.367 179.391 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.808 -0.558 . . . . 0.0 110.877 -179.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -77.34 -19.99 55.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.208 -0.932 . . . . 0.0 111.6 -177.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . 15.0 ptpt -148.23 159.1 44.32 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.561 -1.337 . . . . 0.0 111.307 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -109.83 136.73 48.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 40.2 mtmt -106.86 156.54 18.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.299 -0.875 . . . . 0.0 108.739 179.214 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.583 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 14.8 ttmm -44.21 -27.32 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -0.874 . . . . 0.0 108.753 179.371 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' LYS . 67.3 m -77.36 -48.48 17.21 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.296 0.57 . . . . 0.0 109.817 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.3 tt0 -70.03 -29.96 67.14 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.42 -39.94 92.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.567 -0.708 . . . . 0.0 109.531 178.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.126 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 4.2 tp10 -70.81 -37.06 73.24 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 109.614 -178.897 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.7 tm? -60.43 -50.01 75.28 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.701 -1.249 . . . . 0.0 108.682 179.372 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -74.52 -48.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 -178.282 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.7 t-20 -66.44 -40.45 89.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.151 -0.968 . . . . 0.0 112.984 -176.319 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE2' ' A' ' 34' ' ' GLU . 4.5 m120 -98.07 -34.67 10.69 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.122 -0.986 . . . . 0.0 113.649 -176.659 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.01 -10.86 59.8 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.059 -1.651 . . . . 0.0 109.317 -178.253 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mt -132.11 58.98 1.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.749 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' ND1' ' A' ' 42' ' ' HIS . 54.3 p -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 110.503 -178.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.534 ' ND1' ' OG ' ' A' ' 41' ' ' SER . 17.5 p-80 -134.88 -16.73 1.95 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.127 -0.983 . . . . 0.0 110.656 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.38 -39.33 94.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.746 -1.221 . . . . 0.0 109.223 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.405 ' CD2' ' H ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -126.75 157.78 38.23 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.817 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 7.7 pt-20 -57.97 116.97 3.84 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.322 -1.486 . . . . 0.0 109.024 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.01 146.96 40.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.514 -0.741 . . . . 0.0 109.217 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -82.3 137.46 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.769 -1.207 . . . . 0.0 108.184 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -106.71 -18.61 13.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.416 -0.803 . . . . 0.0 110.048 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -143.13 140.17 30.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.079 -178.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.97 -31.05 69.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.922 . . . . 0.0 110.364 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -51.69 -34.47 38.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.007 -1.058 . . . . 0.0 109.738 -178.459 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.54 -38.56 81.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 108.504 178.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.7 -33.37 59.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -66.68 -37.81 85.52 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.788 0.804 . . . . 0.0 109.315 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.96 -39.98 87.38 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.651 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 40.4 t -64.82 -31.41 53.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.553 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.583 ' SD ' ' NZ ' ' A' ' 29' ' ' LYS . 2.7 mtt -70.05 -32.85 71.16 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.946 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -39.93 77.6 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.125 -1.609 . . . . 0.0 106.825 179.028 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.4 m -87.87 -40.04 14.31 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 tp -88.45 -17.21 30.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 110.947 -177.11 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.4 t0 -81.08 63.36 5.41 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 75.4 mt-10 -57.71 -40.01 78.56 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 81.9 m-20 -71.18 -19.98 62.34 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.688 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.32 31.22 79.77 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 31.9 p-10 -107.85 5.94 26.94 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.111 -1.229 . . . . 0.0 110.239 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.82 10.01 86.15 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.49 -1.844 . . . . 0.0 108.49 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 73.5 mt-10 -146.27 135.59 22.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 136.37 43.38 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.648 -1.283 . . . . 0.0 107.705 178.814 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 31.7 t0 -78.9 169.99 17.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.357 -0.839 . . . . 0.0 109.537 -178.914 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 8.5 t80 -49.45 -38.73 30.66 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.269 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.77 -50.51 72.07 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.804 -0.56 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 41.8 mt-10 -61.31 -40.28 93.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 110.531 -177.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.7 -30.75 69.47 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 108.733 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.513 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.08 -39.97 87.91 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.572 0.701 . . . . 0.0 109.477 -178.452 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.31 68.51 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 110.19 -179.322 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.81 -24.37 67.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.032 -1.043 . . . . 0.0 108.926 179.519 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 t -71.2 -39.66 73.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.82 0.819 . . . . 0.0 109.485 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.523 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -70.07 -43.39 71.26 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.456 -177.616 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -40.46 90.21 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.634 -1.291 . . . . 0.0 110.851 -178.304 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.8 t -69.97 -33.09 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.604 -1.31 . . . . 0.0 108.85 -179.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 108.684 179.745 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -59.97 -39.79 86.84 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.499 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.66 80.62 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.06 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -59.3 -33.69 71.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.375 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.986 -1.071 . . . . 0.0 108.777 179.5 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -40.08 93.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 178.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.16 -39.98 74.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 109.489 179.496 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.77 64.97 7.51 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.739 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -75.0 108.35 7.67 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -59.98 -39.99 87.6 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 . . . . . 0 C--N 1.301 -1.518 0 O-C-N 121.359 -0.838 . . . . 0.0 . 179.158 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 p 49.94 20.84 0.62 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.4 8.23 3.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.452 -0.78 . . . . 0.0 109.296 179.643 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.93 -36.39 76.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.573 -0.705 . . . . 0.0 111.81 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.01 -39.97 87.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.735 -1.228 . . . . 0.0 109.56 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.416 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -69.15 -33.77 73.94 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.424 -0.797 . . . . 0.0 109.171 -179.2 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.01 80.43 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.492 -0.755 . . . . 0.0 110.789 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -65.16 -39.98 93.71 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.108 -0.995 . . . . 0.0 109.213 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.87 -39.94 86.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.708 0.766 . . . . 0.0 109.173 -179.698 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.31 93.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.825 -0.547 . . . . 0.0 111.225 -178.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.827 -1.17 . . . . 0.0 108.774 -178.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.77 -37.83 79.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.582 -0.699 . . . . 0.0 110.523 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -48.27 82.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.744 -1.223 . . . . 0.0 110.687 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -40.04 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.89 -40.05 83.28 Favored 'General case' 0 C--O 1.201 -1.481 0 O-C-N 121.299 -0.875 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -59.97 -39.63 86.3 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.233 -0.917 . . . . 0.0 110.996 -178.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.905 -1.122 . . . . 0.0 111.394 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.456 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 47.9 m-85 -89.35 -28.65 19.67 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.698 -1.251 . . . . 0.0 112.46 -178.264 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -63.05 -40.0 96.41 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -178.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.12 -7.22 85.56 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.09 -1.241 . . . . 0.0 110.881 -178.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -100.62 -6.15 25.64 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.088 -1.007 . . . . 0.0 109.761 -179.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.11 -17.07 58.57 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.218 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.0 m-20 -82.96 69.12 9.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.742 -1.446 . . . . 0.0 108.395 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -60.07 -39.99 87.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.845 -0.534 . . . . 0.0 110.908 -178.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.52 -20.1 54.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.199 -0.938 . . . . 0.0 111.719 -178.015 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' B' ' 23' ' ' ASP . 15.2 ptpt -147.78 159.37 43.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.575 -1.328 . . . . 0.0 111.21 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.3 mt -110.34 136.92 48.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 30' ' ' SER . 39.4 mtmt -106.88 156.8 18.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.858 . . . . 0.0 108.712 179.268 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.582 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 14.7 ttmm -44.37 -27.23 0.41 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.329 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.7 m -77.51 -48.24 17.55 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.842 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 28.9 tt0 -69.96 -30.35 67.7 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.25 -39.96 93.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.629 -0.669 . . . . 0.0 109.558 178.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.05 -40.01 87.93 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.29 -0.881 . . . . 0.0 110.13 -179.67 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 4.3 tp10 -70.65 -37.36 73.71 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 109.607 -178.923 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 2.7 tm? -60.29 -50.02 75.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -74.51 -48.66 34.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 111.597 -178.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.5 t-20 -66.5 -40.46 89.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.078 -1.013 . . . . 0.0 113.002 -176.328 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.438 ' OD1' ' OE2' ' B' ' 34' ' ' GLU . 4.5 m120 -98.05 -34.67 10.7 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.629 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.98 -11.51 59.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.08 -1.637 . . . . 0.0 109.307 -178.205 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.22 58.87 1.7 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' ND1' ' B' ' 42' ' ' HIS . 56.7 p -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 0.0 110.473 -178.853 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.532 ' ND1' ' OG ' ' B' ' 41' ' ' SER . 17.3 p-80 -134.96 -16.32 1.95 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.163 -0.961 . . . . 0.0 110.619 -179.283 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.54 -39.5 94.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 109.231 -179.721 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.407 ' CD2' ' H ' ' B' ' 45' ' ' GLU . 0.5 OUTLIER -126.53 158.53 35.92 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.778 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 8.7 pt-20 -58.5 117.33 4.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.299 -1.501 . . . . 0.0 109.005 -179.55 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 147.0 40.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.534 -0.729 . . . . 0.0 109.092 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -82.51 137.26 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.135 . . . . 0.0 108.156 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -106.47 -18.92 13.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.44 -0.788 . . . . 0.0 110.089 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -143.05 140.32 30.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.212 -0.93 . . . . 0.0 109.087 -178.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.91 -31.29 69.68 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.311 -0.868 . . . . 0.0 110.351 -179.296 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -51.67 -34.39 38.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.083 -1.011 . . . . 0.0 109.714 -178.392 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.67 -38.45 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.204 -0.935 . . . . 0.0 108.572 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.55 -33.64 61.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -66.61 -37.6 85.21 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.734 0.778 . . . . 0.0 109.343 179.753 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HZ1' ' CB ' ' B' ' 55' ' ' LYS . 3.6 ttmp? -67.07 -40.06 86.98 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.753 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.617 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 39.3 t -64.85 -31.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.652 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.582 ' SD ' ' NZ ' ' B' ' 29' ' ' LYS . 2.8 mtt -70.03 -32.84 71.19 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.95 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -40.01 77.77 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.04 -1.662 . . . . 0.0 106.826 179.034 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.8 m -87.85 -40.02 14.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.899 -0.501 . . . . 0.0 111.069 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.3 tp -88.49 -17.17 30.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.1 -1.0 . . . . 0.0 111.029 -177.084 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.7 t0 -80.97 63.34 5.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.439 -1.413 . . . . 0.0 107.234 178.799 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 79.5 mt-10 -57.51 -40.05 77.86 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.034 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 79.9 m-20 -71.59 -19.93 62.07 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.62 31.25 79.43 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 31.8 p-10 -107.82 5.8 26.86 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.067 -1.255 . . . . 0.0 110.263 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.88 9.96 86.17 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.524 -1.831 . . . . 0.0 108.524 -179.385 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 73.6 mt-10 -146.22 135.5 22.84 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 136.21 43.59 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.686 -1.259 . . . . 0.0 107.658 178.835 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 33.3 t0 -78.97 169.98 17.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.387 -0.82 . . . . 0.0 109.503 -178.905 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 9.5 t80 -49.38 -39.01 30.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.248 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.65 -50.73 71.36 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.804 -0.56 . . . . 0.0 111.186 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 41.1 mt-10 -60.7 -40.74 93.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.046 -1.034 . . . . 0.0 110.614 -178.128 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -68.75 -30.48 69.1 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 108.782 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.01 87.76 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.612 0.72 . . . . 0.0 109.425 -178.635 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.27 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.795 -1.19 . . . . 0.0 110.246 -179.209 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -63.67 -24.55 67.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.033 -1.042 . . . . 0.0 108.964 179.41 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.52 -39.02 69.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 O-C-N 121.33 -0.856 . . . . 0.0 109.594 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.513 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -70.22 -43.52 70.47 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.358 -177.782 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.637 -1.289 . . . . 0.0 110.869 -178.385 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 19.9 t -70.02 -32.92 53.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.563 -1.336 . . . . 0.0 108.987 -179.822 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -60.01 -40.06 87.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -59.98 -39.93 87.39 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.472 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.16 78.92 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.26 -34.14 71.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.506 -0.747 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.05 -41.1 91.6 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.985 -1.072 . . . . 0.0 108.739 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.59 -40.01 93.23 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.42 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.0 109.541 179.441 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.74 65.22 7.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.724 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.86 108.2 7.44 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 . . . . . 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 0.0 . 179.268 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.325 0.583 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . 0.728 ' HD1' ' H ' ' X' ' 95' ' ' LYS . 35.3 t-80 -80.55 159.43 25.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.88 . . . . 0.0 109.819 -179.821 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.679 ' N ' ' HD1' ' X' ' 93' ' ' HIS . 87.3 mt -99.05 11.75 38.08 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.31 -0.869 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . 0.728 ' H ' ' HD1' ' X' ' 93' ' ' HIS . 2.7 mppt? 50.16 -175.79 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.323 -179.589 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 60.8 p -153.36 169.18 23.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.371 -0.831 . . . . 0.0 109.004 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.3 137.7 57.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.04 . . . . 0.0 109.216 -179.62 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.57 -40.03 90.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.774 -179.384 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.95 -157.84 37.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 -179.564 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -138.4 170.66 15.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.331 -1.1 . . . . 0.0 109.323 -179.799 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.455 ' O ' ' N ' ' X' ' 103' ' ' SER . 86.8 p -45.96 -24.6 0.43 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 34.7 m -42.65 -24.64 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.698 . . . . 0.0 109.682 179.768 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.455 ' N ' ' O ' ' X' ' 101' ' ' SER . 80.8 p -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.175 -0.953 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -60.03 -40.0 87.83 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.162 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.651 ' HE2' ' CG2' ' A' ' 56' ' ' VAL . 36.4 t-80 -57.57 -37.38 73.08 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.116 -0.99 . . . . 0.0 108.45 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -31.84 70.24 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 17.9 pttt -55.17 -32.16 61.93 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -24.89 52.53 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.007 0.908 . . . . 0.0 109.665 179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.9 -24.71 64.52 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.155 -1.591 . . . . 0.0 109.216 179.638 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.516 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.9 OUTLIER -48.82 -28.61 3.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.556 -1.34 . . . . 0.0 109.292 -179.107 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -69.98 -40.0 75.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.721 -1.237 . . . . 0.0 107.769 176.129 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.5 p -60.05 -32.45 70.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.236 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 0.0 . 179.869 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.757 ' HD1' ' H ' ' Y' ' 95' ' ' LYS . 35.1 t-80 -80.46 159.51 25.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.349 -0.844 . . . . 0.0 109.784 -179.836 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.676 ' N ' ' HD1' ' Y' ' 93' ' ' HIS . 89.4 mt -99.47 12.24 36.93 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.185 -0.947 . . . . 0.0 109.143 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . 0.757 ' H ' ' HD1' ' Y' ' 93' ' ' HIS . 2.5 mppt? 49.87 -175.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.388 -179.67 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 62.1 p -153.52 169.15 23.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.86 . . . . 0.0 109.029 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.19 137.62 57.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.043 -1.036 . . . . 0.0 109.18 -179.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -60.61 -39.95 90.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.385 -0.822 . . . . 0.0 109.803 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.83 -157.81 38.09 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -179.652 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -138.48 170.77 15.42 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.312 -1.111 . . . . 0.0 109.34 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.451 ' O ' ' N ' ' Y' ' 103' ' ' SER . 82.3 p -46.0 -24.68 0.45 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 32.7 m -42.67 -24.57 0.06 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.623 -0.673 . . . . 0.0 109.637 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.451 ' N ' ' O ' ' Y' ' 101' ' ' SER . 81.8 p -60.0 -38.82 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.171 -0.956 . . . . 0.0 108.921 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.972 . . . . 0.0 108.527 179.116 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.617 ' HE2' ' CG2' ' B' ' 56' ' ' VAL . 36.8 t-80 -57.47 -37.63 73.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.111 -0.993 . . . . 0.0 108.434 179.725 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.01 -31.37 69.87 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.092 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 19.4 pttt -55.43 -32.05 62.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.78 -1.2 . . . . 0.0 107.802 179.589 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -24.87 52.54 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.987 0.898 . . . . 0.0 109.65 179.697 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -60.0 -24.73 64.71 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.162 -1.586 . . . . 0.0 109.277 179.72 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.508 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.9 OUTLIER -48.65 -28.76 3.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.587 -1.321 . . . . 0.0 109.342 -179.269 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.508 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.689 -1.257 . . . . 0.0 107.758 176.167 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.482 ' N ' ' O ' ' Y' ' 109' ' ' MET . 44.9 p -59.98 -31.9 70.33 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.284 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 . 179.802 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m 58.1 21.81 8.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.418 -0.801 . . . . 0.0 109.481 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -77.8 9.84 3.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.84 . . . . 0.0 109.422 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.86 -38.02 80.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 0.0 110.471 -177.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.13 -39.8 87.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.809 -1.182 . . . . 0.0 110.082 -179.205 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.4 mppt? -67.94 -39.08 83.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 109.898 -179.445 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.05 85.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.118 -0.989 . . . . 0.0 110.849 -178.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.0 mtt -62.07 -40.05 94.5 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.127 -0.983 . . . . 0.0 109.356 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.34 -39.27 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-O 121.609 0.718 . . . . 0.0 109.098 -179.683 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.84 95.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.724 -0.61 . . . . 0.0 111.624 -178.455 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.98 -40.01 87.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.657 -1.277 . . . . 0.0 108.347 -179.239 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 11' ' ' ILE . 90.1 mt -66.32 -39.98 85.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.655 -0.653 . . . . 0.0 110.992 -179.36 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -66.87 -40.12 87.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.631 -1.293 . . . . 0.0 111.757 -178.205 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.91 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.275 -0.891 . . . . 0.0 110.672 -178.325 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.48 -39.95 68.0 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.205 -0.934 . . . . 0.0 109.067 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -77.41 -22.16 52.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.611 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -55.53 -46.65 77.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.687 -1.258 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 29.1 p90 -114.1 -25.83 8.35 Favored 'General case' 0 N--CA 1.507 2.399 0 C-N-CA 119.696 -0.801 . . . . 0.0 112.168 -177.73 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -67.56 -40.07 84.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.555 -1.34 . . . . 0.0 110.754 -178.487 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.26 59.83 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.424 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 61.7 mtp180 -59.96 -49.97 75.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.548 -1.56 . . . . 0.0 109.108 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -93.04 165.74 12.7 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.716 -179.082 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.5 -18.25 15.0 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.527 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.519 ' OD1' ' NZ ' ' A' ' 26' ' ' LYS . 90.5 m-20 -73.1 51.36 0.3 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.003 -1.293 . . . . 0.0 109.746 -179.564 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -71.54 -40.07 70.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.728 -1.232 . . . . 0.0 110.194 179.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.43 -0.2 57.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.233 -0.917 . . . . 0.0 110.354 -178.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 19.0 pttp -148.13 167.73 24.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.232 -0.917 . . . . 0.0 108.784 -179.748 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 tp -122.48 131.64 53.96 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.189 -0.944 . . . . 0.0 109.062 -179.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 23.0 tptm -106.74 145.94 31.45 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.095 -1.003 . . . . 0.0 109.203 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ttmm -38.09 -24.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.571 0.7 . . . . 0.0 109.215 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' LYS . 15.5 t -74.52 -50.01 19.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.804 . . . . 0.0 109.276 179.373 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.2 mt-10 -68.05 -35.05 77.6 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.123 -0.985 . . . . 0.0 108.913 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.167 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' CE ' ' ND2' ' A' ' 37' ' ' ASN . 86.4 tttt -60.41 -39.42 87.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 179.091 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 86.4 tt0 -62.42 -39.9 94.82 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.901 0.858 . . . . 0.0 109.238 -179.266 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD2' ' OE1' ' A' ' 39' ' ' GLU . 2.9 tm? -60.1 -49.04 79.2 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.878 -1.139 . . . . 0.0 108.605 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.55 -47.94 43.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.5 -0.75 . . . . 0.0 112.208 -177.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 96.2 m-20 -79.52 -46.56 17.16 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.538 -1.351 . . . . 0.0 112.742 -176.39 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.463 HD21 ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -77.12 -50.53 12.82 Favored 'General case' 0 C--N 1.285 -2.229 0 O-C-N 121.464 -0.773 . . . . 0.0 112.98 -176.497 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' ' CD2' ' A' ' 35' ' ' LEU . 75.8 tt0 -71.43 -39.99 70.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.623 -1.298 . . . . 0.0 110.276 -178.164 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.66 61.84 1.36 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.338 -0.851 . . . . 0.0 108.731 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 109.921 -179.544 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -136.54 -14.96 1.66 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.218 -0.926 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.5 t80 -66.97 -35.11 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.026 -1.046 . . . . 0.0 109.74 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -130.02 160.36 33.91 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.69 114.39 4.95 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.816 -1.178 . . . . 0.0 109.975 -178.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -59.92 141.99 54.48 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.237 0.541 . . . . 0.0 110.184 179.718 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 5.8 mm -76.1 135.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 108.894 179.49 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -2.35 26.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.539 -0.726 . . . . 0.0 110.712 -178.716 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -152.29 132.89 13.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.943 -1.098 . . . . 0.0 108.985 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 3.2 tm0? -60.05 -28.08 67.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 0.0 111.223 -179.128 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 18.1 pt-20 -60.01 -36.84 78.1 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.858 -1.151 . . . . 0.0 109.643 -179.252 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.02 -37.01 70.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.58 -1.266 . . . . 0.0 107.58 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.73 -33.88 64.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -66.45 -36.72 83.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.344 -0.848 . . . . 0.0 109.397 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -68.37 -39.8 81.66 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.488 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 45.2 t -60.2 -38.57 77.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 61' ' ' ASP . 67.2 mmm -70.55 -23.71 62.66 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.271 179.885 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.35 -39.97 84.9 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 119.96 -1.713 . . . . 0.0 106.606 178.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -40.22 15.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.501 -0.75 . . . . 0.0 109.705 178.34 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.98 -27.25 57.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.129 -0.982 . . . . 0.0 109.952 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.9 t0 -79.0 58.94 2.54 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.809 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.43 -35.73 72.54 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -179.216 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.28 -11.42 59.91 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.02 29.9 76.21 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 39.4 p-10 -107.88 10.53 28.54 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.184 -1.186 . . . . 0.0 110.284 -179.405 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.07 3.38 64.59 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 93.3 mt-10 -131.66 131.07 42.86 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.425 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.69 124.49 42.03 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.489 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 56.4 t0 -63.25 158.61 19.71 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -178.775 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 t80 -48.32 -37.5 16.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.127 -0.983 . . . . 0.0 108.861 -179.683 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -69.21 -39.5 78.56 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.907 -1.12 . . . . 0.0 109.99 179.198 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.17 -42.54 99.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.874 -1.141 . . . . 0.0 110.071 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -66.89 -35.32 79.74 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 108.778 179.409 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.412 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.3 mmm -59.96 -36.42 77.07 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.294 0.569 . . . . 0.0 110.103 -179.076 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.38 -34.83 78.09 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.89 -1.131 . . . . 0.0 110.795 -179.283 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.96 -39.87 87.11 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.974 -1.079 . . . . 0.0 109.339 -179.727 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.295 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.214 -179.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 59.6 p -61.51 -40.03 93.14 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.424 -0.798 . . . . 0.0 110.236 -178.378 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 mtm -74.24 -43.96 54.95 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.88 -178.402 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.96 -37.87 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.85 -1.156 . . . . 0.0 110.206 -178.357 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.7 m -59.96 -37.75 80.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.05 -40.18 73.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.694 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.94 84.21 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.299 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.8 t -59.86 -33.4 71.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.436 -0.79 . . . . 0.0 109.236 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.419 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 14.0 t-80 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.949 -1.094 . . . . 0.0 109.105 -179.581 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.68 -41.24 94.7 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.09 -39.61 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.559 -0.713 . . . . 0.0 109.606 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 53.73 2.0 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -179.656 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.95 114.88 5.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 108.814 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -54.03 -31.67 51.99 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 . . . . . 0 N--CA 1.5 2.03 0 O-C-N 121.545 -0.722 . . . . 0.0 . 179.749 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.309 0.576 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m 57.51 22.71 8.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.475 -0.766 . . . . 0.0 109.43 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -78.04 9.88 3.33 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 109.356 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.87 -38.49 82.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 110.581 -177.597 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.96 -39.91 87.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.813 -1.179 . . . . 0.0 110.049 -179.019 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.408 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.2 mppt? -67.53 -39.57 85.06 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.32 -0.863 . . . . 0.0 109.909 -179.547 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.13 86.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.17 -0.956 . . . . 0.0 110.822 -178.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.2 mtt -62.3 -40.04 94.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 109.438 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.34 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.1 96.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.729 -0.607 . . . . 0.0 111.663 -178.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.91 -40.04 87.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.643 -1.286 . . . . 0.0 108.395 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.5 mt -66.19 -40.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.696 -0.627 . . . . 0.0 111.05 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.91 -40.06 87.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.712 -1.242 . . . . 0.0 111.762 -178.252 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -39.62 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.298 -0.876 . . . . 0.0 110.722 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.5 -40.06 68.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 0.0 109.055 179.815 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -77.37 -22.18 52.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.941 . . . . 0.0 111.62 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.32 -46.84 76.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.663 -1.273 . . . . 0.0 110.717 -178.413 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 27.2 p90 -114.07 -25.9 8.33 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.376 -0.827 . . . . 0.0 112.339 -177.695 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -67.52 -39.98 85.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.674 -1.267 . . . . 0.0 110.679 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.41 -8.74 60.01 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.484 -178.328 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.521 ' NH1' ' OE2' ' B' ' 34' ' ' GLU . 60.5 mtp180 -60.07 -49.91 75.78 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.596 -1.532 . . . . 0.0 109.074 179.706 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -92.99 166.02 12.58 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.521 0.677 . . . . 0.0 109.814 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.31 -19.02 15.59 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' OD1' ' NZ ' ' B' ' 26' ' ' LYS . 91.2 m-20 -72.99 51.31 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.004 -1.292 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -71.5 -40.03 70.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.722 -1.236 . . . . 0.0 110.235 179.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -89.32 -0.06 57.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.264 -0.897 . . . . 0.0 110.278 -178.485 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.523 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 20.3 pttp -148.35 168.11 23.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 108.888 -179.601 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -123.18 131.57 53.73 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 109.141 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.561 ' O ' ' N ' ' B' ' 30' ' ' SER . 22.2 tptm -106.57 146.12 31.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.147 -0.97 . . . . 0.0 109.231 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ttmm -38.2 -24.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.56 0.695 . . . . 0.0 109.196 178.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.561 ' N ' ' O ' ' B' ' 28' ' ' LYS . 14.3 t -74.64 -50.03 19.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.425 -0.797 . . . . 0.0 109.307 179.386 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 70.2 mt-10 -67.86 -35.16 78.06 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.083 -1.011 . . . . 0.0 108.906 179.002 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.03 -42.76 95.1 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.315 -0.866 . . . . 0.0 109.155 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.47 -39.63 88.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.203 -0.935 . . . . 0.0 109.186 179.023 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.521 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 86.9 tt0 -62.21 -39.82 94.04 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.907 0.86 . . . . 0.0 109.303 -179.209 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' B' ' 39' ' ' GLU . 2.9 tm? -60.21 -48.78 80.27 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 120.929 -1.107 . . . . 0.0 108.633 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.04 -47.76 40.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.452 -0.78 . . . . 0.0 112.134 -177.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.7 m-20 -79.4 -47.04 16.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.606 -1.309 . . . . 0.0 112.737 -176.292 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.462 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.4 OUTLIER -77.17 -50.26 13.36 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 121.514 -0.741 . . . . 0.0 112.932 -176.402 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' B' ' 35' ' ' LEU . 78.3 tt0 -71.68 -40.11 69.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.581 -1.324 . . . . 0.0 110.319 -178.22 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.31 61.88 1.46 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.338 -0.851 . . . . 0.0 108.802 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.1 m -60.01 -39.98 87.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.338 -0.851 . . . . 0.0 110.078 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.69 -14.92 1.62 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.4 t80 -67.26 -35.05 78.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 0.0 109.809 -179.364 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tp -129.9 160.07 34.68 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.66 114.73 5.18 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.736 -1.227 . . . . 0.0 110.029 -178.811 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -59.8 142.03 54.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.8 -0.563 . . . . 0.0 110.267 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.494 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 5.6 mm -76.12 135.81 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.196 -0.94 . . . . 0.0 108.831 179.375 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -2.41 26.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -178.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -152.52 133.31 14.0 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.973 -1.079 . . . . 0.0 108.993 -179.658 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.461 ' O ' ' NE2' ' B' ' 50' ' ' GLN . 3.0 tm0? -60.12 -28.1 67.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.687 . . . . 0.0 111.277 -179.172 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.517 ' N ' ' OE2' ' B' ' 49' ' ' GLU . 18.3 pt-20 -60.28 -36.7 78.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.908 -1.12 . . . . 0.0 109.797 -179.253 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.02 -37.16 71.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.85 -33.71 63.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -66.5 -36.8 83.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.426 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -68.74 -39.69 80.22 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 54.3 t -59.97 -38.51 76.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 177.877 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 67.5 mmm -70.82 -23.72 62.41 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.29 -39.91 84.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 119.998 -1.689 . . . . 0.0 106.749 178.746 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -40.35 14.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.598 -0.689 . . . . 0.0 109.635 178.435 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.63 -27.73 58.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.254 -0.903 . . . . 0.0 110.006 -179.523 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.3 t0 -78.77 59.15 2.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 178.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -58.95 -35.24 72.82 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -76.43 -11.51 59.9 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.18 29.71 75.74 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.663 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 38.0 p-10 -107.66 10.26 29.04 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.222 -1.164 . . . . 0.0 110.199 -179.409 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.485 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.05 3.63 65.25 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 -179.263 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 93.6 mt-10 -131.61 131.05 42.94 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.71 124.82 42.2 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.531 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.2 t0 -63.37 158.61 20.07 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.325 -0.859 . . . . 0.0 108.757 -178.8 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.2 t80 -48.24 -37.74 16.81 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.169 -0.957 . . . . 0.0 108.77 -179.738 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -69.14 -39.06 79.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.956 -1.09 . . . . 0.0 110.099 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.85 -42.06 99.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.735 -1.228 . . . . 0.0 110.06 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.01 -35.28 79.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.296 -0.877 . . . . 0.0 108.769 179.392 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 76.3 mmm -60.0 -36.46 77.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.255 0.55 . . . . 0.0 110.194 -179.101 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.461 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -67.49 -34.63 77.54 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.91 -39.86 86.84 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.935 -1.103 . . . . 0.0 109.342 -179.831 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.1 -39.35 80.18 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.24 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.217 -178.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 54.1 p -61.57 -40.02 93.23 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.233 -178.341 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.4 mtm -74.43 -43.51 55.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.063 -178.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.05 -38.28 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.983 -1.073 . . . . 0.0 110.048 -178.763 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.2 m -59.85 -37.58 79.65 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -40.18 73.16 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.57 84.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.93 -33.36 71.79 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.469 -0.769 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.436 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 12.2 t-80 -59.94 -40.98 90.82 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.931 -179.61 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.73 -41.25 94.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.0 -1.063 . . . . 0.0 108.179 178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.04 -39.78 75.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 109.514 179.323 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 53.52 2.02 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -65.81 114.9 5.4 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.246 -0.908 . . . . 0.0 108.789 -179.351 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -54.18 -31.6 53.23 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.5 2.038 0 O-C-N 121.583 -0.698 . . . . 0.0 . 179.719 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.195 0.522 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -60.25 -39.99 88.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 88.2 mt -74.29 158.8 33.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.855 . . . . 0.0 109.506 -179.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -97.74 159.65 14.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.56 -0.712 . . . . 0.0 109.314 -179.336 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p 60.17 -171.03 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.356 -0.84 . . . . 0.0 108.898 -178.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . 0.603 ' HZ3' ' H ' ' X' ' 100' ' ' GLN . 55.0 tttm -140.67 125.28 17.92 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.707 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.38 -40.25 93.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.79 . . . . 0.0 109.825 -179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.48 80.0 1.15 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . 0.603 ' H ' ' HZ3' ' X' ' 97' ' ' LYS . 22.0 pt20 -140.64 177.34 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -1.139 . . . . 0.0 109.583 -179.921 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.538 ' O ' ' N ' ' X' ' 103' ' ' SER . 91.0 p -50.13 -28.07 6.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.843 . . . . 0.0 110.188 -179.463 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.43 ' C ' ' O ' ' X' ' 101' ' ' SER . 24.1 m -40.0 -24.3 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.537 -0.727 . . . . 0.0 109.862 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 101' ' ' SER . 64.7 m -58.19 -38.15 76.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.411 -0.805 . . . . 0.0 109.671 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.435 ' HG3' ' H ' ' X' ' 105' ' ' HIS . 0.1 OUTLIER -60.0 -39.9 87.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.917 -1.115 . . . . 0.0 109.224 -179.671 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.488 ' HE2' ' CG2' ' A' ' 56' ' ' VAL . 5.0 t-80 -61.26 -38.82 88.06 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.272 179.604 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -59.65 -35.33 74.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.561 -0.712 . . . . 0.0 109.23 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.9 -41.02 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.665 -1.272 . . . . 0.0 108.426 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.5 -30.17 67.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.441 -0.787 . . . . 0.0 109.805 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' X' ' 112' ' ' THR . 34.0 mmt -54.36 -24.41 19.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.957 -1.09 . . . . 0.0 109.25 -179.578 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -40.33 -35.86 0.47 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.596 -0.69 . . . . 0.0 109.646 -179.839 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.468 ' CG ' ' CZ ' ' X' ' 110' ' ' PHE . 17.3 mtmt -79.71 -40.01 29.9 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.006 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 3.4 m -65.62 -41.59 92.5 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.519 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.51 2.57 0 C-N-CA 122.909 0.484 . . . . 0.0 . 179.442 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.254 0.549 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -60.16 -39.98 88.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.481 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 84.8 mt -74.54 159.13 32.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -98.18 159.97 14.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.516 -0.74 . . . . 0.0 109.357 -179.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p 60.51 -171.18 0.14 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.322 -0.861 . . . . 0.0 108.753 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . 0.524 ' NZ ' ' OG ' ' Y' ' 103' ' ' SER . 55.7 tttm -140.92 125.41 17.72 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.231 -0.918 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -61.37 -40.45 94.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 0.0 109.676 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 108.89 80.54 1.22 Allowed Glycine 0 N--CA 1.502 3.055 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.862 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -140.27 177.6 7.88 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.329 -1.1 . . . . 0.0 109.463 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.527 ' O ' ' N ' ' Y' ' 103' ' ' SER . 91.2 p -50.07 -28.03 6.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.339 -0.851 . . . . 0.0 110.221 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.426 ' C ' ' O ' ' Y' ' 101' ' ' SER . 24.1 m -40.18 -24.33 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.515 -0.741 . . . . 0.0 109.893 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.527 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.3 m -58.08 -38.26 76.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.45 -0.781 . . . . 0.0 109.556 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.425 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.1 OUTLIER -60.0 -39.7 86.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.806 -1.184 . . . . 0.0 109.329 -179.597 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.47 ' HE2' ' CG2' ' B' ' 56' ' ' VAL . 5.1 t-80 -61.52 -38.2 86.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.222 -0.924 . . . . 0.0 109.272 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.84 -35.5 74.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 0.0 109.13 -179.324 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.92 -40.95 90.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.616 -1.302 . . . . 0.0 108.577 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.35 -30.06 67.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.298 -0.876 . . . . 0.0 109.803 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.502 ' O ' ' N ' ' Y' ' 112' ' ' THR . 34.5 mmt -54.42 -24.47 20.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.979 -1.076 . . . . 0.0 109.283 -179.599 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -40.39 -36.11 0.51 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.595 -0.691 . . . . 0.0 109.556 -179.892 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.458 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 17.4 mtmt -79.53 -40.04 30.52 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.502 ' N ' ' O ' ' Y' ' 109' ' ' MET . 3.6 m -65.72 -40.57 92.36 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.443 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.511 2.604 0 C-N-CA 122.923 0.489 . . . . 0.0 . 179.457 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.36 0.6 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 58.48 24.62 12.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.445 -0.784 . . . . 0.0 109.787 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.06 13.01 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -0.815 . . . . 0.0 108.886 179.232 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -58.65 -35.13 72.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 0.0 109.775 -178.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.928 -1.108 . . . . 0.0 109.269 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -66.28 -40.01 89.78 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.494 -0.754 . . . . 0.0 110.251 -179.572 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.0 77.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.283 -0.885 . . . . 0.0 111.863 -177.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.465 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 37.1 mtt -67.24 -38.34 85.04 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.856 -1.152 . . . . 0.0 109.457 -179.069 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.19 -36.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.753 -0.592 . . . . 0.0 109.849 -179.617 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.66 77.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.571 -0.706 . . . . 0.0 111.477 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.98 -40.09 87.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.835 -1.165 . . . . 0.0 108.575 -179.087 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.48 -38.42 76.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.2 t0 -60.17 -44.6 94.9 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.915 -1.115 . . . . 0.0 111.04 -179.45 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.06 -39.22 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.076 -1.015 . . . . 0.0 109.097 -179.526 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -52.75 -39.7 62.44 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.661 -1.274 . . . . 0.0 108.919 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.97 -21.42 63.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.417 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -45.36 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.197 -0.939 . . . . 0.0 110.0 -178.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -97.41 -34.58 10.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.83 -1.169 . . . . 0.0 111.71 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 2.8 t -60.83 -43.12 98.69 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 120.846 -1.159 . . . . 0.0 110.392 -178.327 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -11.16 82.2 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.01 -43.14 95.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.232 -1.158 . . . . 0.0 109.317 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.49 169.51 8.91 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.662 0.744 . . . . 0.0 110.074 -179.219 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.03 -32.04 62.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 26' ' ' LYS . 10.2 t0 -74.01 68.03 1.33 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.572 -1.546 . . . . 0.0 109.292 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' O ' ' OG ' ' A' ' 18' ' ' SER . 13.6 ttmm -69.97 -40.05 75.6 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.439 -0.788 . . . . 0.0 110.607 -179.762 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.677 ' HD1' ' H ' ' A' ' 25' ' ' HIS . 9.6 p-80 -81.07 -13.88 58.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.127 . . . . 0.0 110.879 -178.302 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 9.1 mtpm? -139.28 152.92 47.64 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -179.179 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.15 125.92 54.64 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.127 0.489 . . . . 0.0 110.628 -178.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -93.12 151.55 19.78 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.353 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -43.59 -22.67 0.05 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.848 -1.158 . . . . 0.0 108.75 -179.842 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LYS . 45.8 t -69.95 -49.3 53.21 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.078 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.75 -33.63 72.71 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.743 -1.223 . . . . 0.0 108.38 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.98 -39.1 84.54 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.807 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.02 -40.05 87.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.443 -0.786 . . . . 0.0 110.047 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.54 -39.3 74.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.012 -1.055 . . . . 0.0 110.383 -178.667 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.83 -50.66 68.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.761 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.7 mt -73.2 -42.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.614 -0.679 . . . . 0.0 111.331 -177.676 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -69.73 -38.5 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.914 -1.116 . . . . 0.0 111.503 -178.135 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.22 -34.89 10.17 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -79.9 -10.92 59.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.228 -1.545 . . . . 0.0 110.237 -177.291 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 mt -117.37 46.62 1.67 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.403 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 0.0 110.443 -178.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -125.95 -6.53 6.7 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.274 -0.891 . . . . 0.0 110.279 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.456 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -61.77 -48.84 78.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 108.62 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.32 -176.56 5.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.0 110.699 -179.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 51.7 tp10 -54.57 98.74 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.61 162.51 12.85 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.544 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.0 139.65 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.98 . . . . 0.0 109.833 -179.172 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -113.66 -26.58 8.18 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.501 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -121.17 147.28 45.81 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.757 0.789 . . . . 0.0 110.283 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.02 -21.32 63.21 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.4 pt-20 -60.29 -39.98 88.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 110.656 -179.177 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 60.4 t -60.02 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.73 -38.08 80.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.333 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.028 0.918 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.58 -29.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.026 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -64.83 -35.18 80.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.36 -39.77 73.43 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.27 -1.519 . . . . 0.0 106.916 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 m -79.23 -44.88 20.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.577 -0.702 . . . . 0.0 111.609 179.504 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 17.4 mt -88.7 -18.29 28.18 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.702 -1.248 . . . . 0.0 111.16 -177.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 57' ' ' MET . 30.9 t0 -81.33 61.48 4.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 179.233 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -60.0 -40.0 87.71 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.629 -177.781 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 40.4 p-10 -89.94 -0.78 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.067 -1.02 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.13 39.74 97.44 Favored Glycine 0 N--CA 1.495 2.582 0 C-N-CA 119.52 -1.324 . . . . 0.0 109.813 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.8 p-10 -103.22 -0.99 29.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -1.135 . . . . 0.0 109.966 -179.552 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.52 -1.12 73.29 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 20.8 pt-20 -140.04 137.37 34.54 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.6 128.55 45.71 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.51 170.12 13.99 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -48.86 -40.01 27.93 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.568 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.02 -49.39 70.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.753 -0.592 . . . . 0.0 111.048 179.711 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -60.05 -41.45 92.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.972 -1.08 . . . . 0.0 110.656 -178.474 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -70.87 -26.96 63.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.884 -1.135 . . . . 0.0 108.229 178.67 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.557 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -59.95 -39.91 87.22 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.94 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.37 -32.24 69.84 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.132 -0.98 . . . . 0.0 110.56 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.95 -40.15 88.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.639 -1.288 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -35.34 74.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.605 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.566 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 7.7 t -60.82 -44.86 96.36 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.853 0.835 . . . . 0.0 110.537 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.589 ' C ' ' HZ2' ' X' ' 111' ' ' LYS . 79.5 mtp -69.93 -40.62 75.42 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.694 -0.629 . . . . 0.0 111.59 -177.729 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.97 -32.07 50.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.863 -1.148 . . . . 0.0 109.888 -179.048 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -40.0 87.73 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.871 0.843 . . . . 0.0 109.022 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -58.99 -39.86 83.12 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.71 75.65 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.04 -34.01 72.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.541 -0.725 . . . . 0.0 109.233 179.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.28 -43.72 92.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.947 . . . . 0.0 108.63 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -39.96 95.66 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.882 178.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -67.81 -40.04 83.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.836 . . . . 0.0 110.371 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CE1' ' CE1' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -86.97 44.68 1.19 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.334 -0.854 . . . . 0.0 110.028 -178.708 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -93.42 79.94 4.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.999 -1.063 . . . . 0.0 109.113 179.302 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.47 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 21.0 m80 -82.39 -10.39 59.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.313 -0.867 . . . . 0.0 109.576 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.177 -0.952 . . . . 0.0 . -179.988 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.323 0.582 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.467 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 59.17 24.25 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.728 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.01 13.29 0.9 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.382 -0.824 . . . . 0.0 108.885 179.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.6 tp -58.88 -35.24 72.66 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.737 -178.576 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 0.0 109.298 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -66.13 -40.03 90.34 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.538 -0.726 . . . . 0.0 110.294 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.94 77.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 111.858 -177.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.456 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 37.1 mtt -67.08 -38.52 85.89 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.936 -1.102 . . . . 0.0 109.515 -179.116 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.11 -36.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.776 -0.577 . . . . 0.0 109.89 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.64 77.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 111.535 -177.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.872 -1.142 . . . . 0.0 108.468 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt -69.38 -38.56 77.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -60.16 -44.36 95.08 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.897 -1.127 . . . . 0.0 110.998 -179.443 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -38.96 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.121 -179.449 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.82 -39.79 62.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.772 -1.205 . . . . 0.0 108.829 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.98 -21.41 63.24 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.039 -1.038 . . . . 0.0 109.39 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -45.58 92.07 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.199 -0.938 . . . . 0.0 110.084 -178.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.34 -34.37 11.08 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.882 -1.136 . . . . 0.0 111.713 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t -60.95 -43.09 99.22 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 110.517 -178.345 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -11.03 82.3 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.03 -43.26 95.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -1.155 . . . . 0.0 109.336 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.53 169.2 9.14 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.61 0.719 . . . . 0.0 110.089 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.21 61.89 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.3 t0 -73.71 68.0 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.574 -1.545 . . . . 0.0 109.282 -179.221 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.456 ' O ' ' OG ' ' B' ' 18' ' ' SER . 12.9 ttmm -69.98 -39.97 75.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.381 -0.825 . . . . 0.0 110.659 -179.818 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.686 ' HD1' ' H ' ' B' ' 25' ' ' HIS . 9.2 p-80 -81.01 -14.19 58.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.927 -1.108 . . . . 0.0 110.952 -178.335 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 9.0 mtpm? -139.07 152.96 47.96 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.003 -1.061 . . . . 0.0 110.338 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -112.13 125.87 54.58 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.7 tttt -92.99 151.39 19.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.319 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -43.64 -22.64 0.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 108.758 -179.691 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.1 t -69.96 -49.12 54.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.062 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.77 -33.53 72.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.762 -1.211 . . . . 0.0 108.45 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -39.15 84.87 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.785 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.494 -0.753 . . . . 0.0 110.03 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.63 -38.87 73.93 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.013 -1.054 . . . . 0.0 110.409 -178.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.32 -50.57 67.27 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.785 -1.197 . . . . 0.0 109.686 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -73.1 -43.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.617 -0.677 . . . . 0.0 111.261 -177.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -69.51 -38.77 77.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.817 -1.177 . . . . 0.0 111.504 -178.077 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.01 -34.9 10.23 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -79.72 -10.97 59.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.164 -1.585 . . . . 0.0 110.189 -177.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 mt -117.42 46.5 1.7 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.463 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -60.05 -39.94 87.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.835 . . . . 0.0 110.438 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -125.66 -6.57 6.87 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.322 -0.861 . . . . 0.0 110.302 -179.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -61.8 -48.78 79.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.04 -1.038 . . . . 0.0 108.629 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.39 -176.52 5.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.098 -1.001 . . . . 0.0 110.676 -179.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 51.4 tp10 -54.59 98.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.592 0.71 . . . . 0.0 109.43 -179.612 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.5 162.52 12.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.505 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.01 139.67 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.856 -179.158 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -113.6 -26.64 8.17 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.471 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -121.1 147.13 45.98 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 121.843 0.83 . . . . 0.0 110.358 -179.863 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.05 -21.12 63.2 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.3 pt-20 -60.39 -40.01 89.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.571 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 60.0 t -60.03 -40.08 82.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.68 -38.23 81.07 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.78 -39.86 93.18 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.084 0.945 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.633 ' HZ1' ' ND1' ' Y' ' 105' ' ' HIS . 2.8 ttmp? -65.17 -40.04 93.73 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.43 -29.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -64.86 -35.14 80.17 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.151 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.34 -39.58 73.07 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.2 m -79.44 -45.02 20.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.582 -0.699 . . . . 0.0 111.587 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 17.1 mt -88.57 -18.36 28.24 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.735 -1.228 . . . . 0.0 111.167 -177.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' MET . 32.6 t0 -81.37 61.48 4.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.232 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -60.03 -40.02 87.9 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.655 -177.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 40.2 p-10 -89.99 -0.59 57.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.085 -1.009 . . . . 0.0 109.432 -179.584 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.06 39.96 97.7 Favored Glycine 0 N--CA 1.493 2.489 0 C-N-CA 119.526 -1.321 . . . . 0.0 109.838 179.205 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 34.1 p-10 -103.52 -1.1 28.91 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.215 -1.168 . . . . 0.0 110.014 -179.509 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.39 -0.95 73.23 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 20.9 pt-20 -140.19 137.43 34.34 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.437 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.67 128.76 45.77 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.051 -1.031 . . . . 0.0 108.221 -179.907 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -71.58 170.38 13.52 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.558 -0.714 . . . . 0.0 109.361 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -49.21 -39.99 31.81 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.157 -0.964 . . . . 0.0 108.519 179.693 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -64.8 -49.37 70.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.885 -0.509 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -60.07 -41.78 93.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 110.577 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.85 -26.54 63.32 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.566 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.03 87.83 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.057 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.16 69.62 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.181 -0.95 . . . . 0.0 110.636 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.08 -40.15 88.55 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.663 -1.273 . . . . 0.0 110.253 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -35.45 74.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.604 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.557 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 7.7 t -60.64 -45.08 95.43 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.865 0.84 . . . . 0.0 110.476 -179.42 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.57 ' C ' ' HZ2' ' Y' ' 111' ' ' LYS . 80.1 mtp -69.78 -40.51 76.01 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.614 -0.679 . . . . 0.0 111.696 -177.692 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.0 -32.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.912 -1.117 . . . . 0.0 109.816 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.821 0.819 . . . . 0.0 109.0 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.508 ' H ' ' HG1' ' B' ' 82' ' ' THR . 2.0 m -58.86 -39.96 82.89 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.7 75.45 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.02 -34.19 73.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.554 -0.716 . . . . 0.0 109.204 179.49 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.03 -43.87 91.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.102 -0.999 . . . . 0.0 108.579 -179.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.467 -0.893 . . . . 0.0 108.911 178.565 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.89 -39.99 83.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' B' ' 90' ' ' HIS . 0.2 OUTLIER -86.87 44.6 1.18 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.34 -0.85 . . . . 0.0 109.981 -178.686 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.55 80.13 4.32 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.037 -1.039 . . . . 0.0 109.08 179.24 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 20.4 m80 -82.3 -10.52 59.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.376 -0.827 . . . . 0.0 109.581 179.744 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 0.0 . -179.99 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -60.91 -40.06 91.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.325 -0.859 . . . . 0.0 110.467 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' X' ' 94' ' ' LEU . 2.8 mm? -98.42 117.79 33.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.972 -1.08 . . . . 0.0 108.501 179.701 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -69.97 -40.02 75.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 -179.573 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -86.18 133.47 33.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.334 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -103.99 119.94 39.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.382 -0.824 . . . . 0.0 109.115 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -130.65 141.85 50.43 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.553 -0.717 . . . . 0.0 109.123 179.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.19 -161.53 50.02 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -130.15 148.35 51.98 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.44 -1.035 . . . . 0.0 109.268 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -61.81 -24.76 67.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 109.35 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.586 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 2.7 t -46.61 -27.68 1.22 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 0.0 109.388 -179.599 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -52.11 -33.17 38.58 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.834 -1.166 . . . . 0.0 108.673 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -60.5 -39.94 89.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.394 -0.816 . . . . 0.0 110.166 179.716 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.598 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 2.9 p-80 -59.23 -37.48 77.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.715 -1.241 . . . . 0.0 108.798 -179.208 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.598 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 86.8 tttt -59.95 -30.47 69.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.317 -0.864 . . . . 0.0 109.226 179.73 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -59.9 -40.02 87.36 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.876 -1.14 . . . . 0.0 108.379 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 23.2 tp -72.36 -26.48 61.92 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.759 0.79 . . . . 0.0 109.079 179.028 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.446 ' O ' ' OG1' ' X' ' 112' ' ' THR . 20.9 mmt -65.06 -24.22 67.4 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.974 -1.079 . . . . 0.0 109.953 179.243 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -39.96 -46.71 2.11 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.361 -0.837 . . . . 0.0 110.64 -177.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.589 ' HZ2' ' C ' ' A' ' 79' ' ' MET . 41.5 pttt -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 109.821 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' X' ' 109' ' ' MET . 81.1 p -62.39 -29.03 70.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.083 -1.01 . . . . 0.0 109.138 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.425 -0.797 . . . . 0.0 . 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -60.96 -40.02 91.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.455 -179.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' Y' ' 94' ' ' LEU . 2.9 mm? -98.45 117.47 32.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.009 -1.057 . . . . 0.0 108.562 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.422 -0.799 . . . . 0.0 109.704 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 12.9 m -86.04 133.63 33.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.305 -0.872 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -104.29 119.97 40.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.441 -0.787 . . . . 0.0 108.998 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -130.68 141.63 50.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.38 -161.45 50.53 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -130.38 148.39 52.19 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.512 -0.993 . . . . 0.0 109.198 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 81.1 p -61.87 -24.78 67.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 0.0 109.334 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.578 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 2.9 t -46.61 -27.64 1.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.174 -0.954 . . . . 0.0 109.426 -179.603 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t -52.26 -32.95 39.52 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.849 -1.157 . . . . 0.0 108.697 179.389 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.6 -39.98 90.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 110.117 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.633 ' ND1' ' HZ1' ' B' ' 55' ' ' LYS . 2.9 p-80 -59.12 -37.54 77.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.723 -1.235 . . . . 0.0 108.939 -179.323 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.593 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.294 -0.879 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -60.02 -39.94 87.6 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.971 -1.081 . . . . 0.0 108.345 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 22.8 tp -72.57 -26.38 61.7 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.679 0.752 . . . . 0.0 108.974 179.044 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.457 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 20.9 mmt -65.0 -24.17 67.43 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.961 -1.087 . . . . 0.0 109.936 179.168 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.7 p90 -39.98 -46.71 2.12 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.297 -0.877 . . . . 0.0 110.577 -178.043 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.57 ' HZ2' ' C ' ' B' ' 79' ' ' MET . 42.8 pttt -80.0 -29.2 39.4 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 109.761 -179.941 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 82.7 p -60.29 -30.06 69.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.078 -1.014 . . . . 0.0 109.354 -179.47 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.406 -0.809 . . . . 0.0 . -179.599 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 ptm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.421 0.629 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t 62.08 19.46 10.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.324 -0.86 . . . . 0.0 109.552 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.73 -7.31 55.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.758 0.79 . . . . 0.0 109.079 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.02 -21.87 1.39 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.757 -0.59 . . . . 0.0 110.098 -178.536 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.7 -38.32 80.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.44 -1.412 . . . . 0.0 108.98 179.543 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -69.33 -36.91 77.41 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.55 88.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.538 -0.726 . . . . 0.0 111.091 -178.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.9 mtt -65.1 -39.96 93.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.025 -1.047 . . . . 0.0 109.16 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.66 -38.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.28 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.76 -0.587 . . . . 0.0 111.295 -178.561 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.616 -1.303 . . . . 0.0 108.222 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.54 -39.12 78.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.754 -0.591 . . . . 0.0 110.356 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 57.9 t0 -59.98 -45.85 91.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.092 -1.005 . . . . 0.0 111.545 -177.913 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -36.53 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.091 -1.006 . . . . 0.0 110.126 -178.54 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.8 -40.01 65.96 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.14 -22.84 57.89 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 111.505 -179.201 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.937 -1.102 . . . . 0.0 111.404 -177.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 15.6 p90 -119.08 -23.16 6.93 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 121.163 -0.961 . . . . 0.0 111.353 -179.162 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.43 -43.32 77.4 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.645 -1.285 . . . . 0.0 110.138 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -3.54 65.18 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.618 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 20' ' ' ARG . 18.8 ttt-85 -59.94 -44.92 94.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -1.082 . . . . 0.0 109.945 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.2 tp10 -114.3 158.89 20.83 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.617 -0.677 . . . . 0.0 109.544 -179.221 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . -40.95 -20.01 0.03 OUTLIER Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.429 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m-20 -71.73 46.82 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.934 -1.333 . . . . 0.0 109.116 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 22' ' ' GLY . 76.6 tttt -70.83 -45.3 64.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.935 -1.103 . . . . 0.0 110.342 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -77.62 -20.1 54.43 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.272 -0.893 . . . . 0.0 110.984 -178.281 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' O ' ' O ' ' A' ' 23' ' ' ASP . 26.0 pttm -134.62 159.7 40.42 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.184 -0.948 . . . . 0.0 108.494 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -112.48 130.17 56.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.201 -0.937 . . . . 0.0 108.883 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.7 tttm -103.68 145.45 30.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.117 -0.99 . . . . 0.0 109.189 -179.493 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LYS . 49.1 pttt -40.59 -23.41 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.802 0.811 . . . . 0.0 109.366 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.12 -50.57 32.11 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.977 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.12 -32.94 72.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.012 -1.055 . . . . 0.0 108.856 179.426 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.0 -40.23 88.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.46 -38.51 90.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.641 -0.662 . . . . 0.0 109.404 179.09 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.02 -39.9 93.84 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.0 110.245 -178.378 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -44.93 69.49 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 120.342 -1.474 . . . . 0.0 108.941 -179.863 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.0 mt -70.79 -42.61 77.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 120.873 -1.142 . . . . 0.0 111.318 -177.611 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.3 t-20 -82.15 -33.43 29.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.518 -1.364 . . . . 0.0 112.032 -177.797 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 -36.13 9.58 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.311 -0.868 . . . . 0.0 113.133 -177.201 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.62 -21.18 22.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.372 -1.455 . . . . 0.0 110.165 -177.724 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -115.4 58.14 0.73 Allowed 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -60.07 -40.5 89.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.383 -0.823 . . . . 0.0 111.09 -178.363 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -135.52 -14.2 1.95 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.055 -1.028 . . . . 0.0 110.562 -179.421 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 t80 -66.95 -38.62 86.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.841 -1.162 . . . . 0.0 109.145 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -127.06 162.17 26.7 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.254 -0.904 . . . . 0.0 108.591 179.734 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 6.4 pt-20 -54.97 109.23 0.49 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.059 -1.026 . . . . 0.0 109.53 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.87 140.23 57.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.088 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.4 mm -86.79 136.67 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.048 -1.033 . . . . 0.0 108.969 -179.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -108.15 -27.4 10.1 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.354 -0.841 . . . . 0.0 109.145 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -120.96 139.99 52.49 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.636 -0.665 . . . . 0.0 109.849 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.36 -21.0 66.23 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.063 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.6 pt-20 -58.4 -39.45 79.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 109.473 -178.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 82.5 t -60.04 -36.1 65.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.487 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.53 -35.78 71.84 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.793 -179.401 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.46 -37.37 84.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.3 -39.99 81.86 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.78 -32.89 60.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.609 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.586 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.3 mmm -70.19 -28.64 65.47 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.224 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.9 -39.95 83.02 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.057 -1.652 . . . . 0.0 106.961 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 m -83.82 -40.02 19.24 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.762 -0.586 . . . . 0.0 110.826 179.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.8 tp -86.75 -18.75 30.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.3 -177.553 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.6 t0 -81.09 63.49 5.47 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 177.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -57.86 -39.93 78.96 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -69.98 -16.75 63.23 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.19 74.6 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 27.6 p-10 -107.12 8.75 30.34 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.274 -1.133 . . . . 0.0 110.264 -179.533 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.29 5.65 87.57 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.429 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 78.6 mt-10 -139.5 148.79 43.15 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 13.0 p -115.29 131.05 57.05 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.81 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' PHE . 95.6 m-20 -71.63 160.01 33.4 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.356 -0.84 . . . . 0.0 109.41 -178.84 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.5 t80 -47.65 -39.1 16.26 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.042 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.9 -50.99 71.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.62 -0.675 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -61.61 -41.3 97.27 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.084 -1.01 . . . . 0.0 110.409 -178.502 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 47.5 t80 -60.0 -38.54 82.94 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.387 -0.821 . . . . 0.0 110.066 179.274 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.9 mmm -59.92 -37.99 81.06 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.739 -0.601 . . . . 0.0 110.871 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.81 76.27 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.558 -1.257 . . . . 0.0 110.702 -178.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.089 -1.007 . . . . 0.0 109.788 -179.642 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -39.23 81.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-O 121.507 0.67 . . . . 0.0 109.523 -179.748 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.615 ' HG ' ' C ' ' B' ' 74' ' ' MET . 2.9 t -61.88 -40.93 97.08 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.57 -0.706 . . . . 0.0 110.465 -178.414 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 mtm -70.41 -43.81 69.23 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.541 -178.788 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.01 -39.86 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.192 -0.943 . . . . 0.0 110.32 -178.4 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.02 -40.01 87.85 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -51.52 -38.53 54.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.751 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.55 87.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.325 -0.86 . . . . 0.0 108.907 178.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 88' ' ' PHE . 25.3 t -59.95 -38.61 82.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 109.801 -179.66 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.35 -39.59 83.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.887 -1.133 . . . . 0.0 109.057 -179.527 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -37.81 80.84 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.86 -23.96 20.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.197 -0.94 . . . . 0.0 109.186 179.766 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -90.27 64.68 6.1 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -80.01 102.94 9.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 108.485 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -60.02 -39.54 86.19 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 55.6 mp0 . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.599 -0.688 . . . . 0.0 . 179.371 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 8.5 ptm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t 61.89 19.36 10.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.556 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.71 -7.33 55.13 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.727 0.775 . . . . 0.0 109.126 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.11 -21.69 1.38 Allowed 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.737 -0.602 . . . . 0.0 110.238 -178.562 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.81 -38.62 80.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.453 -1.405 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -69.0 -37.03 78.49 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.24 87.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.518 -0.739 . . . . 0.0 111.145 -178.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.1 mtt -65.38 -39.97 92.9 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.975 -1.078 . . . . 0.0 109.127 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.0 t -64.61 -38.21 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.35 -179.531 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.18 85.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.76 -0.588 . . . . 0.0 111.334 -178.555 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.92 -39.94 87.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.619 -1.301 . . . . 0.0 108.244 -179.311 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.8 -38.98 77.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.672 -0.643 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.04 -45.91 91.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.106 -0.996 . . . . 0.0 111.456 -177.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -36.49 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.048 -1.033 . . . . 0.0 110.148 -178.576 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.01 -40.0 66.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.153 -0.967 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.11 -22.91 57.92 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 111.534 -179.231 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.863 -1.148 . . . . 0.0 111.421 -177.29 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -118.91 -23.12 7.04 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.127 -0.983 . . . . 0.0 111.352 -179.128 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -68.45 -43.63 76.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.687 -1.258 . . . . 0.0 110.146 -179.439 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.75 -3.52 63.68 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' B' ' 20' ' ' ARG . 19.1 ttt-85 -60.06 -44.84 94.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -1.081 . . . . 0.0 110.019 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.3 tp10 -114.28 158.87 20.84 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.595 -0.691 . . . . 0.0 109.525 -179.284 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . -41.01 -19.99 0.03 OUTLIER Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.435 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 21' ' ' GLU . 83.7 m-20 -71.76 47.23 0.13 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.858 -1.377 . . . . 0.0 109.031 -179.815 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' B' ' 22' ' ' GLY . 76.3 tttt -71.19 -45.11 64.09 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -77.61 -20.37 54.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.207 -0.933 . . . . 0.0 111.025 -178.328 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.0 pttm -134.33 159.79 39.93 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.137 -0.977 . . . . 0.0 108.37 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -112.44 130.3 56.03 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 108.816 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.2 tttm -103.83 145.19 30.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.139 -0.976 . . . . 0.0 109.251 -179.518 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 47.5 pttt -40.4 -23.48 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.783 0.801 . . . . 0.0 109.454 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -70.88 -50.75 31.74 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.954 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.94 -33.22 73.37 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 108.84 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.95 -40.03 87.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.332 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.54 -38.48 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.572 -0.705 . . . . 0.0 109.29 179.136 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.98 -39.99 94.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.312 -0.868 . . . . 0.0 110.276 -178.323 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.51 -45.07 69.74 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 120.452 -1.405 . . . . 0.0 108.935 -179.914 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -70.73 -42.71 77.67 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 120.94 -1.1 . . . . 0.0 111.436 -177.548 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.4 t-20 -82.15 -33.39 29.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.541 -1.349 . . . . 0.0 112.012 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.68 -35.99 9.64 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 121.34 -0.85 . . . . 0.0 113.21 -177.245 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -89.77 -21.17 22.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.433 -1.417 . . . . 0.0 110.177 -177.738 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.5 mt -115.39 58.25 0.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -40.48 89.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.398 -0.813 . . . . 0.0 111.092 -178.388 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -135.71 -14.3 1.9 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.036 -1.04 . . . . 0.0 110.54 -179.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 2.5 t80 -66.87 -38.68 86.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.88 -1.138 . . . . 0.0 109.134 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -126.86 162.42 25.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.177 -0.952 . . . . 0.0 108.581 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 6.3 pt-20 -55.41 109.33 0.53 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.974 -1.079 . . . . 0.0 109.49 -179.48 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.86 140.3 57.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 109.14 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.438 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 5.3 mm -86.91 136.46 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 108.928 -179.713 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -108.09 -27.04 10.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.388 -0.82 . . . . 0.0 109.168 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.26 139.98 52.67 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.574 -0.704 . . . . 0.0 109.874 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.36 -21.27 66.24 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.0 pt-20 -58.2 -39.58 79.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.159 -0.963 . . . . 0.0 109.46 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.409 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 78.2 t -60.02 -36.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.149 -0.97 . . . . 0.0 108.524 179.496 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.2 t -68.62 -35.75 71.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 120.009 -0.677 . . . . 0.0 109.761 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.4 -37.36 85.06 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.296 -0.878 . . . . 0.0 109.718 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -68.25 -40.03 82.06 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 t -65.91 -32.78 59.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.4 mmm -70.23 -28.69 65.45 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.182 179.39 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -58.69 -40.02 82.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.085 -1.634 . . . . 0.0 107.044 178.644 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.9 m -83.87 -40.0 19.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.826 -0.546 . . . . 0.0 110.873 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.0 tp -86.77 -18.77 30.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.116 -0.99 . . . . 0.0 110.264 -177.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' B' ' 57' ' ' MET . 51.7 t0 -80.97 63.57 5.4 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.886 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -57.92 -39.99 79.31 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -178.545 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.6 30.17 74.62 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.523 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 27.2 p-10 -107.25 8.82 30.11 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.233 -1.157 . . . . 0.0 110.308 -179.513 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.24 5.67 87.49 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.438 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 78.9 mt-10 -139.37 148.87 43.46 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.599 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.7 p -115.4 130.82 57.01 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.808 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 70' ' ' PHE . 95.4 m-20 -71.39 159.98 33.58 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 -178.845 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 69' ' ' ASP . 4.6 t80 -47.71 -38.82 16.0 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.37 -50.56 72.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.644 -0.66 . . . . 0.0 109.967 178.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -61.8 -41.2 97.44 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.111 -0.993 . . . . 0.0 110.405 -178.656 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 48.4 t80 -60.15 -38.48 83.25 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.344 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.615 ' C ' ' HG ' ' A' ' 78' ' ' SER . 79.8 mmm -59.94 -38.34 82.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.763 -0.585 . . . . 0.0 110.755 -177.58 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.67 76.42 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.493 -1.283 . . . . 0.0 110.752 -178.349 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.608 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -39.1 81.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 121.471 0.653 . . . . 0.0 109.554 -179.8 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -61.95 -40.95 97.3 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.614 -0.679 . . . . 0.0 110.403 -178.381 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.3 mtm -70.46 -44.06 68.55 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.04 -39.58 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.288 -178.405 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -39.97 87.61 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.54 ' H ' ' HG1' ' B' ' 82' ' ' THR . 2.2 m -51.65 -38.45 54.86 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.772 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.52 87.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 108.949 178.689 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 88' ' ' PHE . 24.8 t -60.06 -38.53 83.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.432 -0.793 . . . . 0.0 109.828 -179.643 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.43 -39.5 83.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.914 -1.116 . . . . 0.0 109.117 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -37.81 80.79 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.062 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -90.77 -24.03 20.47 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.175 -0.953 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.0 OUTLIER -90.28 64.62 6.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.541 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.93 102.81 9.41 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 108.542 179.858 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -59.92 -39.62 86.07 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 55.5 mp0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.597 -0.689 . . . . 0.0 . 179.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . 0.641 ' CD2' ' H ' ' X' ' 94' ' ' LEU . 57.3 t60 48.79 -139.3 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 0.0 109.382 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.641 ' H ' ' CD2' ' X' ' 93' ' ' HIS . 9.6 mp 54.06 49.48 18.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.216 -0.927 . . . . 0.0 109.018 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.54 129.19 47.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t -146.68 103.46 3.65 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.017 -1.052 . . . . 0.0 109.536 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.82 -42.59 97.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -63.07 -39.08 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.245 -0.909 . . . . 0.0 110.161 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.19 117.51 4.69 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.728 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -138.74 150.24 45.92 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.369 -1.077 . . . . 0.0 109.505 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 90.0 p -66.81 -24.89 66.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.794 . . . . 0.0 109.312 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.55 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 6.5 t -46.17 -25.04 0.53 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.639 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 79.7 p -60.03 -28.53 67.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.015 -1.053 . . . . 0.0 109.814 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER -59.94 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.259 -0.9 . . . . 0.0 110.376 -179.494 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.8 OUTLIER -58.85 -34.75 71.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.683 -1.261 . . . . 0.0 109.53 -178.976 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 86.1 tttt -59.96 -37.69 80.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.062 -1.024 . . . . 0.0 108.261 179.005 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.64 -40.01 68.56 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 108.59 -179.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.03 -27.02 60.74 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.46 -0.775 . . . . 0.0 110.296 179.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.421 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.4 mmt -53.8 -24.51 15.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.664 -1.273 . . . . 0.0 109.385 -179.056 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.448 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.8 p90 -42.18 -37.01 1.33 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.323 -0.861 . . . . 0.0 110.173 -178.906 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.448 ' HG3' ' CZ ' ' X' ' 110' ' ' PHE . 4.7 mtmp? -79.56 -37.56 36.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.849 -1.157 . . . . 0.0 109.479 177.802 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 76.8 p -59.28 -31.14 68.84 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 73.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.428 -0.795 . . . . 0.0 . 178.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.65 ' CD2' ' H ' ' Y' ' 94' ' ' LEU . 58.0 t60 48.94 -139.2 0.8 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.65 ' H ' ' CD2' ' Y' ' 93' ' ' HIS . 9.6 mp 53.98 49.49 18.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.145 -0.972 . . . . 0.0 109.037 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.52 129.27 47.55 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.341 -0.849 . . . . 0.0 109.023 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 16.8 t -146.7 103.05 3.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.053 -1.029 . . . . 0.0 109.6 179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.35 -42.91 96.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.788 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -63.03 -39.12 93.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.897 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.02 117.28 4.65 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.59 150.56 46.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.408 -1.054 . . . . 0.0 109.544 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 87.7 p -67.05 -24.92 66.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.373 -0.829 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 6.8 t -46.15 -25.05 0.53 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.353 -0.842 . . . . 0.0 109.615 -179.716 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' Y' ' 104' ' ' ARG . 79.5 p -59.99 -28.5 67.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -0.994 . . . . 0.0 109.814 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.476 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -59.92 -40.0 87.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.244 -0.91 . . . . 0.0 110.403 -179.485 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.647 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.7 OUTLIER -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.72 -1.238 . . . . 0.0 109.508 -178.961 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.647 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.97 -38.2 81.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.34 -40.03 67.65 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.496 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.22 -26.56 60.32 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 179.406 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.43 ' O ' ' OG1' ' Y' ' 112' ' ' THR . 16.1 mmt -54.19 -24.5 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.517 -1.364 . . . . 0.0 109.389 -179.218 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.8 p90 -42.08 -36.98 1.28 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.408 -0.808 . . . . 0.0 110.239 -178.925 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.452 ' HG3' ' CZ ' ' Y' ' 110' ' ' PHE . 4.5 mtmp? -79.69 -37.2 36.3 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.778 -1.201 . . . . 0.0 109.526 177.815 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 82.0 p -59.97 -30.15 68.9 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.776 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 73.3 mm-40 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.456 -0.777 . . . . 0.0 . 178.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.466 ' C ' ' N ' ' A' ' 2' ' ' GLU . 78.6 mtm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 0' ' ' MET . 53.3 p 51.21 14.63 0.23 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.214 -0.929 . . . . 0.0 108.858 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 0' ' ' MET . 82.8 tt0 -70.03 -1.47 9.9 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.833 0.825 . . . . 0.0 109.153 179.614 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.0 -36.53 77.39 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.29 -0.881 . . . . 0.0 112.34 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.91 -39.99 87.3 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.451 -1.405 . . . . 0.0 109.61 -178.486 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.345 -0.847 . . . . 0.0 109.763 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.91 83.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 0.0 110.801 -178.75 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -62.45 -40.01 95.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 109.438 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.03 -38.76 82.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.0 94.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.875 -0.515 . . . . 0.0 111.724 -178.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.07 -40.0 87.99 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.567 -1.333 . . . . 0.0 108.486 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.73 -38.81 79.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.723 -0.61 . . . . 0.0 110.522 -179.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.99 -40.01 94.32 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.653 -1.279 . . . . 0.0 110.611 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -38.84 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.286 -0.884 . . . . 0.0 109.149 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' O ' ' OG ' ' A' ' 18' ' ' SER . 58.9 t80 -51.56 -39.99 58.89 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.918 -1.114 . . . . 0.0 108.577 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -80.03 -22.18 42.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 0.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -52.7 -48.28 66.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.898 -1.126 . . . . 0.0 110.402 -178.313 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' OH ' ' CD1' ' A' ' 35' ' ' LEU . 20.8 p90 -111.19 -25.64 9.61 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.418 -0.801 . . . . 0.0 111.806 -178.434 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 57.5 m -60.03 -39.97 87.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.519 -1.363 . . . . 0.0 109.953 -178.404 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -2.37 77.85 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 69.2 ttt180 -59.96 -49.71 76.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.18 -1.188 . . . . 0.0 109.772 -179.664 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.01 -76.03 0.42 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.116 -0.99 . . . . 0.0 109.791 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.36 -22.25 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.298 -1.43 . . . . 0.0 110.696 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 26' ' ' LYS . 62.5 m-20 -77.75 70.19 4.09 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.594 -1.533 . . . . 0.0 108.896 -179.842 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.71 -40.54 95.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.917 -179.676 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.535 ' H ' ' ND1' ' A' ' 25' ' ' HIS . 30.7 p-80 -90.03 -0.25 57.49 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.979 -1.075 . . . . 0.0 111.368 -178.316 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' ASP . 25.8 ttmt -149.25 154.62 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.666 -1.271 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.7 mt -117.43 137.94 52.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.505 -0.747 . . . . 0.0 109.52 179.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.1 ttmt -108.04 147.91 30.49 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.273 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.9 ttmp? -38.76 -25.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.696 0.76 . . . . 0.0 109.186 179.505 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LYS . 79.4 p -78.28 -46.88 19.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.279 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 98.0 mt-10 -69.96 -35.35 74.39 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.372 -0.83 . . . . 0.0 108.827 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.426 -0.797 . . . . 0.0 109.168 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 63.1 mm-40 -60.94 -36.34 79.08 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' CD1' ' OH ' ' A' ' 17' ' ' TYR . 3.1 tt -59.98 -52.89 63.47 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-O 122.557 1.17 . . . . 0.0 108.173 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.62 -45.97 27.99 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.221 -0.924 . . . . 0.0 112.762 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' OG ' ' A' ' 41' ' ' SER . 22.7 t-20 -73.06 -36.33 66.86 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.881 -1.137 . . . . 0.0 112.34 -176.864 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.446 HD21 ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -97.05 -37.1 10.28 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.568 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -98.14 -20.94 17.01 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 120.411 -1.43 . . . . 0.0 111.796 -177.77 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -129.31 56.52 1.69 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.26 -0.9 . . . . 0.0 109.018 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 44' ' ' LEU . 8.1 m -78.89 -67.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 109.917 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -78.49 -39.97 36.73 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.948 . . . . 0.0 110.63 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.2 -35.86 78.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.186 -0.946 . . . . 0.0 110.329 -178.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 34.4 tp -128.34 159.88 33.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.322 -0.861 . . . . 0.0 108.745 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.65 107.6 0.27 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.03 -1.044 . . . . 0.0 109.09 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.63 145.17 50.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.691 . . . . 0.0 109.276 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.5 mm -80.14 141.05 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 0.0 109.061 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -107.34 -21.93 12.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.533 -0.729 . . . . 0.0 109.288 -179.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.34 154.06 45.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.28 -0.888 . . . . 0.0 110.664 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -68.62 -22.51 64.43 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.1 -39.13 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.14 -0.975 . . . . 0.0 110.409 -179.486 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.26 -40.04 84.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.017 -1.052 . . . . 0.0 108.652 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.75 -39.87 86.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -60.08 -40.01 88.09 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.616 -0.677 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.92 -31.52 54.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.255 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.593 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.7 mmm -70.08 -27.2 64.43 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.422 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.25 -39.87 80.28 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 178.212 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.6 m -79.63 -40.89 28.19 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.666 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 2.8 mp -88.93 -18.04 28.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.13 . . . . 0.0 110.155 -178.268 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.9 t0 -81.66 62.02 5.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.533 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.89 -34.56 73.34 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -79.29 -8.53 59.12 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.57 78.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.87 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.0 p-10 -106.86 2.24 25.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.234 -1.156 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.469 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.97 4.43 89.6 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.232 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 59.1 mt-10 -136.19 134.71 38.47 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.9 p -104.18 129.79 51.94 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.236 -0.915 . . . . 0.0 109.393 179.888 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.02 164.98 24.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.237 -0.915 . . . . 0.0 109.247 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.74 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.031 -1.043 . . . . 0.0 108.465 -179.073 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.51 -37.7 77.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.137 -0.977 . . . . 0.0 108.719 178.56 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 46.3 mt-10 -66.81 -40.03 87.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 0.0 109.027 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.37 -35.64 79.78 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -36.53 77.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.387 0.613 . . . . 0.0 110.441 -178.007 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -68.61 -34.73 76.28 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 118.841 -1.143 . . . . 0.0 110.748 -179.221 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -62.59 -39.23 93.06 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.088 -1.008 . . . . 0.0 110.108 -179.417 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -38.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.284 0.564 . . . . 0.0 110.214 -178.511 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 11.1 p -65.14 -39.72 93.4 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.31 -0.869 . . . . 0.0 109.867 -178.882 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.2 mtp -69.84 -43.04 72.75 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.519 -0.738 . . . . 0.0 112.196 -177.872 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.12 -34.53 55.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 120.823 -1.173 . . . . 0.0 109.98 -178.603 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -62.09 -40.05 94.53 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.09 -39.44 72.13 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.13 86.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.523 -0.736 . . . . 0.0 109.293 178.552 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 88' ' ' PHE . 48.9 t -59.72 -37.86 80.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.495 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.001 -1.062 . . . . 0.0 108.411 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.97 -38.61 83.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.185 -0.947 . . . . 0.0 108.895 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -92.21 -24.45 19.03 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.268 -0.895 . . . . 0.0 111.017 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 4.2 t80 -94.4 23.38 5.24 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 109.168 -179.246 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -87.84 -95.75 0.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 108.834 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -83.16 -10.33 58.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.095 -1.003 . . . . 0.0 108.42 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.487 1.407 0 O-C-N 121.663 -0.648 . . . . 0.0 . -179.656 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.464 ' C ' ' H ' ' B' ' 2' ' ' GLU . 77.9 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 0' ' ' MET . 59.9 p 51.33 14.68 0.25 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.264 -0.897 . . . . 0.0 108.854 -179.501 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' B' ' 0' ' ' MET . 81.7 tt0 -69.95 -1.63 10.21 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.838 0.828 . . . . 0.0 109.123 179.542 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.96 -36.54 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 112.312 -177.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.431 -1.418 . . . . 0.0 109.565 -178.537 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -64.36 -39.96 94.92 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.259 -0.901 . . . . 0.0 109.808 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -39.91 82.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 110.785 -178.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.8 mtt -62.2 -39.97 94.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.037 -1.039 . . . . 0.0 109.477 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.09 -38.86 82.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.05 94.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.83 -0.544 . . . . 0.0 111.708 -178.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.04 -40.06 88.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.666 -1.271 . . . . 0.0 108.474 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -68.91 -38.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.786 -0.571 . . . . 0.0 110.536 -179.247 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.29 -40.03 93.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.621 -1.3 . . . . 0.0 110.59 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -38.74 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.279 -0.888 . . . . 0.0 109.128 -179.431 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 60.8 t80 -51.55 -39.97 58.81 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.003 -1.061 . . . . 0.0 108.615 179.284 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -80.01 -22.28 42.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -52.66 -48.24 66.61 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.85 -1.156 . . . . 0.0 110.5 -178.371 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.414 ' OH ' ' CD1' ' B' ' 35' ' ' LEU . 20.7 p90 -111.19 -25.65 9.6 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.401 -0.812 . . . . 0.0 111.822 -178.511 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 56.4 m -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.487 -1.383 . . . . 0.0 109.971 -178.492 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -2.33 77.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 69.2 ttt180 -59.98 -49.62 76.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -1.153 . . . . 0.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.2 -76.12 0.42 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.155 -0.966 . . . . 0.0 109.766 -179.704 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.09 -22.45 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.349 -1.405 . . . . 0.0 110.712 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 61.1 m-20 -77.6 70.34 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.608 -1.525 . . . . 0.0 108.966 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.99 -40.52 95.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.443 -0.786 . . . . 0.0 110.732 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.536 ' ND1' ' H ' ' B' ' 25' ' ' HIS . 30.8 p-80 -90.08 -0.32 57.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.026 -1.046 . . . . 0.0 111.41 -178.29 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.3 ttmt -149.07 154.75 39.72 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.706 -1.246 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 42.4 mt -117.53 137.95 52.22 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.566 -0.709 . . . . 0.0 109.519 179.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' SER . 33.0 ttmt -108.01 147.82 30.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' B' ' 28' ' ' LYS . 2.0 ttmp? -38.67 -25.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.695 0.76 . . . . 0.0 109.216 179.442 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 28' ' ' LYS . 78.7 p -78.3 -47.02 18.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.235 179.482 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mt-10 -69.94 -35.29 74.4 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.165 -0.96 . . . . 0.0 108.486 179.303 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.99 -40.1 88.02 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.684 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.02 -39.95 87.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.25 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.407 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 63.4 mm-40 -61.04 -36.28 79.13 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.526 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.414 ' CD1' ' OH ' ' B' ' 17' ' ' TYR . 3.1 tt -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 122.604 1.192 . . . . 0.0 108.189 179.406 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.58 -46.03 28.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.146 -0.971 . . . . 0.0 112.764 -177.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.22 -36.18 66.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.868 -1.145 . . . . 0.0 112.421 -176.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.439 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -97.17 -36.87 10.31 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.623 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.3 -21.27 16.74 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.382 -1.449 . . . . 0.0 111.721 -177.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.83 56.41 1.67 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 109.014 -179.606 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' O ' ' B' ' 44' ' ' LEU . 7.3 m -78.94 -67.0 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -78.55 -39.99 36.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.639 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.13 -35.97 78.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.205 -0.934 . . . . 0.0 110.272 -178.783 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 41' ' ' SER . 34.3 tp -128.19 159.79 34.1 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.224 -0.923 . . . . 0.0 108.792 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.51 107.65 0.27 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.981 -1.075 . . . . 0.0 109.147 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 145.08 50.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.565 -0.709 . . . . 0.0 109.3 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mm -80.07 140.91 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 109.139 179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -107.22 -22.04 12.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.568 -0.708 . . . . 0.0 109.313 -179.002 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.36 154.17 45.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.211 -0.931 . . . . 0.0 110.69 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.65 -22.59 64.4 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.045 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -65.0 -39.15 93.03 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.103 -0.998 . . . . 0.0 110.326 -179.468 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.17 -40.0 84.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.999 -1.063 . . . . 0.0 108.659 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.86 -39.96 86.99 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.5 t0 -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.619 -0.675 . . . . 0.0 109.557 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.9 -40.23 96.92 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.77 -31.59 54.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.603 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.2 mmm -70.0 -27.28 64.57 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.489 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.17 -40.01 80.35 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.321 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -79.58 -40.74 28.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.704 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 2.6 mp -89.0 -18.1 28.05 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.294 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.4 t0 -81.62 61.88 5.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.619 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -59.97 -34.38 73.2 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.519 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.36 -8.45 59.09 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.507 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.81 31.63 78.91 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.07 2.27 24.87 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.265 -1.138 . . . . 0.0 110.431 -179.178 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.51 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.71 4.69 89.45 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.411 -1.875 . . . . 0.0 108.411 -179.152 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.5 mt-10 -136.1 134.46 38.39 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.5 p -104.08 129.55 51.74 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.259 -0.9 . . . . 0.0 109.385 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -70.92 164.95 24.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.224 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.67 66.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.999 -1.063 . . . . 0.0 108.53 -179.076 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.44 -37.82 77.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 108.674 178.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 46.5 mt-10 -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.062 -1.024 . . . . 0.0 109.129 179.598 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.59 -35.51 79.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.334 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -36.24 76.89 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.386 0.612 . . . . 0.0 110.434 -178.079 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.7 -34.43 75.65 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.821 -1.174 . . . . 0.0 110.807 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.92 -39.0 93.21 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.123 -0.986 . . . . 0.0 110.214 -179.55 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -38.99 79.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-O 121.264 0.554 . . . . 0.0 110.116 -178.598 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 11.7 p -65.03 -39.89 94.01 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 -178.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 42.4 mtp -69.78 -42.75 73.39 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.73 . . . . 0.0 112.13 -177.752 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.61 -34.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.828 -1.17 . . . . 0.0 109.944 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -40.02 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -39.44 72.04 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.59 87.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.595 -0.691 . . . . 0.0 109.337 178.518 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' B' ' 88' ' ' PHE . 42.8 t -59.61 -37.64 79.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.479 -0.763 . . . . 0.0 109.517 -179.141 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.984 -1.073 . . . . 0.0 108.439 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.94 -38.68 83.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -92.01 -24.8 19.1 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.299 -0.876 . . . . 0.0 110.969 -179.012 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 4.2 t80 -94.31 23.52 5.09 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.026 -1.046 . . . . 0.0 109.191 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -87.88 -95.7 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -83.37 -10.12 58.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.106 -0.996 . . . . 0.0 108.333 178.837 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.487 1.391 0 O-C-N 121.654 -0.654 . . . . 0.0 . -179.681 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.251 0.548 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -144.19 152.99 41.63 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.25 -0.906 . . . . 0.0 109.213 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 59.6 tp -140.0 130.03 24.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 109.736 -179.795 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -140.52 42.01 1.88 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.075 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 96' ' ' SER . . . . . 0.464 ' OG ' ' NE2' ' X' ' 100' ' ' GLN . 8.5 t -142.52 166.42 24.73 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.861 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -52.83 141.87 20.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.131 -0.98 . . . . 0.0 109.976 -179.309 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -83.78 138.39 33.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.452 -0.78 . . . . 0.0 109.413 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.56 51.68 2.84 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . 0.464 ' NE2' ' OG ' ' X' ' 96' ' ' SER . 96.7 mt-30 -87.28 -174.76 5.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.023 -1.281 . . . . 0.0 109.892 179.592 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.445 ' O ' ' N ' ' X' ' 103' ' ' SER . 62.7 m -49.67 -24.87 2.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.4 ' C ' ' O ' ' X' ' 101' ' ' SER . 3.0 t -42.22 -25.01 0.06 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.424 -0.798 . . . . 0.0 110.357 -179.192 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.445 ' N ' ' O ' ' X' ' 101' ' ' SER . 32.0 t -60.13 -41.42 92.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.978 -1.076 . . . . 0.0 109.204 179.423 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -63.34 -40.03 96.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.239 -0.913 . . . . 0.0 109.282 179.336 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' X' ' 109' ' ' MET . 5.2 m-70 -59.98 -38.09 81.56 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 108.878 -179.363 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -58.76 -29.53 66.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 40.2 mtmt -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.907 -1.12 . . . . 0.0 108.173 179.37 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.75 -27.13 61.02 Favored 'General case' 0 N--CA 1.506 2.326 0 CA-C-O 121.94 0.876 . . . . 0.0 110.054 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.94 -24.7 64.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.561 -1.337 . . . . 0.0 110.357 -179.42 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.621 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -51.02 -32.37 21.29 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.4 -1.438 . . . . 0.0 110.004 -178.496 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.621 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 1.5 mmpt? -70.01 -40.06 75.47 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.343 -1.473 . . . . 0.0 107.859 177.435 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' X' ' 109' ' ' MET . 68.8 p -60.89 -31.63 71.11 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.672 179.919 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.473 -0.767 . . . . 0.0 . 179.788 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -143.95 153.12 41.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.232 -0.917 . . . . 0.0 109.288 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.6 tp -139.95 130.02 24.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.29 -0.881 . . . . 0.0 109.769 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -140.59 42.04 1.87 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.115 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . 0.514 ' HG ' HE22 ' Y' ' 100' ' ' GLN . 8.5 t -142.65 166.35 24.89 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.762 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -52.84 141.93 20.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.96 -179.265 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -83.92 138.5 33.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.398 -0.814 . . . . 0.0 109.458 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.78 51.6 2.82 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . 0.514 HE22 ' HG ' ' Y' ' 96' ' ' SER . 96.4 mt-30 -87.22 -174.91 5.09 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.026 -1.279 . . . . 0.0 109.86 179.686 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.442 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.7 m -49.6 -24.95 2.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.459 -0.776 . . . . 0.0 109.919 -179.273 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.413 ' C ' ' O ' ' Y' ' 101' ' ' SER . 3.0 t -42.17 -24.98 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.343 -179.237 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.442 ' N ' ' O ' ' Y' ' 101' ' ' SER . 28.2 t -59.97 -41.6 92.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.053 -1.029 . . . . 0.0 109.145 179.43 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.29 -40.05 96.28 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.989 0.899 . . . . 0.0 109.348 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.521 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 5.2 m-70 -60.0 -38.03 81.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.252 -0.905 . . . . 0.0 108.835 -179.38 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -58.93 -29.5 67.16 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.266 -0.896 . . . . 0.0 109.267 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 39.5 mtmt -59.97 -39.83 87.0 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.913 -1.117 . . . . 0.0 108.226 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.01 -26.98 60.73 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 122.002 0.906 . . . . 0.0 110.037 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.0 -24.68 64.67 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.476 -1.39 . . . . 0.0 110.346 -179.448 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.615 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.5 OUTLIER -51.0 -32.47 21.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.371 -1.456 . . . . 0.0 109.928 -178.542 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.615 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 1.5 mmpt? -69.94 -40.64 75.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.293 -1.504 . . . . 0.0 107.783 177.437 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 65.1 p -59.97 -31.62 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.828 179.732 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 . -179.986 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t 53.24 23.09 2.97 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 109.104 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 4' ' ' GLU . 11.5 pt-20 -72.73 -7.97 53.12 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.663 0.744 . . . . 0.0 109.068 179.413 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 tp -42.89 -24.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.477 -0.765 . . . . 0.0 110.84 -178.31 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CZ ' ' B' ' 43' ' ' PHE . 51.3 tp10 -67.4 -40.0 85.59 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.821 -1.174 . . . . 0.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -77.18 -38.94 50.63 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.92 -1.112 . . . . 0.0 110.468 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -43.52 81.1 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 111.041 -178.159 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.7 mtt -61.08 -40.12 92.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.927 -1.108 . . . . 0.0 109.541 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.15 -39.1 84.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.87 88.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.873 -0.517 . . . . 0.0 111.43 -178.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.599 -1.313 . . . . 0.0 107.96 -179.405 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.59 -38.63 80.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 121.777 -0.577 . . . . 0.0 110.288 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -64.22 -40.43 96.04 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.913 -1.117 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.8 -39.33 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.222 -0.923 . . . . 0.0 109.35 -178.712 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -59.89 -40.01 87.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.558 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.55 -33.44 74.95 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.58 -0.7 . . . . 0.0 110.714 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.868 -1.145 . . . . 0.0 110.715 -178.008 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.8 m-85 -91.02 -29.29 17.45 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.668 -1.27 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.1 p -60.1 -40.16 88.67 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.884 -1.135 . . . . 0.0 109.789 -179.333 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.35 -4.45 86.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -60.02 -46.34 89.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.061 -1.258 . . . . 0.0 109.198 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ASP . 98.3 mt-10 -115.6 159.33 21.43 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.609 -0.682 . . . . 0.0 109.321 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -15.12 0.22 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.8 m-20 -83.14 68.52 9.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.757 -1.437 . . . . 0.0 109.843 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.17 -39.93 78.45 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.266 -0.896 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.17 -14.55 59.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.996 -1.065 . . . . 0.0 111.605 -177.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' ASP . 20.7 pttp -146.65 165.2 30.28 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.703 -1.248 . . . . 0.0 110.232 -179.079 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 mt -113.15 135.26 54.01 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.681 -0.637 . . . . 0.0 109.577 -179.794 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.1 tttm -98.84 145.0 27.42 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.882 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 37.3 pttt -41.06 -25.09 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.001 0.905 . . . . 0.0 109.306 -179.182 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 28' ' ' LYS . 41.1 t -79.95 -47.8 14.42 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LYS . 75.3 tt0 -69.16 -35.42 76.3 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.528 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.97 -39.99 87.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.567 -0.708 . . . . 0.0 109.361 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.646 ' HZ3' ' ND2' ' A' ' 37' ' ' ASN . 58.3 tttm -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.431 -0.793 . . . . 0.0 109.658 -179.485 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.159 -0.963 . . . . 0.0 108.817 -179.2 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 7.1 tt -61.75 -48.96 78.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.06 -1.025 . . . . 0.0 109.177 178.679 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.54 -45.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.452 -0.78 . . . . 0.0 112.22 -177.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.646 ' ND2' ' HZ3' ' A' ' 33' ' ' LYS . 4.0 m120 -69.53 -40.03 77.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.8 -1.187 . . . . 0.0 112.427 -176.783 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.68 12.92 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.519 -0.738 . . . . 0.0 112.967 -176.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 16.4 tt0 -81.57 -9.65 59.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.201 -1.562 . . . . 0.0 108.87 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 mt -133.74 57.05 1.82 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.753 -0.592 . . . . 0.0 109.487 -179.401 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -60.02 -40.53 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.678 -178.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -133.14 -18.15 2.32 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.216 -0.928 . . . . 0.0 109.961 -179.756 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' OE1' ' B' ' 4' ' ' GLU . 2.6 t80 -62.08 -40.0 94.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.5 161.88 33.4 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -55.95 112.08 1.1 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.027 -1.046 . . . . 0.0 110.023 -179.359 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.1 139.98 57.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 108.793 179.218 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -69.88 142.0 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.76 -1.212 . . . . 0.0 108.76 -179.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -15.41 14.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.381 -0.824 . . . . 0.0 111.234 -178.442 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 85.9 tt0 -150.0 150.01 31.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.557 -1.339 . . . . 0.0 110.092 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 13.2 mm100 -60.05 -32.97 71.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.603 -0.686 . . . . 0.0 110.934 -179.207 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 20.9 pt-20 -59.98 -37.59 80.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 110.777 -177.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.1 -40.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.845 -1.159 . . . . 0.0 108.447 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.91 -38.87 83.51 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.49 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.06 -37.85 88.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.528 -0.733 . . . . 0.0 109.826 -179.381 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.9 -39.94 91.07 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.502 ' CG2' ' HE2' ' X' ' 105' ' ' HIS . 21.4 t -65.65 -33.05 60.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.272 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.98 -27.69 64.93 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.824 -1.798 . . . . 0.0 106.38 178.622 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.5 m -81.73 -39.87 23.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -87.73 -17.54 31.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -177.892 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 62.2 t0 -81.03 63.93 5.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 178.422 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -59.85 -39.76 86.3 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.491 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -84.95 -1.25 56.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.964 -1.085 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.6 34.77 90.83 Favored Glycine 0 N--CA 1.497 2.729 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.867 178.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.3 p-10 -104.7 1.22 29.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.003 -1.292 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.512 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 76.44 7.79 85.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 -179.398 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.4 mt-10 -137.53 138.55 39.76 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 15.8 p -102.29 128.88 48.64 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.063 -1.023 . . . . 0.0 108.953 179.417 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -80.0 169.95 17.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 -178.718 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.06 -39.75 82.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.923 . . . . 0.0 110.202 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 89.4 mt-10 -69.07 -40.03 78.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.525 -1.359 . . . . 0.0 109.562 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -70.03 -25.01 63.37 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 108.542 179.383 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.03 -39.69 86.75 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.031 0.919 . . . . 0.0 108.64 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.24 76.44 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.008 -179.433 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.06 -39.95 87.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.165 -0.959 . . . . 0.0 110.427 179.734 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -37.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 O-C-N 121.346 -0.847 . . . . 0.0 109.738 -178.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -40.27 84.77 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.174 -1.011 . . . . 0.0 109.025 -179.766 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 91.7 mtp -60.37 -46.91 88.28 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.561 -0.712 . . . . 0.0 112.206 -179.457 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 t -73.83 -28.39 24.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 120.937 -1.102 . . . . 0.0 110.387 -178.286 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.24 -39.95 88.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 108.572 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -39.92 85.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.54 72.17 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.815 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.03 -37.67 80.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.675 -0.641 . . . . 0.0 109.601 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.092 -1.005 . . . . 0.0 109.209 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -69.57 -29.14 66.63 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.368 179.672 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -86.76 -24.79 24.96 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.684 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.42 66.62 3.94 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -80.8 99.17 8.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -82.4 95.14 7.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 0.0 108.748 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 . -179.612 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.5 ptm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.4 t 53.1 23.25 2.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' GLU . 11.1 pt-20 -72.95 -7.81 52.77 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.702 0.763 . . . . 0.0 108.977 179.371 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.7 tp -42.74 -24.64 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 110.746 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.524 ' OE1' ' CZ ' ' A' ' 43' ' ' PHE . 51.6 tp10 -67.29 -39.93 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.789 -1.194 . . . . 0.0 110.347 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -77.17 -39.54 48.62 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.907 -1.12 . . . . 0.0 110.354 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.94 83.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 111.036 -178.235 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 28.0 mtt -60.94 -40.03 91.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.843 -1.16 . . . . 0.0 109.635 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.97 -38.99 83.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.828 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.63 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.797 -0.565 . . . . 0.0 111.409 -178.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.97 -40.0 87.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.593 -1.317 . . . . 0.0 107.908 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.61 -38.53 80.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.722 -0.611 . . . . 0.0 110.273 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.24 -40.35 95.84 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.905 -1.122 . . . . 0.0 111.242 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -39.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.304 -0.872 . . . . 0.0 109.33 -178.761 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.02 -39.99 87.77 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -62.62 -33.45 75.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.575 -0.703 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.928 -1.107 . . . . 0.0 110.739 -177.915 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.435 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 52.3 m-85 -91.13 -29.21 17.41 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.696 -1.253 . . . . 0.0 111.578 -179.147 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -60.06 -40.14 88.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.9 -1.125 . . . . 0.0 109.718 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.37 -4.49 87.04 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.06 -1.259 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -115.37 159.55 20.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.742 . . . . 0.0 109.416 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.61 -15.29 0.28 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.252 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.6 m-20 -83.05 68.67 9.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.794 -1.415 . . . . 0.0 109.884 -179.491 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -69.24 -39.93 78.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.15 -14.55 59.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.057 -1.027 . . . . 0.0 111.543 -177.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.408 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 20.9 pttp -146.66 165.21 30.25 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.618 -1.301 . . . . 0.0 110.228 -179.122 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -113.02 135.3 53.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.783 -0.573 . . . . 0.0 109.561 -179.78 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' B' ' 30' ' ' SER . 54.9 tttm -98.81 145.76 26.62 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 36.7 pttt -41.87 -25.31 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.067 0.936 . . . . 0.0 109.224 -179.028 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.8 t -79.73 -47.65 14.94 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.464 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 77.7 tt0 -69.36 -35.26 75.67 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.607 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.198 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.694 ' HZ3' ' ND2' ' B' ' 37' ' ' ASN . 58.6 tttm -59.9 -40.04 87.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.452 -0.78 . . . . 0.0 109.666 -179.489 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.02 -40.0 87.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.232 -0.918 . . . . 0.0 108.854 -179.221 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.453 ' C ' ' CD2' ' B' ' 35' ' ' LEU . 7.2 tt -61.79 -48.8 78.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.068 -1.02 . . . . 0.0 109.186 178.67 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.75 -45.38 57.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.452 -0.78 . . . . 0.0 112.122 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.694 ' ND2' ' HZ3' ' B' ' 33' ' ' LYS . 3.9 m120 -69.57 -39.99 77.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.783 -1.198 . . . . 0.0 112.341 -176.768 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.76 12.88 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.468 -0.77 . . . . 0.0 112.97 -176.574 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 16.4 tt0 -81.48 -9.65 59.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.158 -1.588 . . . . 0.0 108.888 -178.553 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.0 mt -133.79 57.0 1.82 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.282 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.0 p -60.02 -40.77 90.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.936 -1.103 . . . . 0.0 110.557 -179.011 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -132.9 -18.0 2.4 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.169 -0.957 . . . . 0.0 110.055 -179.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.53 ' CZ ' ' OE1' ' A' ' 4' ' ' GLU . 2.5 t80 -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.032 . . . . 0.0 109.415 -179.772 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.37 161.78 33.61 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.248 -0.908 . . . . 0.0 108.56 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.96 111.7 1.0 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.213 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.72 139.99 57.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 0.0 108.858 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mm -69.9 141.93 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.731 -1.231 . . . . 0.0 108.841 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -15.81 14.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.446 -0.784 . . . . 0.0 111.297 -178.453 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.436 ' OE1' ' OE2' ' B' ' 51' ' ' GLU . 85.8 tt0 -149.96 150.25 31.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.564 -1.335 . . . . 0.0 110.048 -179.551 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.456 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.3 mm100 -60.05 -33.19 71.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.58 -0.7 . . . . 0.0 110.982 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.436 ' OE2' ' OE1' ' B' ' 49' ' ' GLU . 20.7 pt-20 -60.03 -37.29 79.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 0.0 110.757 -177.87 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.19 -40.02 82.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 120.843 -1.16 . . . . 0.0 108.573 -179.837 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.09 -38.76 83.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.81 -38.32 90.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.561 -0.712 . . . . 0.0 109.871 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.71 -40.01 91.8 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.41 ' CG2' ' HE2' ' Y' ' 105' ' ' HIS . 22.3 t -65.45 -33.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.297 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -70.02 -27.58 64.79 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.592 -179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 119.814 -1.804 . . . . 0.0 106.398 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.0 m -81.65 -39.98 23.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.907 -0.495 . . . . 0.0 110.632 178.753 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.437 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 0.8 OUTLIER -87.76 -17.55 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.166 -0.959 . . . . 0.0 110.594 -177.658 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 62.0 t0 -80.96 63.86 5.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 178.371 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.74 -39.99 86.58 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.452 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 47.4 p-10 -84.68 -1.06 55.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.997 -1.065 . . . . 0.0 109.511 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.18 34.74 90.77 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 120.099 -1.048 . . . . 0.0 111.031 178.641 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.2 p-10 -104.48 1.17 29.65 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.043 -1.269 . . . . 0.0 109.655 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.545 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 76.48 7.89 85.58 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.408 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.6 mt-10 -137.47 138.31 39.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.903 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 15.6 p -102.12 128.74 48.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.049 -1.032 . . . . 0.0 108.982 179.386 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -80.03 170.0 17.07 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.473 -0.767 . . . . 0.0 110.43 -178.742 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -54.16 -39.99 67.05 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.796 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.23 -39.37 82.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.288 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.7 mt-10 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.524 -1.36 . . . . 0.0 109.518 -179.823 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -70.0 -25.01 63.4 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.147 -0.971 . . . . 0.0 108.449 179.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.01 -39.71 86.72 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.052 0.929 . . . . 0.0 108.656 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.33 76.82 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.042 -1.036 . . . . 0.0 110.151 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.092 -1.005 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -37.68 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.452 -0.78 . . . . 0.0 109.754 -178.881 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.07 84.2 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.033 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.9 mtp -60.28 -47.1 87.47 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.595 -0.691 . . . . 0.0 112.241 -179.487 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 t -73.69 -28.72 25.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 120.958 -1.089 . . . . 0.0 110.36 -178.342 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.122 -0.986 . . . . 0.0 108.564 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.407 ' H ' ' HG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -59.53 -40.05 85.93 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.758 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.57 72.11 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.02 -37.82 80.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.658 -0.651 . . . . 0.0 109.673 179.496 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -60.04 -39.93 87.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.232 -179.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.51 -29.36 66.97 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.272 -0.893 . . . . 0.0 109.395 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -86.58 -24.83 25.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 108.56 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.35 66.47 3.96 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.367 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -80.42 98.83 7.68 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.173 -0.954 . . . . 0.0 109.199 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -82.34 95.31 7.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.341 -0.849 . . . . 0.0 . -179.538 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' X' X ' 92' ' ' SER . . . . . 0.43 ' H2 ' ' H ' ' X' ' 93' ' ' HIS . 10.1 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . 0.43 ' H ' ' H2 ' ' X' ' 92' ' ' SER . 78.9 t60 -100.04 121.27 41.11 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 109.378 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.15 129.98 34.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.491 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -60.65 -39.98 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.913 . . . . 0.0 109.351 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 7.3 t 59.86 40.05 19.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 109.387 -179.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -79.1 130.07 35.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.396 -0.815 . . . . 0.0 109.163 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.09 146.4 24.32 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.571 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.29 34.5 5.83 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -75.49 147.96 39.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -1.164 . . . . 0.0 109.722 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.455 ' O ' ' N ' ' X' ' 103' ' ' SER . 24.0 m -62.12 -25.37 67.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.227 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.402 ' C ' ' O ' ' X' ' 101' ' ' SER . 6.8 t -43.36 -24.52 0.1 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.725 . . . . 0.0 109.095 179.664 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.455 ' N ' ' O ' ' X' ' 101' ' ' SER . 47.4 t -56.91 -39.15 73.91 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.71 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.843 -1.161 . . . . 0.0 108.842 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.587 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 36.1 t-80 -60.09 -37.83 81.12 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.019 -1.051 . . . . 0.0 108.398 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -57.4 -32.28 66.69 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 31.2 mtmm -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.666 -1.271 . . . . 0.0 108.818 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.97 -29.29 66.36 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.148 -0.97 . . . . 0.0 109.309 179.664 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -61.71 -24.62 66.9 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.545 -1.347 . . . . 0.0 109.734 179.595 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -50.84 -26.13 5.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.585 -1.322 . . . . 0.0 108.263 -179.781 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.566 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.4 tppt? -76.77 -40.05 49.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.707 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' X' ' 109' ' ' MET . 47.8 p -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.632 179.651 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.528 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -99.99 121.28 41.11 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.36 -0.838 . . . . 0.0 109.444 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 64.4 mt -81.35 130.31 34.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.0 109.499 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -60.68 -39.93 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.438 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 6.4 t 60.06 40.06 19.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -0.792 . . . . 0.0 109.412 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -79.49 129.94 34.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.338 -0.851 . . . . 0.0 109.163 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -94.93 146.21 24.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 -179.545 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.37 34.45 5.83 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 179.87 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -75.51 147.94 39.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -1.133 . . . . 0.0 109.672 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' Y' ' 103' ' ' SER . 25.3 m -62.19 -25.41 67.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 7.1 t -43.39 -24.5 0.1 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.676 0.751 . . . . 0.0 109.162 179.661 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' Y' ' 101' ' ' SER . 47.6 t -56.73 -39.35 73.78 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.589 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.816 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 37.7 t-80 -59.97 -37.69 80.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.083 -1.01 . . . . 0.0 108.413 179.015 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.63 -32.35 67.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.51 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 31.3 mtmm -59.95 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.605 -1.31 . . . . 0.0 108.921 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.01 -29.22 66.23 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.188 -0.945 . . . . 0.0 109.261 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -61.55 -24.64 66.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.517 -1.365 . . . . 0.0 109.777 179.514 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -50.91 -26.12 5.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.604 -1.31 . . . . 0.0 108.285 -179.66 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.567 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -76.86 -40.06 48.96 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.789 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' Y' ' 109' ' ' MET . 52.7 p -60.02 -33.37 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.32 -0.952 . . . . 0.0 108.647 179.596 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.451 ' CA ' ' OE2' ' B' ' 39' ' ' GLU . 3.9 t 61.0 21.73 12.04 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.454 -0.779 . . . . 0.0 109.561 -179.927 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.89 -6.5 49.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.43 -0.793 . . . . 0.0 109.214 179.366 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' GLU . 25.1 tp -42.49 -23.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.719 . . . . 0.0 110.277 -178.785 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLU . 85.6 tt0 -69.91 -39.31 76.26 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.995 -1.066 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -74.93 -32.96 61.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.789 -1.195 . . . . 0.0 109.296 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -45.17 72.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.36 -0.837 . . . . 0.0 110.742 -178.629 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.15 -39.92 91.9 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.181 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.07 -35.81 75.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.504 -0.747 . . . . 0.0 109.739 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.7 -36.15 78.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.397 -0.814 . . . . 0.0 111.217 -178.46 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.97 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.679 -1.263 . . . . 0.0 107.998 -179.355 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.43 -39.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.749 -0.594 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.14 -48.86 79.94 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.869 -1.144 . . . . 0.0 112.28 -178.379 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.01 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.014 -1.053 . . . . 0.0 110.773 -177.816 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.535 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 88.9 t80 -58.66 -36.91 74.9 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.926 -1.109 . . . . 0.0 109.575 -178.916 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.438 ' HE2' ' CD2' ' B' ' 85' ' ' HIS . 41.4 m-70 -69.44 -26.23 64.5 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 110.199 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.98 -42.8 94.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.552 -1.343 . . . . 0.0 110.573 -179.142 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 70.1 m-85 -95.52 -28.99 14.61 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.76 -1.213 . . . . 0.0 112.435 -178.804 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.535 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 50.3 m -60.01 -40.03 87.88 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 120.925 -1.109 . . . . 0.0 109.189 -178.403 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.15 4.52 83.15 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.796 -1.414 . . . . 0.0 110.629 -178.628 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -101.93 0.37 35.24 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.061 -1.024 . . . . 0.0 108.861 179.501 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.64 -3.22 59.1 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -82.3 68.11 8.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.919 -1.342 . . . . 0.0 108.324 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -69.38 -36.02 76.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 110.227 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -77.83 -20.03 53.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 111.233 -178.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -143.8 159.05 43.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.851 -1.156 . . . . 0.0 109.945 -179.068 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 tp -118.14 130.12 55.93 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 63.4 tttp -99.15 144.37 28.36 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 -179.63 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.2 pttm -41.08 -22.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.783 0.801 . . . . 0.0 109.618 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 t -72.11 -55.52 7.18 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.405 0.621 . . . . 0.0 109.617 -179.458 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 17' ' ' TYR . 68.5 mt-10 -62.72 -34.06 76.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.34 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.08 -44.76 94.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.654 -0.654 . . . . 0.0 109.603 -179.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.95 -39.97 96.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.283 -0.885 . . . . 0.0 110.398 179.681 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.19 69.27 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.091 -1.005 . . . . 0.0 109.11 -178.444 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.9 -44.47 63.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.909 -1.119 . . . . 0.0 108.912 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.68 -48.67 63.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.708 -178.296 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.68 -30.66 52.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 112.096 -178.616 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -40.36 8.4 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.099 -1.0 . . . . 0.0 112.893 -177.504 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 7.4 tp10 -87.45 -19.45 27.99 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.29 -1.506 . . . . 0.0 110.711 -177.675 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.9 mt -116.97 48.4 1.32 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 89.5 p -60.1 -40.32 89.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.511 -0.743 . . . . 0.0 111.538 -178.319 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -129.69 -20.63 3.19 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.023 -1.048 . . . . 0.0 110.54 -179.123 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.7 -38.06 89.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.027 -1.046 . . . . 0.0 109.888 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.0 tp -138.71 155.35 48.31 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.046 -1.034 . . . . 0.0 108.221 179.453 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.0 113.87 2.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.67 -1.269 . . . . 0.0 108.667 179.725 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.588 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -67.88 176.95 2.31 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.584 -0.697 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.01 135.41 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -101.73 -20.91 14.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.478 -0.764 . . . . 0.0 110.465 -177.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -117.98 140.09 50.24 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.302 -0.874 . . . . 0.0 110.206 -179.323 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.616 ' NE2' ' N ' ' A' ' 51' ' ' GLU . 2.9 pp0? -71.15 -18.77 62.49 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.522 -0.736 . . . . 0.0 110.009 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.616 ' N ' ' NE2' ' A' ' 50' ' ' GLN . 8.4 pt-20 -65.99 -39.56 90.43 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.011 -1.055 . . . . 0.0 109.661 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.5 t -60.04 -39.91 81.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.681 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.61 -40.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.52 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -61.69 -40.0 93.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.397 -0.814 . . . . 0.0 109.914 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 63.1 tttm -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -179.743 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 t -64.91 -31.63 54.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.5 mmm -70.06 -33.2 71.62 Favored 'General case' 0 C--O 1.195 -1.769 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.79 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.38 -39.07 75.26 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.051 -1.656 . . . . 0.0 107.084 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -73.93 -46.29 45.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.746 -0.596 . . . . 0.0 110.859 179.291 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.2 mt -89.47 -13.03 38.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.175 -178.359 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.1 t0 -79.88 58.54 2.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.25 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 63.2 mt-10 -59.62 -31.85 69.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 75.6 m-20 -77.89 -10.32 59.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.853 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.15 30.05 72.73 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 179.536 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 46.2 p-10 -108.49 9.42 27.5 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.216 -1.167 . . . . 0.0 110.212 -179.56 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.523 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 74.7 9.59 82.75 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.398 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 77.1 mt-10 -139.32 134.73 32.96 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 11.2 p -99.01 129.76 45.31 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.946 -1.097 . . . . 0.0 108.693 179.522 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 5.3 t70 -70.6 166.27 21.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.28 -0.888 . . . . 0.0 109.037 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 10.6 t80 -55.08 -39.9 69.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.024 -1.048 . . . . 0.0 108.925 -179.415 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.7 -35.23 80.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.824 -1.172 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 39.6 mt-10 -68.55 -40.09 80.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.049 -1.032 . . . . 0.0 110.284 -179.329 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -59.97 -39.45 85.7 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.678 -0.639 . . . . 0.0 110.471 -179.434 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.02 -32.55 73.84 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.602 -1.311 . . . . 0.0 110.385 -178.654 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.97 -38.32 82.2 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.098 -1.001 . . . . 0.0 110.123 179.647 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.7 -36.64 77.22 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 O-C-N 121.572 -0.705 . . . . 0.0 110.298 -178.526 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 19.1 p -65.85 -40.07 91.38 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.834 -177.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.0 ptm -75.27 -39.97 59.27 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.313 -178.376 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.61 -37.6 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.664 -1.272 . . . . 0.0 109.604 -179.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.03 87.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 108.954 -179.518 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -54.1 -36.69 63.48 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.03 92.21 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.809 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 m -59.65 -33.9 72.13 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.562 -0.711 . . . . 0.0 109.459 -179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.438 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 42.4 t-80 -59.79 -41.03 90.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.03 -1.044 . . . . 0.0 108.683 179.801 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.05 -39.97 91.84 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.136 -0.978 . . . . 0.0 108.43 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.52 -40.03 70.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.17 59.57 0.76 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.37 102.13 0.13 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.163 -0.961 . . . . 0.0 109.188 -179.682 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -80.21 98.22 7.27 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.465 0.65 . . . . 0.0 109.455 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.536 -0.728 . . . . 0.0 . -179.968 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.449 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 3.7 t 61.15 21.75 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 109.504 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -74.94 -6.37 48.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.485 -0.759 . . . . 0.0 109.189 179.412 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.9 tp -42.49 -23.99 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -178.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.6 tt0 -69.75 -39.24 76.87 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -74.89 -32.99 61.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 109.281 -179.163 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.23 72.91 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.375 -0.828 . . . . 0.0 110.728 -178.698 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 31.0 mtt -61.04 -40.01 91.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 110.222 -179.454 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.03 -35.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.516 -0.74 . . . . 0.0 109.802 -179.711 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.93 -36.03 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 111.326 -178.545 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.665 -1.272 . . . . 0.0 107.84 -179.448 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.23 -40.08 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.93 -48.76 80.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.817 -1.177 . . . . 0.0 112.402 -178.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -39.99 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.93 -1.106 . . . . 0.0 110.7 -177.798 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.541 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 89.4 t80 -58.61 -37.15 75.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.034 -1.041 . . . . 0.0 109.519 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.438 ' HE2' ' CD2' ' A' ' 85' ' ' HIS . 41.6 m-70 -69.28 -26.21 64.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.968 -1.083 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.12 -42.23 94.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.576 -1.327 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 70.0 m-85 -96.05 -29.0 14.36 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.827 -1.17 . . . . 0.0 112.232 -178.795 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.541 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 52.1 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.009 -1.057 . . . . 0.0 109.263 -178.506 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.16 4.45 83.36 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.07 -49.88 75.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.733 -1.451 . . . . 0.0 110.674 -178.479 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -101.9 0.37 35.31 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 108.916 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.74 58.72 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 68.3 m-20 -82.07 68.31 8.41 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.92 -1.341 . . . . 0.0 108.5 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -69.49 -36.1 76.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.392 -0.818 . . . . 0.0 110.258 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -77.9 -19.9 53.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.226 -178.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' B' ' 23' ' ' ASP . 54.1 pttt -143.83 158.78 43.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.859 -1.151 . . . . 0.0 109.95 -179.032 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.86 130.19 56.1 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.562 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' B' ' 30' ' ' SER . 63.3 tttp -99.53 144.24 28.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.874 -1.141 . . . . 0.0 109.859 -179.702 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.1 pttm -40.92 -23.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.785 0.802 . . . . 0.0 109.566 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.526 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.4 t -72.24 -55.37 7.32 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.663 -179.374 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' B' ' 17' ' ' TYR . 67.6 mt-10 -62.77 -34.04 76.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.161 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.05 -45.01 94.26 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.705 -0.622 . . . . 0.0 109.521 -179.249 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.75 -39.97 95.8 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.27 -0.894 . . . . 0.0 110.416 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.09 69.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 109.131 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.8 -44.62 63.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.889 -1.132 . . . . 0.0 108.932 178.323 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.72 -48.55 64.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.81 -0.556 . . . . 0.0 110.671 -178.191 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.2 m-20 -77.63 -30.99 52.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.151 -0.968 . . . . 0.0 112.097 -178.482 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -40.05 8.56 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.1 -1.0 . . . . 0.0 112.848 -177.395 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' A' ' 1' ' ' SER . 6.9 tp10 -87.73 -19.32 27.75 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.369 -1.457 . . . . 0.0 110.741 -177.676 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 11.3 mt -116.92 48.05 1.37 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.71 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 95.0 p -60.05 -40.35 89.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.468 -0.77 . . . . 0.0 111.558 -178.231 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.51 -20.6 3.26 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.953 -1.092 . . . . 0.0 110.633 -179.126 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -63.93 -37.88 89.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.029 -1.044 . . . . 0.0 109.831 -179.276 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -138.83 155.26 48.28 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.464 ' HG2' ' HE ' ' Y' ' 104' ' ' ARG . 86.9 tt0 -60.86 114.09 2.86 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.663 -1.273 . . . . 0.0 108.577 179.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 0.4 OUTLIER -67.91 177.16 2.24 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.512 0.673 . . . . 0.0 109.979 179.941 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.444 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 91.0 mt -109.17 135.39 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -101.78 -21.0 14.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.784 . . . . 0.0 110.424 -177.783 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -117.79 139.98 50.32 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.621 ' NE2' ' N ' ' B' ' 51' ' ' GLU . 2.9 pp0? -71.17 -18.75 62.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.615 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.621 ' N ' ' NE2' ' B' ' 50' ' ' GLN . 8.0 pt-20 -65.93 -39.88 90.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.037 -1.039 . . . . 0.0 109.654 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 70.4 t -60.03 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.738 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.4 -39.93 84.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.571 179.595 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.85 -39.91 93.5 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.397 -0.814 . . . . 0.0 109.921 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.51 -39.99 92.5 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.02 -31.93 56.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.615 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -69.89 -33.17 71.85 Favored 'General case' 0 C--O 1.195 -1.767 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.811 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -57.48 -38.98 75.43 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 120.031 -1.668 . . . . 0.0 107.157 179.219 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -74.0 -46.18 45.22 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.817 -0.552 . . . . 0.0 110.829 179.314 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 40.9 mt -89.64 -13.06 37.88 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.026 -1.046 . . . . 0.0 111.239 -178.362 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -79.79 58.59 2.86 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.225 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 61.4 mt-10 -59.73 -31.82 69.97 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.424 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 75.1 m-20 -77.88 -10.49 59.6 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.41 29.93 72.9 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.581 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 46.1 p-10 -108.32 9.43 27.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.258 -1.142 . . . . 0.0 110.258 -179.66 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.442 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 74.51 9.91 82.21 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.356 -1.898 . . . . 0.0 108.356 -179.448 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 79.6 mt-10 -139.55 134.55 32.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 10.0 p -98.86 129.78 45.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.936 -1.102 . . . . 0.0 108.742 179.651 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 5.5 t70 -70.61 166.36 20.84 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 108.985 -179.191 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.4 t80 -55.15 -39.99 70.09 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.008 -1.058 . . . . 0.0 108.876 -179.468 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.81 -34.83 79.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.802 -1.186 . . . . 0.0 109.86 179.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 40.1 mt-10 -68.82 -40.11 79.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.989 -1.069 . . . . 0.0 110.225 -179.289 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.69 -35.7 80.77 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.695 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -59.96 -39.41 85.53 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.665 -0.647 . . . . 0.0 110.472 -179.253 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.446 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.92 -32.52 73.83 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.566 -1.334 . . . . 0.0 110.376 -178.632 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.06 -38.03 81.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -36.68 77.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 O-C-N 121.553 -0.717 . . . . 0.0 110.246 -178.615 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 20.2 p -65.69 -39.98 91.83 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.96 -178.11 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.7 ptm -75.52 -40.01 57.6 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.859 -1.151 . . . . 0.0 111.322 -178.385 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.44 -37.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.609 -1.307 . . . . 0.0 109.472 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.8 m -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.002 -179.44 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.468 ' H ' ' HG1' ' B' ' 82' ' ' THR . 3.1 m -54.18 -36.61 63.6 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.84 91.78 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.857 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.4 m -59.97 -33.61 72.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.726 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.438 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 41.7 t-80 -60.0 -40.7 90.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.004 -1.06 . . . . 0.0 108.636 179.79 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.22 -40.02 92.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.079 -1.013 . . . . 0.0 108.415 178.739 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.56 -39.75 70.45 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.777 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.52 59.91 0.85 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.777 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.72 101.96 0.13 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.147 -0.971 . . . . 0.0 109.012 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -80.05 98.21 7.14 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.521 0.677 . . . . 0.0 109.445 -179.767 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.496 -0.752 . . . . 0.0 . -179.902 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -88.61 160.75 17.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 0.0 109.102 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' X' X ' 94' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' X' ' 94' ' ' LEU . 3.3 mm? -67.44 141.45 56.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.179 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.409 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 41.9 t -153.79 150.51 28.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.081 -1.012 . . . . 0.0 110.096 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -86.59 172.67 10.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.542 -0.723 . . . . 0.0 109.296 179.669 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.76 -132.86 47.9 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -106.14 173.79 6.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.512 -0.993 . . . . 0.0 109.447 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' X' X ' 101' ' ' SER . . . . . 0.402 ' O ' ' N ' ' X' ' 103' ' ' SER . 41.2 m -49.42 -24.92 2.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.29 -0.881 . . . . 0.0 109.648 -179.907 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 102' ' ' THR . . . . . 0.54 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 58.2 p -44.87 -24.76 0.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.402 -0.811 . . . . 0.0 109.488 -179.916 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 103' ' ' SER . . . . . 0.402 ' N ' ' O ' ' X' ' 101' ' ' SER . 68.5 m -48.13 -24.72 1.2 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 108.732 178.747 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 104' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' X' ' 104' ' ' ARG . 41.3 ttt-85 -59.98 -42.05 93.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.83 -0.544 . . . . 0.0 110.38 -179.474 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 105' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.7 p-80 -60.09 -39.24 85.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.91 -178.849 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 106' ' ' LYS . . . . . 0.611 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 2.1 tmtp? -59.98 -39.22 84.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 110.277 -179.238 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 107' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 18.6 mtpp -60.08 -40.02 88.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 0.0 110.807 -178.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -76.36 -27.15 56.33 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.83 -1.169 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' X' X ' 109' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.1 -24.55 63.05 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.763 -1.211 . . . . 0.0 108.964 -179.684 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' X' X ' 110' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' X' ' 107' ' ' LYS . 0.2 OUTLIER -51.45 -29.06 14.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.417 -1.427 . . . . 0.0 109.655 -179.233 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' X' X ' 111' ' ' LYS . . . . . 0.439 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.5 -1.375 . . . . 0.0 107.585 176.351 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' X' X ' 112' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' X' ' 109' ' ' MET . 41.2 p -60.94 -38.83 87.18 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.755 -179.724 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.848 . . . . 0.0 . -179.451 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' Y' Y ' 92' ' ' SER . . . . . 0.403 ' H1 ' ' H ' ' Y' ' 93' ' ' HIS . 95.2 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 93' ' ' HIS . . . . . 0.403 ' H ' ' H1 ' ' Y' ' 92' ' ' SER . 37.4 m-70 -88.58 161.13 17.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.348 -0.845 . . . . 0.0 109.105 179.745 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' Y' Y ' 94' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' Y' ' 94' ' ' LEU . 3.3 mm? -67.93 141.83 56.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.078 -1.014 . . . . 0.0 109.044 179.775 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.23 -39.95 88.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.122 -0.986 . . . . 0.0 109.365 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 38.5 t -153.54 150.8 29.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.043 -1.036 . . . . 0.0 110.172 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -86.82 172.45 10.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.49 -0.756 . . . . 0.0 109.214 179.592 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.94 -39.94 87.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.102 -0.999 . . . . 0.0 108.577 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.49 -133.01 46.95 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.562 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -105.63 173.89 6.11 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -1.02 . . . . 0.0 109.506 -179.614 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 45.5 m -49.54 -24.81 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.52 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 102' ' ' THR . . . . . 0.53 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 54.1 p -45.05 -24.77 0.26 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.371 -0.83 . . . . 0.0 109.566 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 74.3 m -48.04 -24.69 1.15 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.179 -0.951 . . . . 0.0 108.771 178.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 104' ' ' ARG . . . . . 0.464 ' HE ' ' HG2' ' B' ' 45' ' ' GLU . 41.7 ttt-85 -59.95 -42.2 93.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.857 -0.527 . . . . 0.0 110.392 -179.557 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.8 p-80 -60.02 -39.22 85.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.914 -1.116 . . . . 0.0 109.863 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' Y' Y ' 106' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 2.2 tmtp? -60.0 -39.36 85.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.24 -179.212 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' Y' Y ' 107' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 18.6 mtpp -59.9 -40.01 87.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.943 -1.098 . . . . 0.0 110.828 -178.888 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.56 -26.73 55.42 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.879 -1.138 . . . . 0.0 110.116 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 109' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.4 -24.58 63.58 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.799 -1.188 . . . . 0.0 108.976 -179.806 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' Y' Y ' 110' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' Y' ' 107' ' ' LYS . 0.2 OUTLIER -51.51 -29.14 15.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.433 -1.417 . . . . 0.0 109.577 -179.357 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' Y' Y ' 111' ' ' LYS . . . . . 0.436 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.5 OUTLIER -69.96 -40.3 75.51 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.418 -1.426 . . . . 0.0 107.669 176.42 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 40.8 p -60.15 -38.59 83.6 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.02 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.446 -0.784 . . . . 0.0 . -179.334 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 2' ' ' GLU . 59.3 ttm . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.18 19.99 0.36 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.188 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.506 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 21.3 pt-20 -76.22 26.4 0.12 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -63.73 -30.56 71.65 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.794 -1.192 . . . . 0.0 109.188 -179.292 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.8 -39.98 95.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.321 -0.862 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' A' ' 2' ' ' GLU . 47.6 pttt -73.85 -28.18 61.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.511 -1.368 . . . . 0.0 108.783 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.72 78.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.701 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -68.91 -39.78 79.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.94 -1.1 . . . . 0.0 109.217 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.04 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.565 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -38.88 67.73 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.253 -0.904 . . . . 0.0 110.214 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.595 HD12 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -59.22 -43.4 92.3 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -178.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.9 mt -69.92 -34.62 60.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.715 -0.616 . . . . 0.0 110.416 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 m-20 -60.01 -46.3 89.92 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.845 -1.159 . . . . 0.0 111.67 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -39.94 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.737 -1.227 . . . . 0.0 108.927 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 30.8 t80 -57.45 -38.37 74.33 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.97 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -66.63 -29.65 69.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 110.883 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -60.04 -41.88 93.24 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.871 -1.143 . . . . 0.0 110.414 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -90.52 -40.12 12.17 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.825 -1.172 . . . . 0.0 112.455 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.4 p -60.13 -41.33 92.47 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.83 -1.169 . . . . 0.0 110.39 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.19 -10.2 84.24 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.46 -47.15 87.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.17 -1.194 . . . . 0.0 109.429 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -114.6 172.52 6.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.724 0.773 . . . . 0.0 110.165 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -55.04 -32.98 56.98 Favored Glycine 0 N--CA 1.493 2.437 0 O-C-N 121.705 -0.622 . . . . 0.0 112.032 -178.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 26' ' ' LYS . 6.4 m-20 -70.03 62.83 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.309 -1.701 . . . . 0.0 109.801 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' GLY . 36.0 ttpt -61.77 -39.99 93.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.524 ' CD2' ' HG3' ' A' ' 26' ' ' LYS . 21.2 p-80 -94.67 0.33 54.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -0.951 . . . . 0.0 110.916 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HG3' ' CD2' ' A' ' 25' ' ' HIS . 48.2 mtmt -141.54 154.83 45.71 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.961 -1.087 . . . . 0.0 109.785 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.55 132.2 56.21 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.489 -0.757 . . . . 0.0 109.05 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.8 tttp -98.29 147.27 24.82 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -43.99 -24.25 0.13 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.123 -0.985 . . . . 0.0 109.175 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LYS . 24.4 t -77.13 -50.41 13.07 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.15 -36.88 85.49 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.99 -40.37 88.92 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.596 -0.69 . . . . 0.0 109.399 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 109.79 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.78 -40.11 95.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.138 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.74 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.1 tm? -60.18 -49.86 75.95 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.831 -1.168 . . . . 0.0 108.361 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.63 -49.01 55.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 112.49 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -75.54 -48.12 23.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.614 -1.304 . . . . 0.0 112.62 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -78.61 -47.05 17.9 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 121.483 -0.761 . . . . 0.0 112.855 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.624 -1.297 . . . . 0.0 109.958 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.9 62.57 2.65 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.601 -0.687 . . . . 0.0 110.186 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -137.37 -18.51 1.28 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.255 -0.903 . . . . 0.0 110.423 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -61.39 -39.97 92.65 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.075 . . . . 0.0 110.238 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -129.41 158.79 38.17 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.91 111.94 1.86 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 109.536 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' NH1' ' X' ' 104' ' ' ARG . 34.6 mt-10 -53.58 156.86 2.39 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.864 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.37 128.4 46.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -101.0 -23.17 14.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.164 -0.96 . . . . 0.0 109.26 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 94.5 mt-10 -124.4 139.79 53.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 109.826 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -69.42 -19.78 63.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 109.013 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.2 pt-20 -59.84 -35.48 74.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.905 -1.122 . . . . 0.0 109.183 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.13 -37.78 74.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 t -68.55 -33.36 59.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.5 t0 -65.39 -38.31 89.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.149 0.976 . . . . 0.0 109.502 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 65.6 tttm -69.88 -39.97 75.98 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 122.26 1.029 . . . . 0.0 108.521 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.0 t -67.61 -30.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -38.5 90.37 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.88 -39.89 72.18 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.385 -1.447 . . . . 0.0 107.549 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 m -78.6 -44.82 23.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.675 -0.641 . . . . 0.0 111.479 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.4 mt -89.73 -14.68 34.14 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.849 -1.157 . . . . 0.0 111.31 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.8 t0 -81.29 61.26 4.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -59.83 -40.04 87.12 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 -14.48 60.93 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.21 30.07 76.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -107.08 6.88 29.34 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.246 -1.15 . . . . 0.0 109.689 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.497 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.42 4.83 87.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -136.03 130.05 32.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.854 -0.792 . . . . 0.0 109.058 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 126.98 43.35 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.8 161.86 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.377 -0.827 . . . . 0.0 110.108 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -52.09 -31.95 32.84 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.094 -1.004 . . . . 0.0 109.209 -178.354 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.65 -38.14 80.21 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.421 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.5 mt-10 -68.46 -40.09 81.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.347 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.04 -37.52 82.88 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.428 -0.795 . . . . 0.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.595 ' SD ' HD12 ' A' ' 10' ' ' LEU . 75.6 mmm -60.01 -39.11 84.68 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.225 0.536 . . . . 0.0 110.607 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.2 67.83 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.252 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 80' ' ' VAL . 81.0 t80 -70.01 -23.1 63.07 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.948 -1.095 . . . . 0.0 110.261 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -32.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.2 -0.937 . . . . 0.0 109.85 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -72.11 -40.22 68.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.373 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm -70.36 -42.66 71.54 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.027 -1.046 . . . . 0.0 110.936 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 76' ' ' PHE . 24.5 t -64.95 -36.43 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.476 -1.39 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.8 m -59.81 -39.76 86.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.287 -0.883 . . . . 0.0 108.769 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.488 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.5 m -51.93 -41.98 62.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.3 82.22 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.45 -33.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.705 -0.622 . . . . 0.0 109.843 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -59.94 -41.07 91.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.827 -1.17 . . . . 0.0 108.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 52.6 mp0 -61.77 -39.03 90.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.953 -1.092 . . . . 0.0 108.96 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -81.67 -40.97 22.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.85 . . . . 0.0 110.018 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 31.2 t80 . . . . . 0 C--N 1.303 -1.445 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.415 ' C ' ' N ' ' B' ' 2' ' ' GLU . 58.7 ttm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.466 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.48 19.98 0.43 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.13 -0.981 . . . . 0.0 109.219 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.442 ' OE1' ' NZ ' ' B' ' 5' ' ' LYS . 21.6 pt-20 -76.01 25.59 0.12 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -63.0 -30.85 71.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.823 -1.173 . . . . 0.0 109.16 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.61 -40.01 95.58 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.262 -0.899 . . . . 0.0 111.821 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.442 ' NZ ' ' OE1' ' B' ' 2' ' ' GLU . 48.7 pttt -73.84 -28.14 61.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.525 -1.359 . . . . 0.0 108.804 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -39.26 77.75 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.645 -0.659 . . . . 0.0 110.784 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 25.7 mtt -68.87 -39.87 79.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.919 -1.113 . . . . 0.0 109.137 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.0 -35.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 119.804 -0.759 . . . . 0.0 110.566 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.99 -38.44 66.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.585 HD12 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -59.54 -43.05 93.6 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.93 -34.98 62.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.739 -0.601 . . . . 0.0 110.349 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.503 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 99.1 m-20 -59.98 -46.24 90.1 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.934 -1.104 . . . . 0.0 111.68 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -39.96 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.759 -1.213 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 28.7 t80 -57.76 -37.99 74.61 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.027 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.95 -29.15 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.725 -1.234 . . . . 0.0 110.791 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.581 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 0.3 OUTLIER -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.791 -1.193 . . . . 0.0 110.487 -179.249 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -90.48 -40.06 12.23 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.86 -1.15 . . . . 0.0 112.371 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 p -60.23 -41.21 92.64 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.68 -1.262 . . . . 0.0 110.429 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.97 -10.34 83.94 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.74 -46.8 89.06 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.171 -1.194 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.9 172.51 7.0 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.685 0.755 . . . . 0.0 110.127 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -54.99 -32.76 56.66 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.644 -0.66 . . . . 0.0 111.995 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 6.5 m-20 -70.09 62.83 0.22 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.311 -1.699 . . . . 0.0 109.847 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.6 ttpt -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.163 -0.961 . . . . 0.0 110.358 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.525 ' CD2' ' HG3' ' B' ' 26' ' ' LYS . 20.9 p-80 -94.77 0.31 54.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.173 -0.955 . . . . 0.0 110.816 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.525 ' HG3' ' CD2' ' B' ' 25' ' ' HIS . 49.1 mtmt -141.53 154.86 45.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.986 -1.071 . . . . 0.0 109.824 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.64 131.81 56.18 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.54 -0.725 . . . . 0.0 109.098 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.7 tttp -98.01 147.26 24.69 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 57.3 pttt -43.99 -24.11 0.13 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 22.8 t -77.2 -50.51 12.79 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.13 -36.96 85.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.07 -40.15 88.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.678 -0.639 . . . . 0.0 109.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.17 -40.03 88.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.63 -40.17 96.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 109.26 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.16 -49.68 76.68 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.846 -1.159 . . . . 0.0 108.449 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -70.84 -48.91 54.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.558 -0.714 . . . . 0.0 112.495 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -75.82 -47.97 23.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.654 -1.279 . . . . 0.0 112.603 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.69 -47.01 17.78 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.443 -0.786 . . . . 0.0 112.848 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -69.63 -40.04 76.79 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.534 -1.354 . . . . 0.0 109.858 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.62 62.57 2.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -60.09 -40.13 88.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -137.13 -18.88 1.3 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.23 -0.919 . . . . 0.0 110.506 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.99 -39.87 91.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 110.279 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.57 158.89 38.02 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.97 -1.081 . . . . 0.0 109.526 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.553 ' O ' ' NH1' ' Y' ' 104' ' ' ARG . 30.4 mt-10 -53.47 156.62 2.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.66 0.743 . . . . 0.0 110.003 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' Y' ' 104' ' ' ARG . 5.8 mm -95.15 128.85 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -101.38 -23.11 14.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.21 -0.931 . . . . 0.0 109.384 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 94.7 mt-10 -124.54 140.01 53.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.678 -0.639 . . . . 0.0 109.666 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.89 -19.52 63.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.363 -0.836 . . . . 0.0 108.834 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 8.4 pt-20 -59.82 -35.44 74.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.957 -1.089 . . . . 0.0 109.159 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.08 -37.79 74.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 32.1 t -68.38 -33.52 60.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.4 t0 -65.44 -38.24 89.27 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.083 0.944 . . . . 0.0 109.51 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.613 ' NZ ' ' SD ' ' Y' ' 109' ' ' MET . 64.4 tttm -70.01 -39.95 75.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 122.3 1.048 . . . . 0.0 108.385 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.6 -30.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.595 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.57 -38.3 89.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.77 -39.98 71.98 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.409 -1.432 . . . . 0.0 107.52 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 m -78.8 -44.81 22.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.759 -0.588 . . . . 0.0 111.538 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 29.3 mt -89.59 -14.87 34.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.907 -1.121 . . . . 0.0 111.238 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.7 t0 -81.25 61.38 4.74 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -74.53 -14.16 60.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.14 29.96 75.95 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -107.05 6.92 29.44 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.177 -1.19 . . . . 0.0 109.659 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.09 5.11 86.98 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.84 129.68 32.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.752 -0.852 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.48 127.04 43.12 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -73.01 161.83 30.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 0.0 110.024 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -52.07 -31.95 32.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.079 -1.013 . . . . 0.0 109.234 -178.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.79 -37.67 79.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.803 -1.186 . . . . 0.0 108.448 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 41.7 mt-10 -68.74 -40.15 79.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.081 -1.012 . . . . 0.0 109.179 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.78 -37.81 83.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.488 -0.757 . . . . 0.0 109.876 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.585 ' SD ' HD12 ' B' ' 10' ' ' LEU . 76.3 mmm -59.94 -39.03 84.11 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.216 0.531 . . . . 0.0 110.649 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.92 67.3 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.155 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.543 ' O ' HG23 ' B' ' 80' ' ' VAL . 77.9 t80 -69.96 -23.49 63.18 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.98 -1.075 . . . . 0.0 110.265 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.52 -32.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.231 -0.918 . . . . 0.0 109.808 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -72.1 -40.11 68.41 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 110.394 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.8 ptm -70.56 -42.01 71.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.879 -1.138 . . . . 0.0 111.129 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 76' ' ' PHE . 23.9 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.554 -1.341 . . . . 0.0 109.135 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 39.2 m -59.78 -39.5 85.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -0.875 . . . . 0.0 108.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.494 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.8 m -52.0 -42.13 62.75 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.05 82.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.58 -33.21 71.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -59.89 -40.96 90.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.76 -1.212 . . . . 0.0 108.93 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' B' ' 82' ' ' THR . 53.1 mp0 -62.0 -38.93 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.974 -1.079 . . . . 0.0 108.894 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -81.8 -40.7 22.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.981 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 30.4 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 46' ' ' GLU . 2.9 ptm180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.345 0.593 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.473 ' CG ' ' N ' ' X' ' 106' ' ' LYS . 28.9 p80 -60.16 -39.94 88.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 108.905 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 78.9 tttt -59.91 -31.68 70.05 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.468 -0.77 . . . . 0.0 109.43 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 7.7 ttpm? -59.86 -40.14 87.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.179 . . . . 0.0 108.866 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.15 -24.85 58.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 55' ' ' LYS . 26.7 mmt -60.4 -24.8 65.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.806 -1.184 . . . . 0.0 110.297 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -53.9 -26.24 24.1 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.526 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.9 tppt? -72.7 -41.96 64.73 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.308 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -60.18 -35.31 75.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.462 -0.774 . . . . 0.0 109.631 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 . -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' B' ' 46' ' ' GLU . 2.7 ptm180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' Y' ' 106' ' ' LYS . 28.8 p80 -60.02 -40.12 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.147 -0.971 . . . . 0.0 108.951 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.458 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 78.7 tttt -59.9 -31.62 69.98 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.445 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.429 ' HB3' ' HZ3' ' Y' ' 107' ' ' LYS . 7.6 ttpm? -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.909 -1.119 . . . . 0.0 108.868 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.5 tp -75.31 -24.9 57.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.0 109.315 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.613 ' SD ' ' NZ ' ' B' ' 55' ' ' LYS . 24.6 mmt -60.21 -24.76 65.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.805 -1.185 . . . . 0.0 110.265 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -54.01 -26.33 25.68 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -72.41 -42.4 65.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.8 p -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.48 -0.762 . . . . 0.0 109.719 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 . -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 3' ' ' LEU . 6.3 m 59.76 22.26 11.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.519 -0.738 . . . . 0.0 110.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -76.32 15.52 0.58 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 108.796 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 1' ' ' SER . 59.3 tp -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.616 -0.677 . . . . 0.0 110.303 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.839 -1.163 . . . . 0.0 110.356 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.7 mppt? -71.59 -39.66 70.41 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.248 -0.907 . . . . 0.0 110.281 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.32 83.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.045 -1.035 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.37 -40.0 95.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.165 -0.959 . . . . 0.0 109.945 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.47 -37.84 80.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.58 94.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.951 -0.468 . . . . 0.0 111.702 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.651 -1.281 . . . . 0.0 108.129 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -67.59 -37.66 79.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 O-C-N 121.642 -0.661 . . . . 0.0 111.008 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.18 -40.59 86.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.682 -1.261 . . . . 0.0 111.818 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -40.67 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 70' ' ' PHE . 83.3 t80 -60.03 -39.97 87.7 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.21 -0.931 . . . . 0.0 109.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -64.12 -28.64 69.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.868 -1.145 . . . . 0.0 110.594 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -59.99 -42.7 94.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.809 -1.182 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.19 -40.71 12.69 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.858 -1.151 . . . . 0.0 112.539 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.843 -1.161 . . . . 0.0 110.403 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.81 83.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -60.02 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.046 -1.267 . . . . 0.0 109.889 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.74 -73.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.248 -0.908 . . . . 0.0 109.108 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.97 -24.32 0.05 OUTLIER Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.317 -1.421 . . . . 0.0 110.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.6 m-20 -80.67 84.34 6.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.803 -1.41 . . . . 0.0 109.562 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.04 -39.2 75.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.57 -0.706 . . . . 0.0 110.068 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.42 -0.57 57.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.227 -0.921 . . . . 0.0 110.703 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 20.4 ttpp -148.17 155.25 41.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.768 -1.208 . . . . 0.0 110.016 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.41 136.52 54.12 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 62.2 tttp -106.63 153.24 22.66 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.998 -1.063 . . . . 0.0 110.295 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -23.16 0.37 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 108.689 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 99.0 p -76.88 -48.22 18.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.05 -35.82 78.87 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 tp -60.03 -43.53 95.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.74 -0.6 . . . . 0.0 109.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 65.0 tttm -61.79 -40.0 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.869 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.5 -33.63 74.48 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.963 -1.086 . . . . 0.0 108.774 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 39' ' ' GLU . 4.1 tt -66.0 -51.89 54.29 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.086 -1.009 . . . . 0.0 108.998 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' N ' HD23 ' A' ' 35' ' ' LEU . 94.8 mt -70.03 -42.84 79.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.188 -0.945 . . . . 0.0 111.571 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.1 -40.01 75.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 112.171 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -98.23 -39.95 8.6 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.299 -0.876 . . . . 0.0 112.498 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 70.4 tt0 -70.03 -33.99 72.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.565 -1.335 . . . . 0.0 108.236 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mt -119.87 40.97 3.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.918 -0.489 . . . . 0.0 110.002 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -60.49 -51.21 70.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.981 -1.075 . . . . 0.0 110.351 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.42 -22.85 12.13 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.342 -0.849 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.96 -29.72 66.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.983 -1.073 . . . . 0.0 110.56 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.0 tp -136.02 -144.54 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.119 -0.988 . . . . 0.0 109.221 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -95.12 109.77 21.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 110.229 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 147.32 53.24 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.415 HG21 HG23 ' A' ' 53' ' ' VAL . 6.4 mt -95.17 142.35 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.026 -1.046 . . . . 0.0 109.798 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 -18.98 11.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.732 -0.605 . . . . 0.0 110.143 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -130.1 148.15 51.92 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.275 -0.891 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.5 mm100 -69.72 -24.9 63.63 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 7.7 pt-20 -60.74 -40.0 90.8 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.54 -0.725 . . . . 0.0 111.213 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' X' ' 105' ' ' HIS . 64.9 t -60.56 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.047 -1.033 . . . . 0.0 108.948 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.415 HG23 HG21 ' A' ' 47' ' ' ILE . 64.7 t -65.72 -40.01 86.55 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.537 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.5 -40.07 90.02 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.504 -0.748 . . . . 0.0 110.046 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.8 -39.98 87.95 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.9 -31.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 85.2 mmm -69.98 -30.5 67.86 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 119.449 -0.901 . . . . 0.0 109.034 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -57.3 -39.53 75.95 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.081 -1.637 . . . . 0.0 106.839 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -76.69 -45.16 30.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.756 -0.59 . . . . 0.0 111.381 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 mt -87.96 -16.94 32.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.834 -1.166 . . . . 0.0 110.691 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.0 t0 -79.66 60.53 3.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.66 -39.28 80.18 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.09 -15.87 63.05 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.92 31.79 81.98 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 8.9 p-10 -107.61 7.69 28.76 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.219 -1.165 . . . . 0.0 110.354 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 1.0 87.02 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 14.2 pt-20 -140.33 145.83 37.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.37 139.49 49.43 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.01 170.01 17.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.351 -0.843 . . . . 0.0 109.534 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 15.3 t80 -52.88 -40.63 63.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.028 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.13 -0.981 . . . . 0.0 110.614 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.49 -39.98 92.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.545 -1.347 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.45 -33.05 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.251 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 76.8 mmm -59.84 -36.68 77.34 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.754 -0.591 . . . . 0.0 109.434 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.52 72.47 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.899 -1.126 . . . . 0.0 110.471 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.97 -39.96 87.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.919 -1.113 . . . . 0.0 109.075 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.98 -37.95 74.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-O 121.208 0.528 . . . . 0.0 110.088 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -64.46 -39.98 94.85 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.253 -0.904 . . . . 0.0 109.288 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.0 mtp -67.22 -46.01 75.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.699 -0.625 . . . . 0.0 112.022 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 46.4 t -69.31 -34.15 61.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.825 -1.172 . . . . 0.0 110.277 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -60.76 -40.02 90.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 108.749 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -54.25 -34.65 61.25 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.704 ' HB2' ' HZ2' ' X' ' 111' ' ' LYS . . . -60.12 -40.34 89.39 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.138 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.8 m -59.97 -34.83 73.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.529 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.67 -39.72 81.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.0 109.198 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -40.02 87.82 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.195 -0.941 . . . . 0.0 108.521 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.85 -39.97 16.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.943 . . . . 0.0 109.796 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.255 -0.903 . . . . 0.0 108.821 -179.135 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.248 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 3' ' ' LEU . 6.6 m 59.8 21.99 10.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.436 -0.79 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.12 15.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.246 -0.909 . . . . 0.0 108.825 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.9 tp -59.98 -31.63 70.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.572 -0.705 . . . . 0.0 110.156 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.01 -40.02 87.79 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.776 -1.203 . . . . 0.0 110.297 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.7 mppt? -71.52 -39.63 70.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.343 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.17 83.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.072 -1.017 . . . . 0.0 111.042 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.1 mtt -62.4 -40.03 95.19 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 110.006 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.38 -38.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.86 95.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.953 -0.467 . . . . 0.0 111.777 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.96 -40.02 87.63 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.497 -1.377 . . . . 0.0 108.128 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -67.43 -37.74 79.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 O-C-N 121.68 -0.638 . . . . 0.0 111.004 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -67.12 -40.56 86.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.603 -1.311 . . . . 0.0 111.924 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -40.72 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.02 -1.05 . . . . 0.0 110.17 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.416 ' CD2' ' CD1' ' B' ' 70' ' ' PHE . 83.1 t80 -59.98 -39.94 87.43 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.163 -0.961 . . . . 0.0 109.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -64.34 -28.36 69.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.875 -1.14 . . . . 0.0 110.549 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -60.07 -42.69 95.11 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 110.217 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -89.27 -40.65 12.68 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 112.617 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -60.08 -40.03 88.13 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.818 -1.176 . . . . 0.0 110.369 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.4 -10.88 82.92 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.93 -48.95 79.62 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.106 -1.232 . . . . 0.0 109.843 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -85.8 -73.5 0.45 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.219 -0.926 . . . . 0.0 109.152 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.56 -25.09 0.05 OUTLIER Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.385 -1.388 . . . . 0.0 110.474 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.2 m-20 -80.41 84.43 6.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.849 -1.383 . . . . 0.0 109.683 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -70.05 -39.05 75.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.545 -0.722 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -88.61 -0.4 57.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.209 -0.932 . . . . 0.0 110.73 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 20.7 ttpp -148.41 155.09 40.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.805 -1.184 . . . . 0.0 109.987 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 tp -124.32 136.65 54.27 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' B' ' 30' ' ' SER . 61.8 tttp -106.78 153.28 22.7 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.001 -1.062 . . . . 0.0 110.251 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -23.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.048 -1.033 . . . . 0.0 108.679 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.408 ' N ' ' C ' ' B' ' 28' ' ' LYS . 93.7 p -76.82 -48.43 18.55 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.53 -36.17 80.48 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 41.1 tp -60.0 -43.55 95.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.807 -0.558 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 65.2 tttm -61.81 -40.02 93.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.089 -1.007 . . . . 0.0 110.911 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.34 -33.81 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.937 -1.102 . . . . 0.0 108.729 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' B' ' 39' ' ' GLU . 3.9 tt -65.89 -51.95 54.28 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.058 -1.027 . . . . 0.0 108.977 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.401 ' N ' HD23 ' B' ' 35' ' ' LEU . 91.0 mt -70.03 -42.68 79.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.15 -0.969 . . . . 0.0 111.648 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.11 -39.96 75.2 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 112.236 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -98.28 -39.95 8.58 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.323 -0.861 . . . . 0.0 112.54 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' B' ' 35' ' ' LEU . 74.9 tt0 -70.01 -34.14 72.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.455 -1.403 . . . . 0.0 108.191 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.9 41.05 3.27 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.967 -0.458 . . . . 0.0 110.005 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 t -60.6 -51.0 71.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.032 -1.042 . . . . 0.0 110.287 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -108.66 -22.58 12.18 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.352 -0.842 . . . . 0.0 110.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.95 -30.05 67.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.513 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.466 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.4 tp -135.69 -144.27 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.152 -0.968 . . . . 0.0 109.191 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.466 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -95.22 109.62 21.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.07 147.35 53.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.404 HG21 HG23 ' B' ' 53' ' ' VAL . 8.5 mt -95.2 142.16 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.044 -1.035 . . . . 0.0 109.937 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -19.5 11.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.732 -0.605 . . . . 0.0 110.27 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.04 148.41 51.88 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.305 -0.872 . . . . 0.0 110.702 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 7.5 mm100 -69.69 -24.86 63.64 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 7.9 pt-20 -60.69 -40.08 90.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 111.244 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 68.3 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.905 -1.122 . . . . 0.0 108.836 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.404 HG23 HG21 ' B' ' 47' ' ' ILE . 65.5 t -65.76 -39.95 86.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.583 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.59 -39.95 89.96 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.525 -0.735 . . . . 0.0 110.003 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -66.98 -39.97 87.31 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.0 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.613 ' O ' ' N ' ' B' ' 61' ' ' ASP . 85.5 mmm -70.07 -30.34 67.56 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.438 -0.905 . . . . 0.0 108.983 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -57.45 -39.44 76.32 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.055 -1.653 . . . . 0.0 106.805 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.8 m -76.8 -45.01 30.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 mt -88.0 -17.03 32.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.862 -1.149 . . . . 0.0 110.764 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.3 t0 -79.74 60.57 3.44 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.67 -39.2 79.97 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.03 -16.15 63.12 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.21 31.74 81.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 8.0 p-10 -107.61 7.63 28.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -1.152 . . . . 0.0 110.286 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.04 1.07 87.24 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 14.3 pt-20 -140.42 145.93 37.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.56 139.59 49.46 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -78.09 169.79 17.69 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.503 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.416 ' CD1' ' CD2' ' B' ' 14' ' ' PHE . 15.4 t80 -52.63 -40.84 63.18 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 121.247 -0.908 . . . . 0.0 109.011 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.78 -40.06 95.74 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.129 -0.982 . . . . 0.0 110.634 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.52 -39.97 92.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.511 -1.368 . . . . 0.0 109.631 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -66.17 -33.14 75.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 109.314 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.94 -36.7 77.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.625 -0.672 . . . . 0.0 109.444 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -32.57 72.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.461 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.406 ' CE2' HG21 ' B' ' 80' ' ' VAL . 82.0 t80 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.879 -1.138 . . . . 0.0 109.07 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.402 HG23 ' H ' ' B' ' 77' ' ' VAL . 1.5 t -59.99 -37.86 74.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.222 0.534 . . . . 0.0 110.038 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.1 t -64.52 -39.99 94.8 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.0 mtp -66.99 -46.14 75.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.739 -0.601 . . . . 0.0 112.219 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' B' ' 83' ' ' ALA . 46.6 t -69.52 -34.0 59.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 O-C-N 120.911 -1.118 . . . . 0.0 110.219 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.88 -40.0 91.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.3 -0.875 . . . . 0.0 108.703 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -54.34 -34.8 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -60.04 -40.25 88.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.156 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 78.5 m -60.01 -34.93 74.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 109.551 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.64 -39.58 80.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -39.96 87.6 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.22 -0.925 . . . . 0.0 108.621 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.96 -39.92 16.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 109.73 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.496 1.846 0 O-C-N 121.238 -0.914 . . . . 0.0 108.838 -179.165 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.402 ' NH1' ' HG2' ' X' ' 104' ' ' ARG . 48.0 mtt-85 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' X' ' 109' ' ' MET . 54.1 t60 -60.51 -39.96 89.68 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.84 . . . . 0.0 108.895 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.11 -30.2 64.17 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.05 -40.4 89.28 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.7 tp -65.84 -38.43 88.85 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.237 -0.914 . . . . 0.0 109.556 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -48.55 -24.55 1.35 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.801 -1.187 . . . . 0.0 109.832 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -40.69 -48.06 2.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.047 -1.033 . . . . 0.0 109.998 -179.174 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.704 ' HZ2' ' HB2' ' A' ' 83' ' ' ALA . 1.3 ptpm? -74.22 -32.34 62.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.884 . . . . 0.0 110.54 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 66.8 p -60.02 -36.98 78.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.733 -1.229 . . . . 0.0 108.24 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.542 -0.724 . . . . 0.0 . 179.509 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 55.4 t60 -60.41 -40.04 89.53 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.307 -0.871 . . . . 0.0 108.891 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.04 -30.34 64.15 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.97 -40.52 89.35 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.689 -1.204 . . . . 0.0 107.826 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.54 -38.92 91.01 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.276 -0.89 . . . . 0.0 109.613 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -48.23 -24.47 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.769 -1.207 . . . . 0.0 109.868 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.544 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -40.71 -48.15 2.93 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.032 -1.042 . . . . 0.0 109.975 -179.165 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 1.4 ptpm? -74.22 -32.4 62.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 110.505 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 57.8 p -59.96 -36.49 77.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.678 -1.263 . . . . 0.0 108.364 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.571 -0.705 . . . . 0.0 . 179.533 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m 60.03 27.9 17.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.455 -0.778 . . . . 0.0 109.783 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -75.73 -9.92 59.0 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.767 0.794 . . . . 0.0 108.989 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.5 tp -46.17 -19.66 0.08 Allowed 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.603 -0.686 . . . . 0.0 110.594 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' GLU . 96.6 mt-10 -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.533 -1.354 . . . . 0.0 110.208 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -32.69 37.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.067 -1.021 . . . . 0.0 110.047 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.82 76.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.282 -0.886 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 mtt -68.18 -39.94 82.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.887 -1.133 . . . . 0.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.32 -39.76 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.729 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.9 74.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.517 -0.739 . . . . 0.0 110.975 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -40.04 87.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.87 -37.32 72.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.277 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.09 -46.04 90.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.952 -1.093 . . . . 0.0 111.008 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -40.01 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.035 -1.04 . . . . 0.0 108.753 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.97 -39.95 75.57 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -70.01 -24.13 63.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.149 -0.969 . . . . 0.0 110.223 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -59.98 -44.23 94.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.788 -1.195 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -91.46 -34.91 14.63 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.894 -1.129 . . . . 0.0 111.697 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 p -60.03 -39.74 86.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.09 -1.006 . . . . 0.0 109.858 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.16 -9.06 86.99 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 34.1 ttt-85 -60.0 -46.33 89.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.043 -1.269 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -115.01 170.86 8.03 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.554 -0.716 . . . . 0.0 109.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.71 -29.63 26.15 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.431 -0.793 . . . . 0.0 111.421 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 64.9 m-20 -69.92 68.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.614 -1.521 . . . . 0.0 109.535 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.0 mtmt -63.25 -39.95 96.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.524 -0.735 . . . . 0.0 110.56 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -98.47 4.29 48.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.124 -0.985 . . . . 0.0 110.869 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -140.17 157.3 45.82 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.941 -1.1 . . . . 0.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.8 123.65 46.47 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.8 tttp -96.35 150.6 20.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.832 -1.167 . . . . 0.0 108.75 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' LYS . 29.8 ttmt -38.39 -27.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.513 0.673 . . . . 0.0 109.961 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -79.91 -49.97 11.14 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.1 mt-10 -64.67 -38.21 90.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.0 -42.37 94.13 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.553 -0.717 . . . . 0.0 109.651 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.92 -39.99 91.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.178 -0.951 . . . . 0.0 110.206 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 49.6 mt-10 -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 109.116 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.4 tm? -59.99 -49.89 75.9 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 108.264 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.91 -48.29 45.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 112.323 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.2 -40.66 71.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.028 -1.045 . . . . 0.0 113.322 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -96.55 -31.62 12.67 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.121 -0.987 . . . . 0.0 113.583 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -82.01 -10.0 59.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 119.983 -1.698 . . . . 0.0 109.185 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.56 56.25 1.57 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.6 -0.687 . . . . 0.0 109.252 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -60.02 -39.93 87.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 110.196 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.17 -16.67 1.06 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.071 -1.018 . . . . 0.0 110.795 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.78 -41.35 97.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.708 -1.245 . . . . 0.0 109.244 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.28 159.99 39.27 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -58.66 111.35 1.23 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.598 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.6 149.33 48.26 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.788 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -79.96 140.01 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.095 -1.003 . . . . 0.0 108.655 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -109.12 -10.76 14.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.674 -0.641 . . . . 0.0 111.642 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.4 tp10 -139.93 141.02 36.52 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.927 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.19 -29.81 68.95 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.686 -0.634 . . . . 0.0 110.625 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 pt-20 -59.91 -38.37 82.13 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.048 -1.033 . . . . 0.0 110.408 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -59.96 -39.99 81.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.849 -1.157 . . . . 0.0 108.199 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.97 -38.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.846 -0.534 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 55.1 t0 -63.26 -38.7 92.18 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.824 0.821 . . . . 0.0 109.586 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -67.23 -40.03 86.32 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -64.69 -30.53 50.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.4 mtt -69.18 -34.37 74.83 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.42 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.23 -40.0 76.64 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.035 -1.666 . . . . 0.0 107.503 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.81 -41.06 13.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.638 -0.664 . . . . 0.0 111.031 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.0 tp -86.3 -20.25 28.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.053 -1.03 . . . . 0.0 110.585 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 57' ' ' MET . 33.8 t0 -82.03 65.64 7.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.48 -40.02 77.69 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.316 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.0 p-10 -82.39 -9.09 59.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.03 41.26 97.89 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 38.3 p-10 -106.34 1.98 26.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.249 -1.148 . . . . 0.0 108.868 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.06 11.97 83.85 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 48.0 mt-10 -149.69 130.71 14.37 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.2 p -88.69 125.61 34.93 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.556 -1.34 . . . . 0.0 108.64 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.45 160.01 33.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 110.216 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.36 -38.11 12.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.382 -0.824 . . . . 0.0 108.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.97 -39.69 75.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.41 -0.806 . . . . 0.0 110.071 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -68.33 -40.04 81.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.453 -1.405 . . . . 0.0 109.557 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.82 -33.11 74.95 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.079 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -39.8 86.39 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.41 0.624 . . . . 0.0 110.473 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.19 75.56 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.558 -1.339 . . . . 0.0 110.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.389 -0.819 . . . . 0.0 109.853 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -60.11 -39.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 O-C-N 121.713 -0.617 . . . . 0.0 110.256 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -66.15 -38.65 88.63 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.996 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.3 mtp -67.69 -40.67 84.33 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.411 -0.806 . . . . 0.0 111.507 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.03 -38.89 76.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 C-N-CA 118.571 -1.251 . . . . 0.0 109.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.07 -40.01 88.01 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -53.79 -37.85 63.92 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.92 81.54 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.8 t -60.0 -38.28 82.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 109.842 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.92 -39.96 87.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.899 -1.125 . . . . 0.0 108.348 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -38.57 82.8 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.09 -24.92 34.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 108.973 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.436 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 60.09 28.03 17.53 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.453 -0.779 . . . . 0.0 109.832 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -75.78 -9.51 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.706 0.765 . . . . 0.0 109.007 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -46.36 -19.75 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.566 -0.709 . . . . 0.0 110.643 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 2' ' ' GLU . 96.6 mt-10 -69.93 -40.15 75.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.625 -1.297 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -32.48 36.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 110.024 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -39.91 76.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.317 -0.865 . . . . 0.0 110.708 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.3 mtt -68.35 -39.95 81.7 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.99 -1.069 . . . . 0.0 110.01 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.2 -39.87 86.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 119.142 -1.023 . . . . 0.0 109.833 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.74 74.58 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.494 -0.754 . . . . 0.0 110.862 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.09 88.1 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.79 -37.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.32 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.06 -46.12 90.62 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.935 -1.103 . . . . 0.0 110.987 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -39.92 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.041 -1.037 . . . . 0.0 108.813 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.11 -40.02 76.21 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -69.99 -23.92 63.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.11 -0.994 . . . . 0.0 110.337 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -59.99 -44.15 94.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.652 -1.28 . . . . 0.0 109.88 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -91.44 -35.14 14.52 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.893 -1.129 . . . . 0.0 111.804 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.02 -39.62 86.48 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.068 -1.02 . . . . 0.0 109.81 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -9.19 86.89 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.49 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 33.3 ttt-85 -60.02 -46.43 89.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.116 -1.226 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.92 171.02 7.91 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.524 0.678 . . . . 0.0 109.618 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.73 -29.59 26.19 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.493 -0.754 . . . . 0.0 111.45 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD2' ' OE2' ' B' ' 31' ' ' GLU . 64.8 m-20 -69.92 68.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.614 -1.521 . . . . 0.0 109.506 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' B' ' 22' ' ' GLY . 50.8 mtmt -63.41 -39.93 95.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.455 -0.778 . . . . 0.0 110.5 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -98.35 3.62 48.58 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.19 -0.944 . . . . 0.0 110.902 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.95 157.2 46.07 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.033 -1.042 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.47 123.55 46.62 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.9 tttp -96.61 150.47 20.62 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.85 -1.157 . . . . 0.0 108.698 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.2 ttmt -38.2 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.5 0.667 . . . . 0.0 109.997 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.503 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.5 t -79.41 -50.0 11.48 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 28' ' ' LYS . 36.0 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.508 -0.745 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -61.1 -39.95 91.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -0.935 . . . . 0.0 110.188 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.49 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 49.8 mt-10 -63.13 -39.92 96.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.378 -0.826 . . . . 0.0 109.179 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.4 tm? -60.12 -49.84 76.06 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.758 -1.214 . . . . 0.0 108.243 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.1 mt -72.79 -48.31 46.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.625 -0.672 . . . . 0.0 112.395 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -71.46 -40.52 70.25 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.012 -1.055 . . . . 0.0 113.309 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -96.62 -31.44 12.72 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.972 -1.08 . . . . 0.0 113.543 -176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.18 -9.91 59.34 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 119.959 -1.713 . . . . 0.0 109.174 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 36.3 mt -127.7 56.37 1.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.248 -0.907 . . . . 0.0 110.126 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.09 -16.58 1.08 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.178 -0.951 . . . . 0.0 110.866 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.92 -41.0 97.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.735 -1.228 . . . . 0.0 109.225 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -134.56 160.07 39.21 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -58.8 111.34 1.25 Allowed 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.662 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.59 149.02 48.61 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.2 mt -79.61 140.12 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.105 -0.997 . . . . 0.0 108.746 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.437 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -109.32 -10.49 14.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 111.568 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.439 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.7 tp10 -139.93 140.78 36.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.858 -1.151 . . . . 0.0 110.041 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.02 -29.76 68.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.775 -0.578 . . . . 0.0 110.585 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.439 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.4 pt-20 -59.94 -38.42 82.37 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.993 -1.067 . . . . 0.0 110.387 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.11 -39.8 81.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.831 -1.168 . . . . 0.0 108.255 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -38.33 81.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.809 -0.557 . . . . 0.0 109.814 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 54.8 t0 -63.3 -38.78 92.48 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.786 0.803 . . . . 0.0 109.567 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -67.23 -39.95 86.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.77 -30.6 50.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 2.4 mtt -68.87 -34.72 75.9 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.337 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.15 -40.07 76.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.935 -1.728 . . . . 0.0 107.546 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.68 -40.95 13.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.637 -0.665 . . . . 0.0 111.034 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -86.17 -20.29 28.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.518 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' B' ' 57' ' ' MET . 33.6 t0 -82.01 65.31 7.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.05 -40.09 76.15 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.345 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.0 p-10 -82.56 -9.0 59.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.082 -1.011 . . . . 0.0 109.204 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.75 41.33 97.49 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 37.9 p-10 -106.21 2.05 26.56 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.129 -1.218 . . . . 0.0 108.736 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.482 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.95 12.43 83.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 50.1 mt-10 -150.02 130.02 13.47 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 10.7 p -88.18 125.58 34.69 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.426 -1.421 . . . . 0.0 108.713 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.19 159.97 33.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 110.197 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -37.93 13.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.821 . . . . 0.0 108.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' B' ' 71' ' ' GLN . 14.3 pt20 -69.98 -39.73 75.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.32 -0.862 . . . . 0.0 110.08 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.41 -40.03 81.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.39 -1.444 . . . . 0.0 109.376 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -32.98 74.63 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 109.058 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -39.78 86.74 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.719 -0.613 . . . . 0.0 110.568 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.0 75.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 120.617 -1.302 . . . . 0.0 110.344 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -39.9 87.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.407 -0.808 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -39.15 79.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 O-C-N 121.731 -0.606 . . . . 0.0 110.25 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -65.96 -39.01 90.02 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.948 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.7 mtp -67.59 -40.99 84.78 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 111.538 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.03 -38.86 76.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.352 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.3 m -60.05 -40.04 88.04 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -53.96 -37.66 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.97 -38.34 82.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.493 -0.755 . . . . 0.0 110.064 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.85 -1.156 . . . . 0.0 108.354 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -82.08 -24.87 34.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 108.949 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.457 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.485 0.66 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.499 ' O ' ' SD ' ' X' ' 109' ' ' MET . 13.0 p80 -59.79 -32.06 70.27 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.908 -1.12 . . . . 0.0 108.751 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.96 -31.85 70.27 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 25.9 ttpp -59.69 -40.08 86.7 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.82 -33.78 75.95 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.586 -0.696 . . . . 0.0 110.289 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -62.37 -24.46 67.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.634 -1.291 . . . . 0.0 110.117 -179.519 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.04 -35.62 5.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.981 -1.074 . . . . 0.0 109.93 -178.545 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.609 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.29 -35.12 41.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.844 -1.16 . . . . 0.0 108.815 178.608 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -58.58 -32.11 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.552 -0.717 . . . . 0.0 . 179.091 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.489 0.661 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.512 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 11.8 p80 -59.83 -31.88 70.14 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.964 -1.085 . . . . 0.0 108.789 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.98 -31.86 70.3 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 26.2 ttpp -59.84 -40.0 87.04 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.86 -33.48 75.36 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.548 0.69 . . . . 0.0 110.364 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.512 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -62.48 -24.4 67.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.578 -1.327 . . . . 0.0 110.094 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.05 -35.97 5.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.943 -1.098 . . . . 0.0 109.818 -178.537 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.607 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -78.98 -34.29 44.36 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.84 -1.163 . . . . 0.0 109.016 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -30.93 69.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.556 -0.715 . . . . 0.0 . 179.134 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 2' ' ' GLU . 98.6 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.297 0.57 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.9 p 48.41 16.53 0.1 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.262 -0.899 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -73.28 -10.04 59.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.347 -0.846 . . . . 0.0 109.148 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 tp -43.05 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.594 -0.691 . . . . 0.0 110.238 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 2' ' ' GLU . 21.3 pt-20 -69.97 -36.58 75.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.92 -1.112 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -75.15 -31.69 61.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.742 -1.224 . . . . 0.0 109.219 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.87 -41.16 75.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 110.761 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -62.44 -40.37 96.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.056 . . . . 0.0 109.688 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.21 -37.99 80.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.563 0.697 . . . . 0.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.35 93.89 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.718 -0.614 . . . . 0.0 111.331 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.774 -1.204 . . . . 0.0 108.347 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.24 -39.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 O-C-N 121.548 -0.72 . . . . 0.0 110.943 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.58 -40.28 96.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.501 -1.374 . . . . 0.0 111.581 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -39.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.115 -0.991 . . . . 0.0 110.111 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.63 -39.95 86.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.984 -1.072 . . . . 0.0 108.959 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 108.842 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.622 ' NE2' ' CE1' ' A' ' 17' ' ' TYR . 0.7 OUTLIER -59.99 -41.85 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.612 -0.68 . . . . 0.0 110.828 -178.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.622 ' CE1' ' NE2' ' A' ' 16' ' ' GLN . 61.5 m-85 -99.16 -24.53 14.84 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.009 -1.057 . . . . 0.0 112.039 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.923 -1.111 . . . . 0.0 109.472 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.11 -7.86 84.73 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -59.99 -47.84 84.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.058 -1.26 . . . . 0.0 109.152 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -115.13 156.08 25.91 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.97 -20.71 0.76 Allowed Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 8.5 m-20 -74.84 62.29 1.08 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.757 -1.437 . . . . 0.0 110.081 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 109.026 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.08 -20.21 56.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.746 -0.596 . . . . 0.0 111.893 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -149.44 161.76 41.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.553 -1.342 . . . . 0.0 110.737 -178.591 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.95 141.22 39.92 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.636 -0.665 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' SER . 8.0 mtpm? -107.3 152.32 24.29 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' LYS . 31.7 ttmt -40.97 -27.6 0.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.39 -0.819 . . . . 0.0 109.74 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LYS . 74.7 m -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 63.3 tt0 -70.03 -33.56 72.14 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.91 -40.97 95.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.593 -0.692 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.72 -39.9 90.3 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.602 -0.686 . . . . 0.0 110.142 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.48 -40.04 96.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.875 . . . . 0.0 109.047 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.676 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.4 tt -62.53 -49.98 73.17 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.007 -1.058 . . . . 0.0 108.981 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.81 -44.16 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.174 -0.953 . . . . 0.0 111.874 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 5.2 m120 -68.54 -40.04 80.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.886 -1.134 . . . . 0.0 112.184 -176.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -98.56 -36.03 10.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.424 -0.797 . . . . 0.0 112.73 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 22.9 tt0 -70.01 -26.96 64.31 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.424 -1.423 . . . . 0.0 108.745 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.58 51.66 1.7 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.976 -1.078 . . . . 0.0 110.082 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -129.11 -18.6 3.68 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.367 -0.833 . . . . 0.0 109.879 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -64.91 -39.28 93.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.521 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.1 tp -127.8 -145.06 0.3 Allowed 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.216 -0.928 . . . . 0.0 109.395 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.7 tt0 -92.75 107.22 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.43 140.03 58.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 4.1 mm -92.45 132.1 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 108.946 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -105.0 -26.12 12.28 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.85 140.02 52.36 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.573 0.701 . . . . 0.0 110.314 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -21.04 66.61 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.2 pt-20 -60.08 -39.52 86.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.316 -0.865 . . . . 0.0 110.326 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 79.0 t -60.05 -39.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.996 -1.065 . . . . 0.0 108.155 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.96 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.23 -39.97 88.58 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.05 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.06 -39.96 86.98 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 122.238 1.018 . . . . 0.0 108.667 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.1 -28.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 mtt -69.74 -28.9 66.18 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.759 -0.777 . . . . 0.0 108.975 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.96 -39.94 87.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -84.85 -39.57 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.739 -0.601 . . . . 0.0 111.105 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 76' ' ' PHE . 3.9 mm? -88.15 -18.05 29.62 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.796 -1.19 . . . . 0.0 110.819 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.1 t0 -80.08 63.05 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.74 -36.53 76.79 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.745 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.5 -11.1 59.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.54 30.92 75.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.4 p-10 -107.82 6.16 27.19 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.072 -1.252 . . . . 0.0 109.973 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.72 10.63 86.02 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -140.25 143.0 35.73 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 4.9 p -108.92 126.6 53.25 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.061 -1.025 . . . . 0.0 108.623 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.2 t0 -73.07 168.42 19.09 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.796 -0.565 . . . . 0.0 109.639 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.555 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.5 t80 -54.26 -40.28 67.64 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 108.945 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.09 -39.66 86.8 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.03 -40.21 94.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.881 -1.137 . . . . 0.0 110.405 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.79 -36.63 82.85 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mmm -59.97 -39.1 84.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.296 0.569 . . . . 0.0 111.448 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.32 -35.2 77.44 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.549 -1.345 . . . . 0.0 110.764 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.624 ' HB2' HD11 ' A' ' 60' ' ' LEU . 47.2 t80 -60.1 -35.83 76.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.114 -0.991 . . . . 0.0 109.401 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.9 t -60.2 -39.98 82.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.974 0 O-C-N 121.634 -0.666 . . . . 0.0 109.759 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 42.4 m -60.9 -40.09 91.8 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.945 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 mtm -74.61 -42.01 59.39 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 118.799 -1.16 . . . . 0.0 111.525 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.25 -39.95 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.686 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.98 -39.47 85.8 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -54.38 -39.33 67.1 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.77 -33.72 72.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.675 -0.64 . . . . 0.0 109.63 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -59.94 -40.68 89.76 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 108.715 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -40.17 96.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.91 -39.51 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.615 0.721 . . . . 0.0 109.103 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.347 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.442 ' O ' ' N ' ' B' ' 2' ' ' GLU . 98.2 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.302 0.572 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.8 p 48.4 16.32 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -73.45 -9.49 58.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 109.169 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 tp -43.66 -21.98 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.489 -0.757 . . . . 0.0 110.246 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 2' ' ' GLU . 20.8 pt-20 -70.22 -36.53 74.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.877 -1.14 . . . . 0.0 110.888 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.77 -1.206 . . . . 0.0 109.207 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -41.16 75.84 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.823 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -62.29 -40.31 95.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.06 . . . . 0.0 109.975 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -37.76 79.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-O 121.469 0.652 . . . . 0.0 109.414 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.96 92.81 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.705 -0.622 . . . . 0.0 111.372 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.0 -39.89 87.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.723 -1.235 . . . . 0.0 108.261 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.22 -39.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.577 -0.702 . . . . 0.0 110.85 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.27 -40.54 97.7 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.547 -1.346 . . . . 0.0 111.592 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -39.03 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.193 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -59.78 -39.97 86.7 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 108.991 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.3 -24.52 67.68 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.088 -1.008 . . . . 0.0 108.824 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.632 ' NE2' ' CE1' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -60.02 -41.79 92.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.512 -0.742 . . . . 0.0 110.78 -178.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.632 ' CE1' ' NE2' ' B' ' 16' ' ' GLN . 61.3 m-85 -99.18 -24.49 14.84 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.91 -1.119 . . . . 0.0 112.03 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.986 -1.071 . . . . 0.0 109.452 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.59 85.62 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 20' ' ' ARG . 39.9 ttt-85 -60.03 -47.69 84.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.259 . . . . 0.0 109.177 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.97 155.74 26.37 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.1 -20.14 0.73 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 8.5 m-20 -75.19 62.47 1.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.834 -1.392 . . . . 0.0 109.924 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -61.2 -39.97 92.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -0.884 . . . . 0.0 109.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -77.31 -20.25 55.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.73 -0.606 . . . . 0.0 111.894 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -149.15 161.67 41.52 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.533 -1.354 . . . . 0.0 110.772 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.96 140.88 40.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.717 -0.615 . . . . 0.0 110.488 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.9 mtpm? -107.3 152.1 24.59 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.7 ttmt -40.59 -27.51 0.05 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.383 -0.823 . . . . 0.0 109.821 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -79.7 -48.79 13.09 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.677 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 63.5 tt0 -70.01 -33.85 72.54 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.66 -41.42 95.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 109.537 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.184 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.54 -39.95 95.74 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.302 -0.874 . . . . 0.0 109.116 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.7 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.1 tt -62.59 -50.04 72.87 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 108.982 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.77 -44.29 76.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.204 -0.935 . . . . 0.0 111.953 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 5.4 m120 -68.52 -39.97 80.98 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.962 -1.086 . . . . 0.0 112.158 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -98.63 -36.04 10.0 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 112.733 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 22.8 tt0 -69.98 -27.03 64.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.404 -1.435 . . . . 0.0 108.722 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -125.7 51.68 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -60.07 -40.82 90.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.011 -1.056 . . . . 0.0 110.068 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -129.5 -18.49 3.55 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.388 -0.82 . . . . 0.0 109.981 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -39.07 91.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.491 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.449 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.1 tp -127.75 -145.02 0.3 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.395 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.449 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -92.83 107.09 18.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.892 . . . . 0.0 109.155 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.47 140.01 58.0 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.468 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.7 mm -92.51 132.16 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 108.946 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -105.03 -25.96 12.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.363 -0.836 . . . . 0.0 109.095 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -121.04 139.88 52.7 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.568 0.699 . . . . 0.0 110.291 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -21.13 66.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.02 -39.61 86.47 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 0.0 110.364 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.94 -40.05 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.87 -39.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.41 -39.96 89.27 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.791 0.805 . . . . 0.0 110.166 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.306 1.05 . . . . 0.0 108.605 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.7 t -67.21 -28.26 41.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.556 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.1 mtt -69.87 -28.86 66.0 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.666 -0.814 . . . . 0.0 108.941 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -84.66 -39.6 18.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.779 -0.576 . . . . 0.0 111.117 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 76' ' ' PHE . 3.9 mm? -88.14 -17.98 29.79 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.778 -1.201 . . . . 0.0 110.881 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.0 t0 -80.33 63.32 4.76 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -59.95 -36.5 77.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.764 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.0 m-20 -79.58 -10.97 59.89 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.45 76.91 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -108.27 6.52 26.66 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.141 -1.211 . . . . 0.0 109.961 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.449 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.55 10.49 86.15 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -140.36 142.92 35.51 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 4.9 p -108.84 126.61 53.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.013 -1.055 . . . . 0.0 108.462 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 53.3 t0 -73.22 168.4 19.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.785 -0.572 . . . . 0.0 109.58 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.561 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.5 t80 -54.1 -40.33 67.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.222 -0.924 . . . . 0.0 108.984 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.35 -39.09 85.72 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.032 -1.042 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.407 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 42.0 mt-10 -62.31 -40.16 95.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.8 -1.187 . . . . 0.0 110.459 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.01 -36.54 82.36 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 108.94 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -60.01 -39.06 84.51 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.22 0.533 . . . . 0.0 111.424 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.74 -34.75 76.14 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.562 -1.336 . . . . 0.0 110.764 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.615 ' HB2' HD11 ' B' ' 60' ' ' LEU . 47.6 t80 -60.07 -36.07 76.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.104 -0.997 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.418 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.8 t -59.98 -40.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 121.526 -0.734 . . . . 0.0 109.633 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 39.3 m -60.83 -40.13 91.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 111.034 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mtm -74.61 -42.18 59.1 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.453 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.09 -39.79 85.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.129 -0.982 . . . . 0.0 109.631 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.3 m -60.07 -39.62 86.69 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.53 -39.53 67.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.45 85.8 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' B' ' 88' ' ' PHE . 11.5 t -60.0 -33.69 72.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.682 -0.636 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.03 -40.54 89.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 108.713 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.62 -40.44 96.9 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -70.84 -38.98 73.24 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.609 0.719 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.346 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' X' ' 104' ' ' ARG . 51.5 mtt-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.341 0.591 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' X' ' 106' ' ' LYS . 12.0 p80 -59.43 -34.98 73.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.666 -1.271 . . . . 0.0 108.94 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' X' ' 105' ' ' HIS . 45.7 mtpt -60.03 -28.75 68.0 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 83.9 tttt -57.97 -39.95 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.02 -28.59 62.45 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.708 -0.62 . . . . 0.0 110.208 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.56 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -55.29 -24.78 30.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.37 -1.457 . . . . 0.0 109.304 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.528 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -53.92 -27.36 30.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.538 -1.351 . . . . 0.0 109.304 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.528 ' NZ ' ' CZ ' ' X' ' 110' ' ' PHE . 0.2 OUTLIER -69.99 -39.89 75.64 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.636 -1.29 . . . . 0.0 107.948 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 48.5 p -59.94 -34.59 73.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.364 -0.835 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 52.0 mtt-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.309 0.576 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' Y' ' 106' ' ' LYS . 12.4 p80 -59.28 -35.13 73.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.702 -1.249 . . . . 0.0 108.989 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' Y' ' 105' ' ' HIS . 46.0 mtpt -60.0 -28.59 67.84 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 83.8 tttt -57.9 -39.79 78.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.43 -28.29 61.9 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.647 -0.658 . . . . 0.0 110.108 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -55.44 -24.71 32.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.424 -1.422 . . . . 0.0 109.252 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -53.98 -27.41 31.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.521 -1.362 . . . . 0.0 109.388 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' NZ ' ' CZ ' ' Y' ' 110' ' ' PHE . 0.2 OUTLIER -70.04 -39.94 75.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.742 -1.224 . . . . 0.0 107.927 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -59.99 -33.94 72.64 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.524 -0.87 . . . . 0.0 108.961 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.349 -0.844 . . . . 0.0 . 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.496 ' SD ' ' NE2' ' B' ' 16' ' ' GLN . 15.0 mmt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m 56.85 30.55 18.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 0.0 109.348 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -74.8 5.48 4.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.318 -0.864 . . . . 0.0 108.869 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.419 HD23 HD21 ' B' ' 40' ' ' LEU . 32.7 tp -47.5 -21.01 0.28 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.669 -0.645 . . . . 0.0 109.936 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 109.5 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.469 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.47 -39.69 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 0.0 110.086 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -66.1 -43.18 87.99 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 111.381 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.8 mtt -63.85 -39.95 95.41 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.967 -1.083 . . . . 0.0 109.596 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.94 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.67 -0.644 . . . . 0.0 109.856 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -67.62 -35.05 78.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.583 -0.698 . . . . 0.0 111.306 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -40.02 87.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.619 -1.3 . . . . 0.0 107.728 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.3 mt -69.59 -39.98 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.852 -0.53 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.89 -45.17 95.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.697 -1.252 . . . . 0.0 111.844 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -39.87 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.855 -1.153 . . . . 0.0 109.751 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 22.0 t80 -59.14 -39.94 83.94 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.014 -1.054 . . . . 0.0 109.379 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.73 -31.17 72.27 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.147 -0.97 . . . . 0.0 110.001 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.553 ' NE2' ' SD ' ' B' ' 0' ' ' MET . 12.6 tp-100 -60.01 -41.34 91.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 110.683 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -91.96 -35.75 13.81 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.835 -1.166 . . . . 0.0 112.672 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.449 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 65.7 m -59.99 -40.38 88.95 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.89 -1.131 . . . . 0.0 110.555 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.23 -13.75 73.25 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.34 -46.41 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.075 -1.25 . . . . 0.0 110.474 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.99 -77.54 0.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.066 -1.021 . . . . 0.0 110.401 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 -29.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.275 -1.441 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -81.84 95.79 7.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.805 -1.409 . . . . 0.0 108.712 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.99 -40.01 75.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.91 . . . . 0.0 111.246 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.59 5.53 45.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.03 -1.044 . . . . 0.0 111.525 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -146.64 149.33 33.3 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.681 -1.262 . . . . 0.0 110.526 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 mt -117.44 137.69 52.34 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.721 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' SER . 8.3 mtmp? -102.04 155.5 18.14 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 pttm -49.99 -22.63 1.64 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 28' ' ' LYS . 69.9 m -75.74 -50.74 14.4 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.438 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.68 -35.74 80.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.721 -0.612 . . . . 0.0 109.61 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.96 -40.01 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.668 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.98 -35.95 79.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 108.876 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.711 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.6 tm? -60.74 -49.98 75.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.74 -1.225 . . . . 0.0 108.438 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.5 mt -73.99 -48.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 111.798 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 113.055 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -97.7 -35.76 10.46 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.145 -0.972 . . . . 0.0 113.183 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 40' ' ' LEU . 26.8 tt0 -80.0 -10.36 59.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.112 -1.617 . . . . 0.0 109.11 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.2 mt -134.48 54.77 1.93 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.454 -0.779 . . . . 0.0 109.09 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -61.75 -39.99 93.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 110.436 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -131.49 -19.9 2.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.266 -0.896 . . . . 0.0 110.169 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.95 -40.03 94.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.994 -1.067 . . . . 0.0 109.825 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' HG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -130.93 167.06 19.62 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.259 -0.901 . . . . 0.0 108.836 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -52.62 106.04 0.14 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.16 140.03 58.17 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -82.26 138.06 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.95 -17.62 13.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.689 -0.632 . . . . 0.0 110.074 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -136.01 142.48 44.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.308 -0.87 . . . . 0.0 109.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.54 -20.33 66.29 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.95 -38.88 83.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.617 -0.677 . . . . 0.0 109.844 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' X' ' 105' ' ' HIS . 58.9 t -60.0 -39.21 79.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.44 -31.78 54.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.981 -0.449 . . . . 0.0 109.832 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.29 81.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -70.13 -39.98 75.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.249 1.023 . . . . 0.0 108.643 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.1 -31.32 53.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -36.91 84.23 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.369 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 119.882 -1.761 . . . . 0.0 107.253 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -77.94 -44.99 25.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.581 -0.699 . . . . 0.0 111.444 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 24.2 mt -90.0 -14.99 32.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.836 -1.165 . . . . 0.0 111.245 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.6 t0 -80.84 61.09 4.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 72.9 m-20 -74.2 -11.11 60.2 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.26 29.93 72.63 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -106.8 3.84 26.9 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.238 -1.154 . . . . 0.0 109.686 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 81.06 2.25 90.37 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -137.48 136.65 37.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.578 -0.954 . . . . 0.0 108.667 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.52 136.23 43.64 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.8 t0 -78.15 170.01 17.32 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.243 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.9 t80 -51.18 -39.96 57.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -61.3 -50.44 72.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.812 . . . . 0.0 111.026 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 81.7 mt-10 -61.42 -40.03 92.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -1.0 . . . . 0.0 110.417 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.97 -37.36 87.14 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.348 -0.845 . . . . 0.0 109.639 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 82.5 mmm -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.464 0.65 . . . . 0.0 110.48 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.27 79.59 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.01 -1.057 . . . . 0.0 110.957 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.02 -35.43 75.07 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.268 -0.895 . . . . 0.0 109.967 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.1 t -66.2 -37.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -65.19 -39.96 93.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.07 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 30.1 mtp -71.36 -42.48 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.089 -1.044 . . . . 0.0 111.095 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.05 -39.65 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.3 m -60.05 -39.11 84.83 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.32 -38.99 60.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.91 83.89 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.6 m -60.0 -36.75 77.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.782 -1.199 . . . . 0.0 109.408 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.89 -33.52 76.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.064 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.07 -30.03 21.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.363 -0.836 . . . . 0.0 109.672 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 108.633 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.553 ' SD ' ' NE2' ' A' ' 16' ' ' GLN . 15.1 mmt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.239 0.542 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m 57.03 30.28 17.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -74.67 5.29 5.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 108.926 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 40' ' ' LEU . 31.0 tp -46.95 -21.35 0.21 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.663 -0.648 . . . . 0.0 109.917 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.92 -40.03 75.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.987 -1.071 . . . . 0.0 109.615 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.483 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -73.6 -39.63 64.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.517 -0.739 . . . . 0.0 110.104 -179.385 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -66.25 -43.19 87.26 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.303 -0.873 . . . . 0.0 111.276 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -63.72 -40.01 95.7 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.941 -1.099 . . . . 0.0 109.562 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.8 -37.76 81.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.694 -0.629 . . . . 0.0 109.834 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -67.79 -34.91 77.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.597 -0.69 . . . . 0.0 111.381 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.41 -1.316 . . . . 0.0 107.665 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.53 -40.0 79.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.923 -0.485 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.87 -45.2 95.49 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.738 -1.226 . . . . 0.0 111.856 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -39.64 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.829 -1.169 . . . . 0.0 109.751 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.439 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 22.1 t80 -59.22 -39.97 84.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.109 -0.995 . . . . 0.0 109.326 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.195 -0.941 . . . . 0.0 110.037 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.496 ' NE2' ' SD ' ' A' ' 0' ' ' MET . 12.5 tp-100 -59.95 -41.42 91.83 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -91.85 -35.84 13.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.842 -1.161 . . . . 0.0 112.723 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.439 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 61.5 m -60.04 -40.11 88.27 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.792 -1.192 . . . . 0.0 110.541 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.14 -14.18 72.5 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.19 -46.19 90.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.06 -1.259 . . . . 0.0 110.598 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.03 -78.04 0.38 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.092 -1.005 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.98 -30.48 0.02 OUTLIER Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.737 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -81.57 95.95 7.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.749 -1.442 . . . . 0.0 108.754 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.368 -0.833 . . . . 0.0 111.265 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -99.69 5.34 45.78 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.027 -1.046 . . . . 0.0 111.459 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -146.64 149.31 33.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.476 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 mt -117.38 137.7 52.3 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.727 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 8.4 mtmp? -102.0 155.65 18.04 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.04 -22.57 1.66 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.8 m -75.79 -50.66 14.57 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.501 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.77 -35.76 80.85 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.697 -0.627 . . . . 0.0 109.515 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.186 -0.946 . . . . 0.0 109.682 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.09 -35.62 78.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 108.928 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.717 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.93 -49.95 75.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.751 -1.218 . . . . 0.0 108.351 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -74.07 -48.47 37.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.521 -0.737 . . . . 0.0 111.863 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -67.77 -40.0 84.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.089 -1.007 . . . . 0.0 113.018 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -97.69 -35.84 10.44 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.113 -0.992 . . . . 0.0 113.177 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.513 ' O ' HD23 ' B' ' 40' ' ' LEU . 26.4 tt0 -80.0 -10.37 59.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.087 -1.633 . . . . 0.0 109.136 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.2 mt -134.44 54.89 1.92 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 0.0 109.084 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -61.79 -40.01 93.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.97 . . . . 0.0 110.427 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -131.59 -19.68 2.67 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.337 -0.852 . . . . 0.0 110.139 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -64.94 -40.02 94.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.816 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' B' ' 45' ' ' GLU . 3.9 tp -131.02 166.89 20.02 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.308 -0.87 . . . . 0.0 108.811 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.446 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 86.5 tt0 -52.54 106.13 0.14 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.295 -0.878 . . . . 0.0 109.431 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.97 140.03 58.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mm -82.33 138.25 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.061 -1.024 . . . . 0.0 109.241 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -17.8 13.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.658 -0.651 . . . . 0.0 110.084 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -135.95 142.52 44.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.317 -0.864 . . . . 0.0 109.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.57 -20.27 66.25 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -59.93 -38.95 83.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.544 -0.722 . . . . 0.0 109.827 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' Y' ' 105' ' ' HIS . 60.6 t -60.05 -39.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.36 -31.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.807 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.07 80.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -70.19 -40.01 74.87 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.374 1.083 . . . . 0.0 108.462 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.19 -31.19 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.65 -36.86 84.21 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.26 -40.02 73.54 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 119.914 -1.742 . . . . 0.0 107.274 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.3 m -77.96 -45.04 25.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.638 -0.664 . . . . 0.0 111.408 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 23.9 mt -89.96 -14.96 32.96 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.137 . . . . 0.0 111.288 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.5 t0 -80.83 60.98 4.29 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -59.94 -39.59 86.08 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 73.0 m-20 -74.33 -11.04 60.15 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.16 30.01 72.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 8.5 p30 -106.8 3.94 27.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.223 -1.163 . . . . 0.0 109.713 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 81.01 2.03 90.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -137.32 136.64 38.16 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.6 -0.941 . . . . 0.0 108.723 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.6 136.16 43.83 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 50.3 t0 -77.82 170.11 17.14 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.582 -0.699 . . . . 0.0 109.29 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.8 t80 -51.39 -40.01 58.38 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -61.22 -50.4 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 111.086 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 81.7 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 110.475 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.04 -37.43 87.42 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.327 -0.858 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.4 mmm -59.99 -37.38 79.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.598 -0.689 . . . . 0.0 110.47 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.54 80.38 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 120.984 -1.073 . . . . 0.0 110.963 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.05 -35.63 75.56 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.275 -0.89 . . . . 0.0 109.939 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.477 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.0 OUTLIER -65.96 -37.13 79.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.305 0 O-C-N 121.876 -0.515 . . . . 0.0 110.34 -178.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 m -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.071 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.7 mtp -71.33 -42.39 68.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.087 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.13 -39.59 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.216 -0.927 . . . . 0.0 110.117 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -60.04 -39.28 85.38 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -52.13 -39.2 59.56 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.75 83.52 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.0 m -60.04 -36.79 78.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.94 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.78 -1.2 . . . . 0.0 109.351 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.87 -33.18 75.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 0.0 109.111 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -87.28 -30.21 21.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.557 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 108.657 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 49.8 mtt-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.982 0.896 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.524 ' CD2' HG22 ' A' ' 52' ' ' VAL . 2.0 m-70 -60.2 -38.45 83.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.75 -29.43 62.55 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.99 -40.07 87.9 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.134 -0.978 . . . . 0.0 108.575 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.438 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.1 mt -75.13 -24.76 58.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.951 -1.093 . . . . 0.0 109.283 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.97 -24.6 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.86 -1.775 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 1.1 p90 -45.56 -47.19 14.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.069 -1.02 . . . . 0.0 110.089 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 6.3 pttt -68.28 -35.4 77.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.378 -0.827 . . . . 0.0 110.19 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 63.5 p -60.65 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.835 -1.166 . . . . 0.0 109.13 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' Y' ' 104' ' ' ARG . 49.7 mtt-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 122.044 0.926 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' B' ' 52' ' ' VAL . 2.1 m-70 -60.16 -38.6 83.67 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.212 -0.93 . . . . 0.0 108.617 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -56.74 -29.4 62.5 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.03 -39.98 87.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.039 -1.038 . . . . 0.0 108.544 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.1 mt -75.18 -24.71 57.89 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.969 -1.082 . . . . 0.0 109.256 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.02 -24.64 64.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 119.846 -1.784 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 1.1 p90 -45.58 -47.23 14.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.035 -1.04 . . . . 0.0 110.105 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.579 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 6.4 pttt -68.24 -35.86 78.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.864 -1.148 . . . . 0.0 109.235 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.441 -0.787 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 2' ' ' GLU . 27.9 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.296 0.569 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.07 12.62 0.09 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.261 -0.899 . . . . 0.0 110.082 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 5' ' ' LYS . 98.9 mt-10 -72.72 1.92 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.9 tp -43.06 -26.46 0.15 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.976 -0.453 . . . . 0.0 110.465 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 8' ' ' VAL . 11.7 pt-20 -70.0 -39.23 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 108.5 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.04 -39.05 75.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.766 -0.584 . . . . 0.0 109.963 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.03 85.22 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 110.859 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.5 mtt -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.184 -0.948 . . . . 0.0 109.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 4' ' ' GLU . 75.3 t -63.94 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.31 -0.869 . . . . 0.0 110.135 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.16 68.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.28 -0.888 . . . . 0.0 110.258 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -69.16 -37.74 76.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.181 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.02 -43.15 95.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.001 -1.062 . . . . 0.0 111.1 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -43.23 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.935 -1.103 . . . . 0.0 110.742 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -39.96 87.72 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.947 -1.096 . . . . 0.0 109.287 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.09 -36.41 77.35 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.529 -0.732 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.87 -39.87 86.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.914 -1.116 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.94 -26.42 18.43 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.68 -1.263 . . . . 0.0 111.992 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 t -60.52 -40.66 92.26 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 109.367 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.58 30.88 3.36 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.63 -60.77 2.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.935 -1.332 . . . . 0.0 110.004 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -107.15 -15.48 14.66 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.34 -0.28 5.13 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -81.71 67.27 7.62 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.858 -1.377 . . . . 0.0 108.508 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.871 . . . . 0.0 110.332 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -80.42 -14.13 58.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.215 -0.928 . . . . 0.0 111.539 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 39.8 pttt -142.84 162.5 35.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.884 -1.135 . . . . 0.0 109.546 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.12 115.24 15.5 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.13 -0.981 . . . . 0.0 108.851 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.9 mttm -79.79 155.67 27.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.727 -1.233 . . . . 0.0 110.444 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -49.12 -21.8 0.82 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 28' ' ' LYS . 89.6 p -76.09 -49.95 16.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.826 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.31 -30.36 68.41 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.09 -44.08 95.06 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.14 -40.05 88.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.461 -0.775 . . . . 0.0 110.488 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.36 -40.01 95.0 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.067 -1.021 . . . . 0.0 109.39 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 4.7 tt -62.23 -50.1 73.11 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.216 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.48 HG23 HD12 ' A' ' 40' ' ' LEU . 61.4 mt -69.59 -44.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 111.447 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 8.8 m120 -67.94 -39.94 83.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.723 -1.235 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -99.66 -29.81 12.46 Favored 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tp10 -79.11 -9.53 59.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.057 -1.652 . . . . 0.0 108.22 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 36' ' ' ILE . 19.8 mt -127.27 59.73 1.42 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -60.03 -41.54 92.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.174 -0.954 . . . . 0.0 110.028 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -145.75 7.51 1.1 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 0.0 109.436 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -90.03 -10.55 44.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.139 -0.976 . . . . 0.0 110.185 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 tp -159.42 164.53 34.52 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.96 118.98 7.41 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.595 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.87 165.96 12.07 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.394 -0.816 . . . . 0.0 109.143 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.486 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 50.2 mm -95.94 119.9 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -12.29 22.03 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.094 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 94.1 mt-10 -140.02 147.63 40.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.299 -0.875 . . . . 0.0 110.231 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.5 -22.87 64.51 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 21.9 pt-20 -59.93 -38.3 81.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.078 -1.014 . . . . 0.0 109.525 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' A' ' 47' ' ' ILE . 57.6 t -60.0 -38.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.9 t -65.49 -38.03 81.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.26 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.81 -36.58 82.69 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.73 -39.99 84.23 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.69 -34.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.0 mmm -68.84 -29.78 68.18 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.522 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -57.41 -36.16 70.96 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 119.978 -1.701 . . . . 0.0 106.476 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -78.86 -46.38 18.73 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 16.5 mt -88.23 -14.62 38.02 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.782 -1.199 . . . . 0.0 110.547 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.63 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 60.2 t0 -79.98 62.89 4.33 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.752 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 45.7 p-10 -82.75 -3.09 56.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.203 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.24 34.7 90.26 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.883 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 p-10 -106.29 1.08 25.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.01 -1.288 . . . . 0.0 110.397 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.63 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.36 11.75 84.8 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -140.01 128.78 23.22 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -105.8 130.45 53.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.355 -0.84 . . . . 0.0 108.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.44 166.04 22.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.439 -0.788 . . . . 0.0 110.371 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.87 -35.76 34.4 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -69.99 -37.9 75.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.095 -1.003 . . . . 0.0 109.601 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 45.9 mt-10 -70.04 -41.26 74.45 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.679 -1.263 . . . . 0.0 109.662 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' ' 77' ' ' VAL . 70.2 t80 -70.07 -26.27 63.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 108.944 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -37.33 79.38 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.6 73.69 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.989 -1.084 . . . . 0.0 109.969 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.98 -40.05 91.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 110.461 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.74 -37.2 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 109.805 -178.702 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -66.52 -39.95 88.91 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.93 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.53 ' O ' ' NZ ' ' X' ' 111' ' ' LYS . 84.5 mtp -62.26 -47.25 85.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 0.0 110.973 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.98 -34.26 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.12 -0.987 . . . . 0.0 109.698 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -39.38 85.6 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 m -59.0 -39.98 83.47 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.92 87.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 0.0 109.052 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m -59.35 -34.23 72.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 15.4 t-80 -60.02 -40.72 90.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.563 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.18 -45.22 93.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -71.82 -40.01 69.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.383 -0.823 . . . . 0.0 109.439 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.843 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.455 ' O ' ' N ' ' B' ' 2' ' ' GLU . 28.2 ttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.293 0.568 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.03 12.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.115 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' B' ' 5' ' ' LYS . 97.8 mt-10 -72.31 1.58 7.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.288 -0.883 . . . . 0.0 108.777 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp -42.98 -26.61 0.15 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 122.002 -0.436 . . . . 0.0 110.506 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.451 ' O ' HG23 ' B' ' 8' ' ' VAL . 11.8 pt-20 -70.03 -39.19 75.91 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.824 -1.172 . . . . 0.0 108.472 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.0 -39.25 75.99 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.778 -0.576 . . . . 0.0 109.934 179.647 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.92 85.21 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 110.882 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.13 -39.19 82.78 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.727 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 4' ' ' GLU . 69.1 t -64.0 -40.06 87.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 110.07 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.31 69.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.363 -0.836 . . . . 0.0 110.25 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -39.98 87.49 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.22 -37.78 76.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.98 -43.19 95.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.024 -1.048 . . . . 0.0 111.139 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -43.23 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.976 -1.078 . . . . 0.0 110.687 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.864 -1.147 . . . . 0.0 109.229 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -60.2 -36.32 77.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.546 -0.721 . . . . 0.0 111.071 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.91 -40.0 87.31 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.83 -1.169 . . . . 0.0 110.844 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -91.72 -26.11 18.76 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.699 -1.251 . . . . 0.0 112.159 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -60.63 -40.9 93.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.826 -1.171 . . . . 0.0 109.347 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.26 30.65 3.3 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.54 -60.8 2.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.911 -1.346 . . . . 0.0 110.022 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -107.37 -15.76 14.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.547 -0.721 . . . . 0.0 109.093 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.4 -1.55 4.88 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.9 m-20 -81.37 67.43 7.31 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.88 -1.365 . . . . 0.0 108.646 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -69.98 -39.96 75.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.43 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -80.41 -13.99 58.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.186 -0.946 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.5 pttt -142.98 162.36 35.66 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.896 -1.128 . . . . 0.0 109.572 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.93 115.03 15.35 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.213 -0.93 . . . . 0.0 108.973 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 30' ' ' SER . 59.6 mttm -79.74 155.64 27.86 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.773 -1.205 . . . . 0.0 110.491 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -49.0 -21.89 0.76 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.462 ' N ' ' C ' ' B' ' 28' ' ' LYS . 91.8 p -75.94 -49.94 16.35 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.914 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.35 -30.36 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.02 -44.19 94.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.491 -0.756 . . . . 0.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.5 -39.95 94.75 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.099 -1.0 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 4.6 tt -62.33 -49.94 73.6 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.834 -1.166 . . . . 0.0 109.276 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.466 HG23 HD12 ' B' ' 40' ' ' LEU . 62.0 mt -69.59 -44.48 79.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.19 -0.944 . . . . 0.0 111.352 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 8.8 m120 -67.84 -39.96 83.79 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.696 -1.252 . . . . 0.0 111.47 -178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -99.71 -30.07 12.29 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tp10 -78.96 -9.24 59.46 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.08 -1.638 . . . . 0.0 108.287 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.466 HD12 HG23 ' B' ' 36' ' ' ILE . 17.8 mt -127.77 59.81 1.46 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -59.92 -41.59 92.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 109.947 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -145.8 7.39 1.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.01 -10.37 45.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.138 -0.976 . . . . 0.0 110.118 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tp -159.55 164.42 34.31 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.94 118.88 7.26 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.612 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.76 166.04 11.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.147 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.479 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 48.5 mm -96.1 119.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -12.4 22.06 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.096 -177.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.434 ' OE1' ' OE2' ' B' ' 51' ' ' GLU . 93.4 mt-10 -140.0 147.67 40.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.317 -0.864 . . . . 0.0 110.21 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.45 -22.97 64.55 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' OE1' ' B' ' 49' ' ' GLU . 22.0 pt-20 -59.9 -38.32 81.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.085 -1.009 . . . . 0.0 109.512 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' B' ' 47' ' ' ILE . 58.6 t -60.0 -38.84 78.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.265 -0.897 . . . . 0.0 108.801 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 t -65.38 -38.51 82.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 121.769 -0.582 . . . . 0.0 110.119 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.35 -36.72 83.6 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.386 -0.821 . . . . 0.0 110.022 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.8 -40.03 83.95 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.73 -34.43 70.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.597 ' O ' ' N ' ' B' ' 61' ' ' ASP . 78.9 mmm -69.06 -29.73 67.92 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.334 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.02 -36.7 70.76 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.4 m -78.6 -46.5 19.18 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.373 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 15.0 mt -88.0 -14.94 37.77 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.852 -1.155 . . . . 0.0 110.578 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 60.7 t0 -79.94 62.63 4.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -58.54 -39.93 81.59 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.813 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 45.0 p-10 -82.69 -3.17 55.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.09 -1.006 . . . . 0.0 109.263 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.77 90.23 Favored Glycine 0 N--CA 1.497 2.728 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.827 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 50.2 p-10 -106.48 1.01 25.17 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.036 -1.273 . . . . 0.0 110.416 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.616 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.24 11.89 84.6 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -140.05 128.58 22.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.77 130.69 53.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.259 -0.9 . . . . 0.0 108.811 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.65 165.92 22.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.459 -0.775 . . . . 0.0 110.372 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -50.71 -36.01 34.05 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.86 -37.93 76.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.086 -1.009 . . . . 0.0 109.587 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 45.7 mt-10 -69.97 -41.33 74.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.635 -1.291 . . . . 0.0 109.732 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.451 ' CE2' HG22 ' B' ' 77' ' ' VAL . 70.6 t80 -70.03 -26.13 63.9 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.087 -1.008 . . . . 0.0 108.851 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.57 79.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.63 73.85 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.129 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.89 -40.0 91.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.083 -1.01 . . . . 0.0 110.575 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -60.87 -37.0 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.747 -0.596 . . . . 0.0 109.847 -178.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -66.44 -39.99 89.22 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.394 -0.923 . . . . 0.0 108.964 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.54 ' O ' ' NZ ' ' Y' ' 111' ' ' LYS . 84.8 mtp -62.51 -47.38 84.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.671 -0.643 . . . . 0.0 111.006 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.86 -34.22 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.094 -1.004 . . . . 0.0 109.642 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.49 85.75 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.803 0.811 . . . . 0.0 108.88 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -58.77 -39.98 82.6 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.236 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -59.25 -34.21 71.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.432 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 15.1 t-80 -60.04 -40.73 90.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.071 -1.018 . . . . 0.0 109.542 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.11 -44.99 94.46 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -72.08 -40.0 68.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.93 0.871 . . . . 0.0 108.792 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.55 -38.28 86.86 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.99 -33.37 71.87 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.7 -40.06 86.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.757 -1.214 . . . . 0.0 109.138 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.51 -30.35 69.15 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.153 -0.967 . . . . 0.0 109.292 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.427 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.6 mmt -58.19 -24.5 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 110.012 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.8 p90 -40.02 -49.9 2.53 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.174 -0.954 . . . . 0.0 110.829 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.556 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.19 -25.52 39.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.717 -1.24 . . . . 0.0 109.991 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 73.2 p -59.72 -38.39 81.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.521 -1.362 . . . . 0.0 108.241 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.303 -1.417 0 O-C-N 121.344 -0.847 . . . . 0.0 . 179.124 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.524 HH11 ' CG ' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.903 0.858 . . . . 0.0 108.799 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.419 ' CD2' HG22 ' B' ' 52' ' ' VAL . 4.5 m-70 -61.27 -38.45 86.8 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.99 -33.4 71.92 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -59.66 -40.05 86.47 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.769 -1.207 . . . . 0.0 109.109 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.88 -29.87 68.25 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.113 -0.992 . . . . 0.0 109.272 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.429 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 15.4 mmt -58.54 -24.52 60.85 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.856 -1.152 . . . . 0.0 109.945 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.7 p90 -39.97 -49.87 2.49 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.895 . . . . 0.0 110.836 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.16 -25.51 39.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.65 -1.281 . . . . 0.0 110.03 -179.493 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 74.6 p -59.9 -37.6 79.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.57 -1.331 . . . . 0.0 108.417 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.304 -1.373 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.116 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.404 ' C ' ' N ' ' A' ' 2' ' ' GLU . 48.9 ttp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.265 0.555 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.77 16.8 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.315 -0.865 . . . . 0.0 110.052 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 0' ' ' MET . 21.5 pt-20 -74.65 19.35 0.14 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.1 tp -60.0 -36.13 76.54 Favored 'General case' 0 C--O 1.204 -1.317 0 O-C-N 121.584 -0.698 . . . . 0.0 109.311 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.0 -38.5 82.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.426 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -63.91 -39.98 95.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.41 -0.806 . . . . 0.0 109.685 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.02 83.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.307 -0.871 . . . . 0.0 110.789 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.42 -39.99 95.11 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.083 -1.01 . . . . 0.0 109.382 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.48 -39.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.662 -0.649 . . . . 0.0 109.293 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.684 -0.635 . . . . 0.0 111.544 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.91 -40.1 87.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.721 -1.237 . . . . 0.0 108.383 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.9 mt -68.23 -38.08 79.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.875 -0.516 . . . . 0.0 111.224 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -68.62 -40.02 80.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.613 -1.304 . . . . 0.0 111.657 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.41 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.14 -37.59 77.65 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.11 -26.94 65.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.694 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.04 -42.91 95.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.744 -1.222 . . . . 0.0 110.131 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 66.6 m-85 -91.78 -40.32 11.29 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.91 -1.119 . . . . 0.0 112.018 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -60.11 -40.12 88.6 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.116 -0.99 . . . . 0.0 111.188 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.12 -9.04 62.86 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.498 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' A' ' 34' ' ' GLU . 39.5 ttm180 -69.63 -43.04 73.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.944 -1.327 . . . . 0.0 110.16 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASP . 87.2 tt0 -113.79 152.89 29.97 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.624 -0.673 . . . . 0.0 109.722 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 -19.51 0.04 OUTLIER Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.15 58.46 0.7 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.8 -1.412 . . . . 0.0 109.229 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -61.0 -40.78 94.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.054 -1.029 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -99.39 0.04 41.94 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.23 -0.919 . . . . 0.0 110.061 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' ASP . 97.5 mttt -141.38 169.03 18.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.044 -1.035 . . . . 0.0 110.561 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' OE1' ' A' ' 31' ' ' GLU . 62.1 mt -135.86 137.37 41.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.652 -0.655 . . . . 0.0 110.293 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 30' ' ' SER . 31.2 mmtp -100.3 153.47 19.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -47.22 -23.38 0.53 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.788 -1.195 . . . . 0.0 108.79 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 47.6 t -74.45 -55.19 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.73 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.7 tt0 -68.63 -29.52 68.04 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.792 -1.192 . . . . 0.0 108.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.71 -40.29 94.53 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.38 -39.97 89.17 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.369 -0.832 . . . . 0.0 111.138 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 9.7 mp0 -68.37 -33.46 74.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.896 -1.128 . . . . 0.0 108.616 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.684 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.1 tt -62.75 -50.96 69.02 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.987 -1.071 . . . . 0.0 108.317 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -76.3 -47.54 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.163 -0.96 . . . . 0.0 111.833 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -65.07 -40.05 94.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.274 -0.891 . . . . 0.0 112.712 -176.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -96.98 -37.73 10.07 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.088 -1.008 . . . . 0.0 112.533 -177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 62.3 tt0 -68.03 -40.54 82.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.609 -1.307 . . . . 0.0 109.161 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.6 64.03 0.8 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.64 -0.662 . . . . 0.0 109.282 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -60.12 -40.07 88.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 110.095 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -136.38 -18.6 1.48 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.218 -0.926 . . . . 0.0 110.562 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.04 -39.99 91.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.897 -1.127 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -127.49 159.72 33.67 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.2 pt-20 -53.86 113.02 1.06 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.66 -1.216 . . . . 0.0 108.847 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -66.46 150.01 49.57 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 109.512 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mt -88.04 139.95 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.103 -0.998 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -114.81 -13.01 12.04 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.542 -0.724 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.4 tp10 -138.32 135.81 35.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.204 -0.935 . . . . 0.0 109.611 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.628 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -63.61 -22.03 66.68 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.4 -0.812 . . . . 0.0 110.571 -178.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 19.3 pt-20 -60.02 -39.14 84.83 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.709 -1.245 . . . . 0.0 109.686 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 69.0 t -59.94 -40.02 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.67 -39.93 84.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.265 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.28 -39.94 92.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.286 -0.884 . . . . 0.0 109.776 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.572 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 34.1 ttmt -64.69 -39.99 94.61 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.936 0.874 . . . . 0.0 108.647 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 t -66.21 -30.75 50.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 82.4 mmm -69.98 -26.85 64.29 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.672 -0.811 . . . . 0.0 108.985 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -39.96 87.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -77.79 -41.39 37.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.775 -0.578 . . . . 0.0 111.174 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 76' ' ' PHE . 24.2 mt -88.23 -17.66 30.32 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.797 -1.189 . . . . 0.0 111.02 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.5 t0 -80.98 58.63 3.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.97 -33.18 71.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.94 -8.89 59.28 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.92 32.21 79.01 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 7.2 p30 -107.56 3.67 25.16 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.232 -1.158 . . . . 0.0 110.435 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.479 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.07 4.46 89.7 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.93 140.58 36.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.629 -0.924 . . . . 0.0 108.683 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.68 138.54 45.89 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 121.817 0.818 . . . . 0.0 109.03 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 37.8 t0 -81.55 170.18 16.18 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.371 0.605 . . . . 0.0 109.984 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 6.9 t80 -53.9 -39.92 66.19 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.25 -50.93 71.71 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.365 -0.835 . . . . 0.0 110.901 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 40.1 mt-10 -61.52 -40.18 93.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.079 -1.013 . . . . 0.0 110.897 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.8 -36.55 84.25 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.418 -0.801 . . . . 0.0 109.702 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.3 mmm -60.0 -38.61 83.14 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.29 0.567 . . . . 0.0 111.033 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.29 74.61 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.622 -1.298 . . . . 0.0 111.223 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.628 ' HB2' HD21 ' A' ' 60' ' ' LEU . 45.2 t80 -66.36 -29.55 69.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.112 -0.993 . . . . 0.0 110.463 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.4 t -66.42 -38.88 82.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.389 -0.819 . . . . 0.0 109.446 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -63.06 -40.49 97.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 mtm -70.8 -40.9 72.24 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.465 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.521 ' HA ' ' HZ3' ' X' ' 111' ' ' LYS . 66.7 t -65.62 -37.93 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.779 -1.2 . . . . 0.0 109.932 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -59.98 -38.42 82.49 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.0 m -58.47 -39.96 81.41 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.92 84.11 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.563 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 7.7 t -59.96 -37.89 80.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.713 -0.617 . . . . 0.0 110.272 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -59.8 -40.0 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.032 -1.042 . . . . 0.0 108.84 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -66.17 -34.13 77.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 109.299 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -92.49 -23.61 19.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.339 -0.85 . . . . 0.0 111.196 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 3.2 m-85 . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.772 -1.205 . . . . 0.0 109.109 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.307 0.575 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.546 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.9 16.93 0.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -74.83 19.54 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.5 tp -60.09 -36.14 76.75 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.97 -38.91 83.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.197 -0.939 . . . . 0.0 109.379 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.63 -40.02 95.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.283 -0.885 . . . . 0.0 109.749 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.85 -40.08 83.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.15 -40.04 94.63 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.111 -0.993 . . . . 0.0 109.435 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.65 -39.89 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 95.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.659 -0.651 . . . . 0.0 111.527 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.748 -1.22 . . . . 0.0 108.39 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.46 -38.13 78.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.821 -0.549 . . . . 0.0 111.161 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.39 -40.11 81.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.688 -1.257 . . . . 0.0 111.645 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.8 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.902 . . . . 0.0 109.665 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -58.75 -37.74 76.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.437 -0.789 . . . . 0.0 109.055 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -68.99 -27.13 65.42 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.292 -0.88 . . . . 0.0 110.671 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.99 -42.74 94.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.68 -1.263 . . . . 0.0 110.152 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.425 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 66.0 m-85 -91.93 -40.21 11.27 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.936 -1.102 . . . . 0.0 112.053 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.3 -40.11 89.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 111.227 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.2 -8.95 62.95 Favored Glycine 0 N--CA 1.492 2.396 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.467 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.414 HH12 ' HB3' ' B' ' 34' ' ' GLU . 41.0 ttm180 -69.78 -42.9 73.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.901 -1.352 . . . . 0.0 110.031 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 23' ' ' ASP . 84.8 tt0 -113.48 152.98 29.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.667 -0.646 . . . . 0.0 109.708 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.24 -18.9 0.04 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.5 m-20 -74.3 58.15 0.71 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.827 -1.396 . . . . 0.0 109.209 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -60.52 -40.92 93.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.085 -1.009 . . . . 0.0 110.19 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -99.4 0.01 41.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.206 -0.934 . . . . 0.0 110.201 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 97.1 mttt -141.17 168.99 18.46 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.122 -0.986 . . . . 0.0 110.678 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' B' ' 27' ' ' LEU . 59.1 mt -135.85 137.21 41.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.685 -0.634 . . . . 0.0 110.351 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' B' ' 29' ' ' LYS . 30.5 mmtp -100.21 153.53 19.2 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 50.9 pttt -47.32 -23.38 0.56 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.846 -1.159 . . . . 0.0 108.796 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.46 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 47.5 t -74.34 -55.21 6.27 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.695 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 31.8 tt0 -68.51 -29.78 68.45 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.876 -1.14 . . . . 0.0 108.076 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.87 -40.05 94.01 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.28 -40.0 88.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 111.116 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 9.9 mp0 -68.44 -33.48 74.27 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.922 -1.111 . . . . 0.0 108.608 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.69 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.0 tt -62.6 -51.24 68.09 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 118.887 -1.125 . . . . 0.0 108.258 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -76.17 -47.55 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.841 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -65.2 -40.0 93.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 0.0 112.706 -176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -96.69 -38.15 10.03 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.059 -1.025 . . . . 0.0 112.488 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 63.5 tt0 -67.68 -40.34 84.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.537 -1.352 . . . . 0.0 109.28 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.5 63.56 0.79 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.565 -0.709 . . . . 0.0 109.338 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -59.99 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 110.207 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.4 -18.82 1.46 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.185 -0.947 . . . . 0.0 110.457 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.929 -1.107 . . . . 0.0 109.945 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.57 159.78 33.57 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 11.1 pt-20 -53.83 112.97 1.04 Allowed 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.807 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -66.45 149.99 49.59 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.397 -0.815 . . . . 0.0 109.516 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.02 140.02 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.182 -0.948 . . . . 0.0 109.983 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -114.91 -12.95 11.98 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.482 -0.761 . . . . 0.0 109.385 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 48.8 tp10 -138.43 135.66 35.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.629 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 1.0 OUTLIER -63.25 -22.38 66.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.366 -0.834 . . . . 0.0 110.61 -178.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 19.2 pt-20 -59.95 -39.07 84.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.729 -1.232 . . . . 0.0 109.621 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.0 -40.03 81.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.57 -40.08 85.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.77 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.641 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 34.1 ttmt -64.51 -40.04 94.9 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.5 t -66.12 -30.68 50.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.4 mmm -69.95 -27.16 64.52 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.042 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.82 -39.98 86.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -77.8 -41.31 37.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.727 -0.608 . . . . 0.0 111.208 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' B' ' 76' ' ' PHE . 24.2 mt -88.21 -17.88 29.89 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.789 -1.195 . . . . 0.0 110.992 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -81.02 58.9 3.61 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -60.06 -33.51 72.15 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 68.4 m-20 -78.68 -8.88 59.12 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.84 32.02 77.96 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 7.2 p30 -107.35 3.65 25.56 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.279 -1.13 . . . . 0.0 110.415 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.06 4.58 89.72 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.97 140.61 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.639 -0.918 . . . . 0.0 108.686 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 138.37 46.22 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.357 -0.84 . . . . 0.0 109.019 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.0 t0 -81.27 170.43 16.07 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.406 0.622 . . . . 0.0 109.938 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 6.8 t80 -54.25 -40.01 67.34 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.14 -50.87 72.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 40.1 mt-10 -61.6 -40.09 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.031 -1.043 . . . . 0.0 110.823 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.74 -36.73 84.83 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.415 -0.803 . . . . 0.0 109.693 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.04 -38.55 83.06 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.3 0.571 . . . . 0.0 111.038 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.36 74.86 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.677 -1.265 . . . . 0.0 111.175 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.647 ' HB2' HD21 ' B' ' 60' ' ' LEU . 48.4 t80 -66.43 -29.47 69.62 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.083 -1.011 . . . . 0.0 110.429 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.4 t -66.33 -39.03 83.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -63.37 -40.15 96.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 0.0 110.336 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 5.9 mtm -70.8 -40.88 72.27 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.13 -0.982 . . . . 0.0 111.451 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.514 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 65.7 t -65.59 -37.94 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.792 -1.192 . . . . 0.0 109.829 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -59.95 -38.61 82.94 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 m -58.29 -40.02 80.84 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.34 85.6 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 8.4 t -59.87 -37.64 79.92 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.767 -0.583 . . . . 0.0 110.204 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.87 -40.01 87.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.928 -1.108 . . . . 0.0 108.789 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.24 -34.0 77.03 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.455 -0.778 . . . . 0.0 109.257 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -92.58 -23.5 19.02 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.387 -0.821 . . . . 0.0 111.326 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 3.2 m-85 . . . . . 0 N--CA 1.503 2.21 0 O-C-N 120.769 -1.207 . . . . 0.0 109.033 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.457 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.7 0.286 . . . . 0.0 110.617 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.662 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.3 p-80 -60.89 -40.08 91.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.625 -1.297 . . . . 0.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.662 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.7 ttpt -60.88 -37.59 82.71 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.601 0.715 . . . . 0.0 109.553 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.31 -39.96 76.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.119 -0.988 . . . . 0.0 109.265 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.756 HD11 ' NZ ' ' X' ' 111' ' ' LYS . 10.2 tp -71.73 -26.41 62.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.268 -0.895 . . . . 0.0 109.612 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.43 ' O ' ' C ' ' X' ' 110' ' ' PHE . 17.3 mmt -57.45 -24.61 56.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.928 -1.107 . . . . 0.0 109.595 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -40.0 -49.56 2.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.756 ' NZ ' HD11 ' X' ' 108' ' ' LEU . 9.4 ptpt -73.35 -32.71 64.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 79.6 p -59.98 -37.91 81.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.471 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.571 -0.706 . . . . 0.0 . 178.501 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.471 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.675 0.274 . . . . 0.0 110.738 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.659 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.5 p-80 -60.85 -40.1 91.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.736 -1.228 . . . . 0.0 109.247 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.659 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.5 ttpt -60.7 -37.43 81.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.569 -0.707 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.59 -40.04 78.14 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.192 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.753 HD11 ' NZ ' ' Y' ' 111' ' ' LYS . 9.4 tp -71.52 -26.58 62.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.317 -0.864 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.438 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 17.4 mmt -57.37 -24.57 56.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.174 . . . . 0.0 109.638 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.585 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.6 p90 -40.08 -49.5 2.57 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.384 -0.822 . . . . 0.0 110.103 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.753 ' NZ ' HD11 ' Y' ' 108' ' ' LEU . 9.6 ptpt -73.2 -33.16 65.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 77.0 p -60.04 -37.08 78.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.976 -1.077 . . . . 0.0 108.587 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.527 -0.733 . . . . 0.0 . 178.327 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.421 ' O ' ' OG ' ' A' ' 1' ' ' SER . 67.5 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 0' ' ' MET . 5.2 p 61.79 25.65 15.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.242 -0.911 . . . . 0.0 109.508 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -76.29 -9.64 58.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.48 -0.763 . . . . 0.0 109.55 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' GLU . 22.8 tp -42.35 -24.15 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.476 -0.765 . . . . 0.0 110.378 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' GLU . 14.0 tm-20 -69.16 -39.86 78.54 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.001 -1.062 . . . . 0.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -73.01 -33.1 65.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.854 -1.154 . . . . 0.0 109.506 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -41.51 76.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 110.861 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.34 -40.02 95.06 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 109.777 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.61 -36.92 78.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.646 -0.659 . . . . 0.0 109.63 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.31 88.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.588 -0.695 . . . . 0.0 111.334 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.99 -39.81 87.02 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.327 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.87 -39.94 82.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -60.48 -40.04 89.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.742 -1.224 . . . . 0.0 111.236 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -32.57 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.149 -0.969 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' A' ' 18' ' ' SER . 84.9 t80 -57.42 -46.39 83.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.131 -0.981 . . . . 0.0 109.193 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -76.73 -22.07 54.37 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.6 -41.92 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.13 -0.981 . . . . 0.0 111.011 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -119.8 -25.05 5.97 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 120.985 -1.072 . . . . 0.0 111.319 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 78.4 p -63.29 -39.97 96.06 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.745 -1.222 . . . . 0.0 109.916 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.68 -1.22 53.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.85 -45.98 90.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.122 -1.222 . . . . 0.0 109.67 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -115.09 171.93 7.37 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-O 121.61 0.719 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -52.98 -30.36 37.3 Favored Glycine 0 N--CA 1.493 2.47 0 O-C-N 121.504 -0.747 . . . . 0.0 111.356 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.9 m-20 -68.72 46.97 0.06 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.594 -1.533 . . . . 0.0 109.658 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' GLY . 7.5 ttpm? -66.68 -38.78 87.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.923 -1.111 . . . . 0.0 109.534 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -77.82 -15.46 59.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.463 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' O ' ' O ' ' A' ' 23' ' ' ASP . 52.6 pttt -140.8 154.19 46.13 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.797 -1.189 . . . . 0.0 109.304 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.6 110.03 22.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.093 -1.005 . . . . 0.0 109.997 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.8 tttp -81.75 152.41 27.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.767 -1.208 . . . . 0.0 108.245 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.45 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.088 -1.008 . . . . 0.0 108.735 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LYS . 91.0 p -73.96 -47.84 34.65 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.647 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.88 -34.43 73.55 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.93 -40.65 89.64 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.53 87.01 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 109.542 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.08 -39.82 93.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -60.07 -50.01 75.39 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.453 HG21 ' CD1' ' A' ' 47' ' ' ILE . 96.1 mt -74.49 -46.98 41.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 121.241 -0.912 . . . . 0.0 113.459 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -78.53 -43.21 27.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.702 -1.249 . . . . 0.0 113.026 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -95.98 -32.94 12.35 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -86.12 -11.01 53.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.281 -1.512 . . . . 0.0 110.648 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -113.33 53.9 0.75 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.254 -0.904 . . . . 0.0 109.147 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 43' ' ' PHE . 9.4 p -57.94 100.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.909 . . . . 0.0 109.531 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 55.5 -2.65 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.672 -0.642 . . . . 0.0 110.692 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.0 t80 -69.9 -38.52 76.33 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.881 -1.137 . . . . 0.0 107.975 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -129.76 -144.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.0 tt0 -93.96 106.65 18.61 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.124 -0.985 . . . . 0.0 108.725 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -68.41 136.8 53.86 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.04 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 36' ' ' ILE . 64.4 mt -92.9 135.53 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.683 ' NZ ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -109.58 -23.21 11.59 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 110.73 -177.374 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.3 tp10 -120.81 136.95 54.77 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -60.65 -25.84 66.62 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.652 -0.655 . . . . 0.0 110.724 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.6 pt-20 -59.95 -37.08 78.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.941 -1.099 . . . . 0.0 110.053 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.13 -39.94 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.906 -1.121 . . . . 0.0 108.075 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -65.57 -33.87 66.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 121.863 -0.523 . . . . 0.0 110.071 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.86 -38.32 86.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.973 0.892 . . . . 0.0 109.667 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.02 -39.6 75.69 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.73 -30.64 50.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.764 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.68 -39.98 71.71 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.491 -1.38 . . . . 0.0 107.74 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -79.36 -42.92 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.563 -0.711 . . . . 0.0 111.619 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 76' ' ' PHE . 10.8 mt -88.41 -16.64 32.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.823 -1.173 . . . . 0.0 110.908 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.1 t0 -80.68 58.6 3.33 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -60.03 -38.43 82.7 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.4 m-20 -73.49 -11.1 60.34 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.19 28.81 67.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.5 p-10 -107.11 4.93 27.41 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -1.117 . . . . 0.0 109.97 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.68 2.57 85.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.2 mt-10 -135.99 132.29 36.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.776 -0.837 . . . . 0.0 108.888 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.34 44.83 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.48 164.93 22.03 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.32 -0.863 . . . . 0.0 109.329 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 3.2 t80 -49.18 -39.99 31.41 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -61.87 -46.84 87.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.45 -0.781 . . . . 0.0 110.464 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 36.2 mt-10 -59.97 -40.17 88.16 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.807 -178.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -67.89 -36.45 80.26 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.088 -1.008 . . . . 0.0 109.077 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.434 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 82.1 mmm -60.08 -39.65 86.82 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.675 -0.641 . . . . 0.0 110.701 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -32.36 72.78 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.782 -1.199 . . . . 0.0 110.936 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.612 ' HB2' HD21 ' A' ' 60' ' ' LEU . 33.5 t80 -61.43 -38.26 86.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.895 -1.128 . . . . 0.0 109.717 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.7 -38.03 77.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.7 p -62.01 -40.01 94.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.184 -0.948 . . . . 0.0 109.369 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.1 mtp -70.12 -46.56 64.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.571 -0.706 . . . . 0.0 111.71 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.43 -38.0 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.267 -0.895 . . . . 0.0 110.11 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.2 m -60.05 -39.97 87.83 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.42 -39.4 60.91 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.76 86.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.9 m -59.75 -33.15 71.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.516 -0.74 . . . . 0.0 109.665 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.99 -40.08 87.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.953 -1.092 . . . . 0.0 108.83 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.6 -37.96 83.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.37 -0.831 . . . . 0.0 109.712 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -93.81 -21.44 19.28 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.212 -0.93 . . . . 0.0 110.787 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' CYS . 36.6 t80 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.866 -1.146 . . . . 0.0 110.4 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.8 p 61.83 25.63 15.44 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 109.593 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -76.35 -9.32 58.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.488 -0.758 . . . . 0.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 tp -42.47 -24.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 2' ' ' GLU . 14.1 tm-20 -69.07 -39.95 78.79 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -73.01 -33.36 65.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.93 -1.106 . . . . 0.0 109.496 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -41.56 76.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.412 -0.805 . . . . 0.0 110.915 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.4 mtt -64.23 -40.02 95.18 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.007 -1.058 . . . . 0.0 109.813 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.7 -36.75 78.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 121.597 -0.69 . . . . 0.0 109.618 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.44 88.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 111.329 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.81 -40.12 87.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.766 -1.209 . . . . 0.0 108.443 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.74 -39.87 82.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -60.55 -40.19 90.67 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.664 -1.273 . . . . 0.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.93 -32.51 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.159 -0.963 . . . . 0.0 109.445 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.45 ' O ' ' OG ' ' B' ' 18' ' ' SER . 85.2 t80 -57.38 -46.28 83.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.261 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -76.71 -22.35 54.02 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.28 -0.887 . . . . 0.0 110.749 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.26 -42.32 73.38 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.055 -1.028 . . . . 0.0 110.936 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -119.65 -24.89 6.09 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.986 -1.071 . . . . 0.0 111.448 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 75.0 p -63.52 -40.0 95.89 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.769 -1.207 . . . . 0.0 109.917 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.62 -1.13 52.28 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.025 -1.279 . . . . 0.0 109.594 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.24 172.18 7.24 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.522 -0.736 . . . . 0.0 110.036 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -52.89 -30.9 38.01 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.0 m-20 -68.62 47.12 0.06 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.623 -1.516 . . . . 0.0 109.695 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 22' ' ' GLY . 7.4 ttpm? -66.66 -38.82 87.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.94 -1.1 . . . . 0.0 109.554 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -78.01 -15.12 59.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.409 -0.807 . . . . 0.0 111.397 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' B' ' 23' ' ' ASP . 53.1 pttt -140.98 154.18 45.93 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.743 -1.223 . . . . 0.0 109.421 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 mt -106.49 110.11 22.23 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.139 -0.976 . . . . 0.0 110.004 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.6 tttp -81.94 152.33 26.81 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.713 -1.242 . . . . 0.0 108.228 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.59 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 0.0 108.712 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 28' ' ' LYS . 96.3 p -73.68 -48.23 33.76 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.639 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.51 -34.32 74.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.023 -1.048 . . . . 0.0 108.249 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.08 -40.43 89.49 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.12 -39.8 87.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.361 -0.837 . . . . 0.0 109.601 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -39.78 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.456 HD22 ' O ' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -60.08 -50.0 75.42 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.17 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' B' ' 47' ' ' ILE . 97.0 mt -74.66 -47.02 40.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 O-C-N 121.248 -0.907 . . . . 0.0 113.355 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -78.37 -43.34 27.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.714 -1.241 . . . . 0.0 113.08 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -96.04 -33.03 12.27 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.157 -0.964 . . . . 0.0 113.49 -176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.9 -10.93 54.47 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.243 -1.536 . . . . 0.0 110.725 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.1 mt -113.33 53.92 0.75 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.209 -0.932 . . . . 0.0 109.08 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.548 ' C ' ' H ' ' B' ' 43' ' ' PHE . 8.2 p -57.83 100.7 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 0.0 109.547 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.7 m80 55.43 -2.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.702 -0.624 . . . . 0.0 110.671 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.548 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.1 t80 -69.96 -38.51 76.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 108.09 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.476 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.6 tp -129.79 -144.74 0.27 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.476 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -94.01 106.43 18.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 108.873 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.4 136.73 53.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.148 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' B' ' 36' ' ' ILE . 59.8 mt -92.69 135.5 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.632 ' NZ ' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -109.47 -23.41 11.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.639 -0.663 . . . . 0.0 110.751 -177.36 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.3 tp10 -120.78 137.24 54.62 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.837 . . . . 0.0 109.709 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -60.86 -25.88 66.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.653 -0.655 . . . . 0.0 110.655 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.465 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.7 pt-20 -59.91 -37.0 78.17 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.996 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.16 -39.84 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.925 -1.109 . . . . 0.0 108.128 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.83 -33.86 66.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 O-C-N 121.875 -0.516 . . . . 0.0 110.076 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -66.77 -38.47 86.63 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.096 0.95 . . . . 0.0 109.663 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -69.91 -39.62 76.08 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.231 1.015 . . . . 0.0 108.348 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.67 -30.72 50.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.577 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -63.42 -36.92 85.33 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.66 -40.03 71.72 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.477 -1.389 . . . . 0.0 107.729 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -79.45 -42.73 24.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 0.0 111.598 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' B' ' 76' ' ' PHE . 10.4 mt -88.55 -16.57 32.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.825 -1.172 . . . . 0.0 110.863 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.5 t0 -80.74 58.61 3.37 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.0 -38.43 82.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 1.4 m-20 -73.55 -11.02 60.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.24 28.87 67.52 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 41.9 p-10 -107.17 5.07 27.43 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.244 -1.151 . . . . 0.0 109.997 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.458 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.64 2.4 85.2 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.6 mt-10 -136.19 132.47 35.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.796 -0.826 . . . . 0.0 108.87 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.26 44.84 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.47 164.88 22.13 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.341 -0.85 . . . . 0.0 109.301 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.437 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 3.3 t80 -49.13 -39.98 30.73 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.87 -46.76 88.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 110.423 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 36.2 mt-10 -60.08 -40.12 88.43 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 110.648 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.14 -36.16 79.26 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.076 -1.015 . . . . 0.0 109.011 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.437 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 83.5 mmm -59.99 -39.61 86.32 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.363 0.602 . . . . 0.0 110.715 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.39 72.7 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.696 -1.253 . . . . 0.0 110.889 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.627 ' HB2' HD21 ' B' ' 60' ' ' LEU . 34.6 t80 -61.48 -38.06 85.91 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.865 -1.147 . . . . 0.0 109.74 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.475 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.3 t -60.75 -38.08 77.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.834 -0.541 . . . . 0.0 110.072 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 74.1 p -61.91 -40.0 93.96 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.235 -0.915 . . . . 0.0 109.441 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.9 mtp -70.07 -46.54 64.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.544 -0.723 . . . . 0.0 111.793 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.61 -37.82 79.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -60.06 -39.96 87.83 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -52.55 -39.27 61.27 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 88' ' ' PHE . 34.9 m -59.75 -33.1 71.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -59.95 -40.17 88.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.908 -1.12 . . . . 0.0 108.818 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.64 -37.75 82.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.434 -0.791 . . . . 0.0 109.75 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -94.04 -21.48 19.13 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.252 -0.905 . . . . 0.0 110.721 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 36.9 t80 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 120.907 -1.121 . . . . 0.0 110.368 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.683 HH11 ' NZ ' ' A' ' 48' ' ' LYS . 98.5 mtt180 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 121.109 0.481 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.491 ' O ' ' SD ' ' X' ' 109' ' ' MET . 12.5 p80 -58.65 -36.23 73.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.602 -1.311 . . . . 0.0 108.794 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.418 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 51.9 tptt -59.96 -27.94 67.24 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.85 -42.41 93.6 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.951 -1.093 . . . . 0.0 108.661 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.587 HD21 ' HZ3' ' X' ' 111' ' ' LYS . 4.1 tp -69.11 -40.0 78.6 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -42.39 -24.43 0.05 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.807 -1.183 . . . . 0.0 110.198 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -44.01 -49.06 8.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.226 -0.921 . . . . 0.0 109.498 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -69.42 -34.58 74.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.646 -0.659 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 90.2 m -60.02 -39.92 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.451 -0.781 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.632 HH11 ' NZ ' ' B' ' 48' ' ' LYS . 98.1 mtt180 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.161 0.505 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.486 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 11.4 p80 -58.52 -36.36 73.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.661 -1.274 . . . . 0.0 108.795 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.41 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 52.0 tptt -59.99 -28.04 67.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.96 -41.98 93.1 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.938 -1.101 . . . . 0.0 108.646 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' Y' ' 110' ' ' PHE . 4.1 tp -69.35 -39.88 77.87 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -42.44 -24.48 0.06 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.842 -1.162 . . . . 0.0 110.183 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -44.04 -49.0 8.89 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.18 -0.95 . . . . 0.0 109.471 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.635 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.6 OUTLIER -69.63 -34.42 74.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 109.32 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.0 -39.84 87.15 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.523 -0.736 . . . . 0.0 . 179.226 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.142 0.496 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 3' ' ' LEU . 3.6 m 58.88 13.97 3.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.305 -0.872 . . . . 0.0 109.69 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -75.63 22.63 0.13 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 1' ' ' SER . 44.8 tp -70.98 -32.11 68.86 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 110.84 -178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -63.8 -39.47 94.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.815 -1.178 . . . . 0.0 111.026 -178.396 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 5.9 ptpt -72.11 -36.21 69.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.789 -1.194 . . . . 0.0 109.489 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.09 87.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.41 -0.806 . . . . 0.0 110.797 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mtt -62.94 -40.12 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.76 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.19 86.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.892 -0.505 . . . . 0.0 111.812 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -69.41 -39.95 79.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.84 -0.537 . . . . 0.0 111.255 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.4 t0 -59.95 -46.3 89.85 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.714 -1.241 . . . . 0.0 111.787 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -39.89 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.008 -1.058 . . . . 0.0 109.698 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.98 -38.3 75.81 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -70.02 -23.93 63.2 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -59.99 -43.44 95.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.623 -1.298 . . . . 0.0 110.154 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -93.88 -36.68 12.1 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 120.764 -1.21 . . . . 0.0 111.886 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 t -59.99 -47.08 87.28 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.952 -1.093 . . . . 0.0 110.054 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.45 -5.29 89.91 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.06 -48.89 79.85 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.892 -1.358 . . . . 0.0 109.055 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.86 -73.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 23' ' ' ASP . . . 175.33 -7.45 0.03 OUTLIER Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 9.9 m-20 -83.63 72.3 10.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -1.221 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -69.91 -40.03 75.82 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.219 -0.926 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.15 -20.04 56.06 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.257 -0.902 . . . . 0.0 111.421 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -143.63 158.08 43.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.864 -1.147 . . . . 0.0 109.625 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.17 133.17 55.56 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 30' ' ' SER . 94.5 mttt -95.96 153.68 17.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -49.77 -22.61 1.47 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.3 t -74.49 -52.05 13.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.18 -36.15 82.69 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.99 -42.74 94.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.805 -0.56 . . . . 0.0 110.059 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.38 -40.05 89.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.089 -1.007 . . . . 0.0 110.215 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -66.72 -37.32 84.45 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.109 -0.995 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.66 -50.0 72.91 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.838 -1.164 . . . . 0.0 109.308 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.02 -45.57 48.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.582 -0.699 . . . . 0.0 111.661 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.95 -39.04 79.74 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.968 -1.083 . . . . 0.0 111.875 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.17 -35.11 10.49 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 113.311 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.7 tp10 -85.6 -11.99 52.61 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.186 -1.571 . . . . 0.0 110.448 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 39' ' ' GLU . 8.1 mt -137.43 47.73 2.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.211 -0.93 . . . . 0.0 108.673 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -65.28 -40.2 93.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 110.503 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.28 -31.29 6.02 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.288 -0.882 . . . . 0.0 110.072 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.61 -38.99 89.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.6 159.99 34.66 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -55.27 113.28 1.33 Allowed 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.401 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 149.21 45.36 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.959 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.469 HG21 HG23 ' A' ' 53' ' ' VAL . 5.7 mm -88.9 120.16 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -7.08 30.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.503 -0.748 . . . . 0.0 108.992 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -139.91 138.71 35.86 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.893 . . . . 0.0 110.167 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -66.12 -22.35 66.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.7 pt-20 -60.05 -39.54 86.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.348 -0.845 . . . . 0.0 109.814 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.408 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 72.3 t -60.02 -39.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.231 -0.918 . . . . 0.0 108.624 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 47' ' ' ILE . 45.2 t -64.18 -40.01 87.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.066 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.74 -39.95 93.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.364 -0.835 . . . . 0.0 109.83 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.23 -39.96 89.92 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.32 -32.59 57.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.079 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.43 -37.52 70.32 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -79.17 -45.37 20.07 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.165 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.36 -14.8 37.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 0.0 110.729 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.87 61.87 4.66 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.77 -39.54 85.19 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.719 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 55.6 p-10 -81.08 -7.01 59.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.139 -0.976 . . . . 0.0 109.407 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 35.66 90.72 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.002 -1.094 . . . . 0.0 110.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.4 p-10 -105.91 1.0 26.35 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.002 -1.293 . . . . 0.0 109.751 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.01 5.09 89.72 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.577 -1.809 . . . . 0.0 108.577 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.6 mt-10 -136.73 136.07 38.66 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.1 126.3 44.82 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.896 -1.128 . . . . 0.0 108.518 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.0 159.93 32.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.562 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' B' ' 82' ' ' THR . 6.5 t80 -47.49 -39.98 17.32 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 109.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.93 -38.99 87.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.994 -1.066 . . . . 0.0 109.795 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.17 -40.02 90.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.937 -1.102 . . . . 0.0 110.17 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.708 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.97 -37.48 79.73 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.247 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.14 76.04 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.323 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.03 -40.17 88.42 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.994 -1.066 . . . . 0.0 110.416 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.446 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -59.95 -37.65 73.16 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.762 -0.586 . . . . 0.0 110.135 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.0 m -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.491 -0.883 . . . . 0.0 108.996 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.433 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 89.6 mtp -61.76 -50.03 74.03 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.612 0.72 . . . . 0.0 112.046 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.07 -33.65 59.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 O-C-N 120.628 -1.295 . . . . 0.0 110.128 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -60.45 -39.99 89.52 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.266 -0.896 . . . . 0.0 109.109 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.495 HG23 ' CE2' ' B' ' 70' ' ' PHE . 5.4 m -54.3 -39.04 66.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.44 85.88 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.71 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 m -56.41 -33.9 66.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -60.04 -38.71 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.99 -37.81 80.76 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -82.97 -39.65 21.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.894 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.415 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.508 ' C ' ' H ' ' B' ' 3' ' ' LEU . 3.7 m 59.25 13.64 3.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.268 -0.895 . . . . 0.0 109.667 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.5 22.62 0.13 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' B' ' 1' ' ' SER . 45.0 tp -70.98 -32.31 69.11 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.057 -1.027 . . . . 0.0 110.844 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 1' ' ' SER . 1.0 OUTLIER -63.59 -39.73 95.14 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.864 -1.148 . . . . 0.0 110.986 -178.34 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.438 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 6.0 ptpt -71.91 -36.26 69.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.801 -1.187 . . . . 0.0 109.544 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.11 87.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.364 -0.835 . . . . 0.0 110.845 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.1 mtt -62.8 -40.18 96.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.984 -1.073 . . . . 0.0 109.175 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -39.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.16 86.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.898 -0.501 . . . . 0.0 111.795 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -40.02 87.56 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -40.07 79.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 121.939 -0.476 . . . . 0.0 111.132 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 12' ' ' ASP . 60.8 t0 -59.91 -46.45 89.33 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.755 -1.215 . . . . 0.0 111.666 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.67 -39.9 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 120.936 -1.102 . . . . 0.0 109.785 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.99 -38.31 75.86 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.012 -1.055 . . . . 0.0 109.117 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -70.05 -23.78 63.15 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 110.443 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -60.03 -43.43 95.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.587 -1.321 . . . . 0.0 110.191 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.9 -36.84 12.01 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.806 -1.184 . . . . 0.0 111.883 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 t -59.99 -46.59 88.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.917 -1.114 . . . . 0.0 110.114 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 -5.32 90.17 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -48.96 79.53 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.872 -1.369 . . . . 0.0 109.028 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -88.71 -73.95 0.48 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.72 -7.91 0.03 OUTLIER Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.9 m-20 -83.13 72.07 10.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.147 -1.208 . . . . 0.0 109.736 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -69.9 -39.81 76.0 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.202 -0.936 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -77.43 -20.24 54.82 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.21 -0.931 . . . . 0.0 111.32 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.7 pttp -143.31 158.2 43.83 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.84 -1.162 . . . . 0.0 109.731 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.35 133.03 55.52 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 30' ' ' SER . 95.0 mttt -95.75 153.88 17.51 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.772 -1.205 . . . . 0.0 110.076 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -49.96 -22.73 1.66 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.435 ' N ' ' C ' ' B' ' 28' ' ' LYS . 41.0 t -74.27 -52.38 12.49 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.89 -36.38 83.12 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.01 -42.46 94.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.792 -0.568 . . . . 0.0 110.045 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.56 -39.97 89.89 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.027 . . . . 0.0 110.125 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.67 -37.44 84.77 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.171 -0.956 . . . . 0.0 109.766 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.69 -50.04 72.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.894 -1.129 . . . . 0.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.99 -45.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.478 -0.764 . . . . 0.0 111.475 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -69.09 -38.99 79.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 111.994 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -98.07 -35.56 10.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.237 -0.914 . . . . 0.0 113.287 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.707 ' O ' HD23 ' B' ' 40' ' ' LEU . 3.7 tp10 -85.4 -11.57 54.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.265 -1.522 . . . . 0.0 110.418 -177.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.707 HD23 ' O ' ' B' ' 39' ' ' GLU . 8.2 mt -137.92 47.5 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.189 -0.945 . . . . 0.0 108.641 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -65.43 -40.12 92.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 110.453 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -115.21 -31.31 6.04 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.218 -0.926 . . . . 0.0 110.156 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.62 -39.16 90.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.0 109.705 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.31 160.02 34.33 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -55.32 113.26 1.33 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.17 149.06 46.27 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.508 0.671 . . . . 0.0 109.968 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.474 HG21 HG23 ' B' ' 53' ' ' VAL . 5.6 mm -88.79 120.14 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -6.85 30.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.462 -0.774 . . . . 0.0 109.064 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.0 138.29 35.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.286 -0.884 . . . . 0.0 110.186 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.6 -22.67 66.69 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.7 pt-20 -59.99 -39.51 85.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.259 -0.901 . . . . 0.0 109.887 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 65.1 t -60.0 -39.96 81.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.17 -0.956 . . . . 0.0 108.646 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.474 HG23 HG21 ' B' ' 47' ' ' ILE . 47.0 t -64.06 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.011 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.77 -40.07 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.881 . . . . 0.0 109.791 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -66.12 -40.01 90.36 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.34 -32.52 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.8 mmm -69.94 -29.89 67.15 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.109 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.57 -37.04 70.02 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.7 m -79.62 -45.48 19.03 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.209 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.19 -14.64 38.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.775 -1.203 . . . . 0.0 110.722 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.6 t0 -80.95 61.89 4.73 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.74 -39.55 85.13 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.777 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -81.16 -7.01 59.48 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.346 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.19 35.58 90.62 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.87 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.4 p-10 -105.79 1.2 26.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.285 . . . . 0.0 109.777 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.09 4.67 89.75 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -136.38 136.15 39.37 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.26 126.28 45.05 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.858 -1.151 . . . . 0.0 108.558 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 160.0 32.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 82' ' ' THR . 6.6 t80 -47.61 -39.94 18.18 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.407 -0.808 . . . . 0.0 109.019 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.81 -39.22 87.65 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 109.832 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.95 -40.06 91.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.187 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.49 -31.4 70.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.116 -0.99 . . . . 0.0 109.799 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -59.94 -37.57 79.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 109.234 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.17 76.11 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.368 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.06 -40.08 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.976 -1.078 . . . . 0.0 110.495 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.411 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -60.05 -37.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 O-C-N 121.733 -0.604 . . . . 0.0 110.071 -178.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.2 m -67.45 -39.94 85.39 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.284 -0.885 . . . . 0.0 108.983 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' CD ' ' Y' ' 111' ' ' LYS . 89.6 mtp -61.83 -50.01 74.0 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.463 0.649 . . . . 0.0 112.074 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.12 -33.41 58.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 120.707 -1.246 . . . . 0.0 110.115 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.94 -40.01 91.67 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.293 -0.879 . . . . 0.0 109.191 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.471 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.5 m -54.3 -38.69 66.2 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.93 87.44 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.698 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.23 -33.89 65.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.0 -38.59 83.06 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.015 -1.053 . . . . 0.0 108.182 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.06 -37.71 80.66 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -83.0 -39.87 20.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.359 -0.838 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.547 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.59 ' NE2' ' SD ' ' X' ' 109' ' ' MET . 65.6 t60 -57.59 -38.64 75.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.982 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 0.0 109.383 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -71.07 -31.09 67.4 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.695 0.76 . . . . 0.0 109.771 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.59 ' SD ' ' NE2' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.87 -24.7 66.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.047 -1.033 . . . . 0.0 111.539 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.0 p90 -41.42 -48.43 3.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.991 -1.068 . . . . 0.0 110.941 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.43 -25.55 38.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.868 -1.145 . . . . 0.0 109.837 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 91.9 m -59.97 -39.97 87.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.651 -0.656 . . . . 0.0 . 179.669 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.558 HH11 ' CG ' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.588 ' NE2' ' SD ' ' Y' ' 109' ' ' MET . 67.5 t60 -57.57 -38.83 75.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.239 -0.913 . . . . 0.0 108.995 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -59.91 -31.52 69.9 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.02 -40.26 88.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.041 -1.037 . . . . 0.0 109.399 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.85 -31.28 67.94 Favored 'General case' 0 N--CA 1.506 2.336 0 CA-C-O 121.715 0.769 . . . . 0.0 109.799 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.588 ' SD ' ' NE2' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.58 -24.82 65.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.03 -1.044 . . . . 0.0 111.549 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -41.43 -48.35 3.78 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.0 -1.063 . . . . 0.0 110.965 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.47 -25.54 38.81 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.972 -1.08 . . . . 0.0 109.752 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.653 -0.654 . . . . 0.0 . 179.689 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.346 0.593 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 3' ' ' LEU . 23.5 p 50.02 19.59 0.49 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.322 -0.862 . . . . 0.0 109.784 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.17 17.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.0 108.861 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.7 tp -59.73 -30.87 69.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CB ' ' CZ ' ' B' ' 43' ' ' PHE . 13.0 pt-20 -63.35 -39.17 93.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.162 -0.961 . . . . 0.0 109.413 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -64.25 -40.01 95.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.576 -0.702 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.06 -40.0 75.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 110.644 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.1 mtt -61.08 -40.05 92.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.138 -0.976 . . . . 0.0 109.384 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.83 -38.12 79.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.05 96.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.63 -0.669 . . . . 0.0 111.64 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.796 -1.19 . . . . 0.0 108.305 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.21 -40.09 84.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.87 -0.518 . . . . 0.0 111.094 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.29 -45.52 92.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.686 -1.259 . . . . 0.0 111.474 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -37.97 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.332 -0.855 . . . . 0.0 110.126 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 18' ' ' SER . 46.2 t80 -51.49 -41.56 61.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.737 -0.602 . . . . 0.0 109.641 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -78.82 -22.52 46.08 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.148 -0.97 . . . . 0.0 111.674 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.49 -40.82 75.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.919 -1.113 . . . . 0.0 111.514 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -120.83 -23.06 6.04 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.186 -0.946 . . . . 0.0 111.265 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 88.1 p -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.444 -1.41 . . . . 0.0 108.677 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -0.62 25.92 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.3 ttt-85 -61.12 -42.54 98.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -1.14 . . . . 0.0 109.468 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -113.96 165.08 12.97 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.626 0.727 . . . . 0.0 110.142 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.04 -28.99 13.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.8 m-20 -70.1 53.4 0.13 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.906 -1.349 . . . . 0.0 108.53 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' GLY . 12.7 tmtt? -62.25 -40.06 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.0 110.611 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.515 ' CD2' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -91.92 0.01 57.49 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.893 -1.129 . . . . 0.0 110.816 -178.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' NZ ' ' CD2' ' A' ' 25' ' ' HIS . 63.1 mttp -141.49 157.22 45.42 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.977 -1.077 . . . . 0.0 110.224 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' CG ' ' A' ' 31' ' ' GLU . 2.3 mm? -110.58 120.21 41.67 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.5 tttp -91.79 150.49 21.06 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 20.6 pttp -44.87 -23.37 0.13 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 108.507 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.475 ' N ' ' C ' ' A' ' 28' ' ' LYS . 63.3 m -77.92 -52.35 8.98 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.488 ' CG ' HD13 ' A' ' 27' ' ' LEU . 7.1 tp10 -64.46 -36.13 83.18 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.98 -40.34 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.12 -37.99 81.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.326 -0.859 . . . . 0.0 109.155 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.99 -39.52 86.01 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.97 -50.46 73.66 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.472 HG21 ' CD1' ' A' ' 47' ' ' ILE . 94.0 mt -75.12 -48.59 31.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.931 -1.106 . . . . 0.0 112.962 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 38.3 t-20 -80.97 -46.75 14.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.841 -1.162 . . . . 0.0 112.393 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -79.01 -39.96 32.69 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.336 -0.853 . . . . 0.0 113.201 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 40' ' ' LEU . 34.2 tt0 -89.26 -20.68 23.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.366 -1.459 . . . . 0.0 111.7 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 39' ' ' GLU . 17.1 mt -122.19 57.6 1.06 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.097 -1.002 . . . . 0.0 109.611 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.18 -39.97 88.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -127.75 -23.25 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.245 -0.909 . . . . 0.0 110.425 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' B' ' 4' ' ' GLU . 42.6 t80 -62.04 -39.94 94.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.895 -1.128 . . . . 0.0 109.007 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 tp -126.84 160.0 32.22 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.7 pt-20 -55.15 112.36 1.06 Allowed 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.715 -1.194 . . . . 0.0 109.183 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.0 141.83 58.64 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.464 -0.773 . . . . 0.0 109.113 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 77.7 mt -98.03 134.44 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.119 -0.988 . . . . 0.0 108.729 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HE3' HH12 ' X' ' 104' ' ' ARG . 27.3 mmtt -106.47 -25.06 12.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.202 -0.936 . . . . 0.0 110.26 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -112.15 147.96 35.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.904 0.859 . . . . 0.0 111.095 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -72.65 -16.6 61.71 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.3 pt-20 -66.05 -40.02 90.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.372 -0.83 . . . . 0.0 110.561 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.3 t -60.06 -40.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.02 -34.15 68.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.62 -38.71 91.92 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.013 0.911 . . . . 0.0 109.737 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.99 -39.75 75.74 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.36 -27.64 37.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.16 -38.54 88.33 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.1 -39.71 72.56 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.297 -1.502 . . . . 0.0 107.655 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -77.93 -45.69 23.33 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.655 -0.653 . . . . 0.0 111.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 28.2 mt -90.39 -15.81 30.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.839 -1.163 . . . . 0.0 111.223 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.1 t0 -81.07 61.59 4.7 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -59.98 -38.4 82.42 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 64.9 m-20 -75.6 -11.27 59.98 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.14 71.89 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 44.2 p-10 -106.98 8.32 30.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.389 -1.066 . . . . 0.0 110.004 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.5 6.96 82.27 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 40.5 mt-10 -138.63 125.97 21.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.762 -0.846 . . . . 0.0 108.729 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.7 p -94.87 128.36 41.58 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.81 160.04 33.28 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.452 -0.78 . . . . 0.0 110.073 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 4.9 t80 -47.58 -38.69 14.92 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.439 -0.788 . . . . 0.0 109.152 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -66.93 -38.59 86.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.722 -1.236 . . . . 0.0 109.606 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 39.8 mt-10 -66.81 -42.81 85.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 0.0 110.318 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -64.65 -35.85 82.35 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.038 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.421 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.4 mmm -59.95 -38.12 81.55 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.357 0.599 . . . . 0.0 110.424 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.731 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.99 -38.53 82.87 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.959 -1.088 . . . . 0.0 109.574 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.8 t -60.02 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.249 0.547 . . . . 0.0 109.992 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -61.36 -39.99 92.63 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.427 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 75.9 mtp -68.73 -43.47 75.86 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.63 -0.668 . . . . 0.0 111.862 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.429 ' HA ' ' HZ3' ' X' ' 111' ' ' LYS . 61.4 t -68.52 -34.74 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.899 -1.126 . . . . 0.0 110.755 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.8 m -61.33 -39.95 92.43 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.159 -0.963 . . . . 0.0 108.674 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.18 -39.9 67.04 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.16 84.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.293 -0.879 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -60.02 -37.84 80.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -58.46 -39.35 79.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.963 -1.086 . . . . 0.0 109.178 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -59.97 -39.52 85.94 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.248 -0.907 . . . . 0.0 108.955 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.13 -39.35 14.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.219 -0.926 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.706 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 3' ' ' LEU . 25.8 p 49.96 19.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.0 109.738 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.16 16.94 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 0.0 108.731 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' B' ' 1' ' ' SER . 55.9 tp -59.35 -31.01 68.8 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . 13.3 pt-20 -63.43 -39.14 93.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 0.0 109.401 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.38 -39.95 94.87 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.576 -0.702 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 0.0 110.687 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.3 mtt -60.98 -40.0 91.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.083 -1.011 . . . . 0.0 109.404 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.15 -37.9 78.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.0 95.8 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.538 -0.727 . . . . 0.0 111.608 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.795 -1.191 . . . . 0.0 108.309 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.35 -39.98 83.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.825 -0.547 . . . . 0.0 111.031 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.25 -45.61 92.51 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.619 -1.301 . . . . 0.0 111.475 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -38.47 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.418 -0.801 . . . . 0.0 110.132 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.436 ' O ' ' OG ' ' B' ' 18' ' ' SER . 46.8 t80 -51.14 -41.58 60.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.697 -0.627 . . . . 0.0 109.664 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -78.81 -22.34 46.4 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.185 -0.947 . . . . 0.0 111.701 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.62 -40.9 76.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.942 -1.098 . . . . 0.0 111.48 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' B' ' 35' ' ' LEU . 33.7 p90 -120.77 -23.11 6.06 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.293 -0.879 . . . . 0.0 111.217 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 87.4 p -60.05 -40.0 87.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.386 -1.446 . . . . 0.0 108.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.43 -0.97 26.37 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' B' ' 20' ' ' ARG . 37.9 ttt-85 -60.96 -42.4 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -114.13 165.2 12.9 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.606 0.717 . . . . 0.0 110.147 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.98 -29.3 14.08 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.8 m-20 -70.0 53.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.937 -1.331 . . . . 0.0 108.588 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 22' ' ' GLY . 12.8 tmtt? -62.5 -40.04 95.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.321 -0.862 . . . . 0.0 110.577 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' NZ ' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -91.95 -0.02 57.48 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.933 -1.105 . . . . 0.0 110.805 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.536 ' NZ ' ' CD2' ' B' ' 25' ' ' HIS . 63.0 mttp -141.43 157.24 45.42 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 110.254 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.491 HD13 ' CG ' ' B' ' 31' ' ' GLU . 2.2 mm? -110.55 120.26 41.85 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' B' ' 30' ' ' SER . 64.3 tttp -91.67 150.51 21.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -44.9 -23.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.957 -1.09 . . . . 0.0 108.491 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' C ' ' B' ' 28' ' ' LYS . 57.8 m -77.83 -52.56 8.69 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.491 ' CG ' HD13 ' B' ' 27' ' ' LEU . 7.0 tp10 -64.51 -35.79 82.09 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.04 -40.54 89.72 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.02 -37.96 81.27 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 109.187 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.01 -39.58 86.26 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' B' ' 17' ' ' TYR . 1.6 tm? -60.0 -50.17 74.78 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 ' CD1' ' B' ' 47' ' ' ILE . 92.1 mt -75.14 -48.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.093 0 O-C-N 121.023 -1.048 . . . . 0.0 112.96 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 38.1 t-20 -80.71 -46.84 14.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.859 -1.151 . . . . 0.0 112.424 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -79.01 -39.98 32.66 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.361 -0.837 . . . . 0.0 113.219 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.479 ' O ' HD23 ' B' ' 40' ' ' LEU . 33.9 tt0 -89.24 -20.62 23.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.379 -1.451 . . . . 0.0 111.682 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 39' ' ' GLU . 16.4 mt -122.4 57.44 1.08 Allowed 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.126 -0.984 . . . . 0.0 109.672 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.6 p -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.215 -0.928 . . . . 0.0 110.249 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -127.58 -22.99 3.52 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.261 -0.9 . . . . 0.0 110.421 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 4' ' ' GLU . 42.2 t80 -62.23 -39.94 94.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 109.081 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -126.86 160.03 32.16 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 11.6 pt-20 -55.18 112.5 1.09 Allowed 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.736 -1.186 . . . . 0.0 109.191 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -65.1 141.67 58.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.536 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 81.2 mt -97.85 134.25 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 108.727 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -106.28 -25.35 11.99 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.222 -0.924 . . . . 0.0 110.225 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -112.15 148.0 34.93 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.926 0.869 . . . . 0.0 111.095 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -72.5 -16.68 61.79 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.2 pt-20 -65.96 -40.04 90.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.36 -0.837 . . . . 0.0 110.53 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 75.2 t -60.13 -39.96 82.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.2 t -66.86 -34.67 71.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.26 -38.67 91.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.997 0.903 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.0 -39.77 75.67 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 122.162 0.982 . . . . 0.0 108.355 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.1 -28.09 39.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.05 -38.51 88.56 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.27 -39.58 72.86 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.346 -1.471 . . . . 0.0 107.589 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -77.84 -45.66 23.7 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.676 -0.64 . . . . 0.0 111.658 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 27.8 mt -90.34 -16.1 29.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.793 -1.192 . . . . 0.0 111.271 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.3 t0 -80.84 61.6 4.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -59.88 -38.43 82.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.54 -11.21 59.98 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.95 31.14 71.46 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.9 p-10 -107.09 8.29 30.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.35 -1.088 . . . . 0.0 110.005 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 75.66 6.7 82.07 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 39.2 mt-10 -138.59 126.1 21.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.6 p -94.87 128.19 41.45 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.62 160.06 33.33 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.445 -0.784 . . . . 0.0 110.053 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.418 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 4.9 t80 -47.55 -38.76 14.84 Favored 'General case' 0 C--O 1.203 -1.366 0 O-C-N 121.407 -0.808 . . . . 0.0 109.135 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.89 -38.66 86.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.797 -1.189 . . . . 0.0 109.653 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 39.8 mt-10 -66.66 -42.74 86.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.925 -1.109 . . . . 0.0 110.281 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -64.49 -36.19 83.39 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.34 -0.85 . . . . 0.0 108.985 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.418 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 77.4 mmm -60.02 -37.92 81.18 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.25 0.547 . . . . 0.0 110.414 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.05 76.65 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.85 -1.157 . . . . 0.0 110.758 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.0 -38.51 82.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.977 -1.077 . . . . 0.0 109.445 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.45 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.7 t -60.0 -39.82 81.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.213 0.53 . . . . 0.0 110.056 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.0 p -61.29 -40.02 92.58 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 109.38 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 75.7 mtp -68.53 -43.75 76.06 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.724 -0.61 . . . . 0.0 111.876 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.442 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 62.3 t -68.35 -35.01 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.829 -1.17 . . . . 0.0 110.771 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -61.04 -40.03 92.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.157 -0.964 . . . . 0.0 108.67 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.36 -40.0 67.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.95 83.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 108.856 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.7 m -59.95 -37.74 80.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.474 -0.766 . . . . 0.0 109.952 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -58.49 -39.62 80.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.981 -1.074 . . . . 0.0 109.157 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.01 -39.21 85.03 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 108.956 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -88.18 -39.46 14.49 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.138 -0.977 . . . . 0.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.687 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.405 HH12 ' HE3' ' A' ' 48' ' ' LYS . 12.4 ptm180 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.358 0.599 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.413 ' CG ' HG13 ' A' ' 52' ' ' VAL . 12.1 t-80 -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.826 -1.171 . . . . 0.0 108.626 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.53 -30.62 68.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.278 -0.889 . . . . 0.0 108.946 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -57.16 -40.0 76.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.69 -1.256 . . . . 0.0 107.648 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.676 ' HG ' ' HZ1' ' X' ' 111' ' ' LYS . 5.8 tt -70.02 -40.01 75.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.644 -0.66 . . . . 0.0 109.73 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -43.17 -24.51 0.08 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 110.197 -179.444 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -41.05 -48.09 3.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 110.057 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.676 ' HZ1' ' HG ' ' X' ' 108' ' ' LEU . 9.4 ptpt -75.25 -31.5 60.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.204 -0.935 . . . . 0.0 109.624 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 36.4 m -60.04 -39.85 87.36 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.598 -0.689 . . . . 0.0 . 179.416 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.386 0.612 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.92 -39.85 86.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.842 -1.161 . . . . 0.0 108.679 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -59.43 -30.83 68.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.908 . . . . 0.0 109.029 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -57.17 -39.97 76.38 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.672 ' HG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.9 tt -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.65 -0.656 . . . . 0.0 109.705 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -43.15 -24.62 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.967 -1.083 . . . . 0.0 110.268 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -41.03 -47.92 3.16 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.329 -0.857 . . . . 0.0 110.076 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.672 ' HZ1' ' HG ' ' Y' ' 108' ' ' LEU . 9.5 ptpt -75.35 -31.62 60.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 0.0 109.542 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -60.04 -39.35 85.61 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 . 179.249 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' N ' ' A' ' 2' ' ' GLU . 68.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 3' ' ' LEU . 52.8 p 50.74 10.38 0.06 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.178 -0.951 . . . . 0.0 109.7 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.477 ' N ' ' C ' ' A' ' 0' ' ' MET . 17.5 pt-20 -75.73 18.63 0.24 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.9 tt -60.04 -37.65 80.43 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.33 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.96 -37.92 80.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.134 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.01 -40.82 96.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.414 -0.804 . . . . 0.0 109.536 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.98 86.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 110.643 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 mtt -62.56 -39.99 95.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.65 -36.84 77.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-O 121.359 0.599 . . . . 0.0 109.413 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.02 87.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 111.556 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD23 ' CE ' ' A' ' 74' ' ' MET . 6.7 mp -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.718 -1.239 . . . . 0.0 108.605 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -69.04 -38.82 78.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 110.62 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -61.44 -49.54 76.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.769 -1.207 . . . . 0.0 111.434 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.88 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.86 -38.73 82.95 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.003 -1.061 . . . . 0.0 109.379 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.04 -30.21 70.69 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.296 -0.878 . . . . 0.0 110.084 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -59.96 -41.12 91.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 110.344 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -94.75 -21.54 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.871 -1.143 . . . . 0.0 111.656 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.2 p -57.13 -40.04 76.34 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.635 -1.291 . . . . 0.0 107.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.73 39.47 2.95 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.59 -64.68 0.94 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.733 -1.451 . . . . 0.0 109.901 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -114.66 -19.54 11.05 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.42 -0.8 . . . . 0.0 109.49 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.46 -14.62 1.83 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' LYS . 4.6 m-20 -76.01 58.36 1.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.824 -1.397 . . . . 0.0 108.541 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.35 -39.95 88.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.42 -0.8 . . . . 0.0 109.989 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -79.73 -20.87 45.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.345 -0.847 . . . . 0.0 111.323 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 mtmm -140.39 151.44 44.94 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.8 -1.187 . . . . 0.0 110.608 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 27' ' ' LEU . 4.5 mm? -106.95 134.58 49.89 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.333 -0.854 . . . . 0.0 108.702 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.8 tttp -101.46 145.81 28.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 108.743 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.4 pttp -41.8 -23.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.825 0.821 . . . . 0.0 109.337 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.5 m -76.7 -54.66 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 99.0 mt-10 -61.36 -35.99 78.96 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.99 -41.43 92.04 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.685 -0.635 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.09 -1.006 . . . . 0.0 109.917 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.6 mp0 -65.95 -36.93 84.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 108.966 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.73 -46.81 89.0 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.638 -1.289 . . . . 0.0 108.637 178.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.63 -51.46 28.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.85 -0.532 . . . . 0.0 111.972 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 1.135 ' ND2' ' H ' ' A' ' 47' ' ' ILE . 9.6 m120 -73.53 -48.66 31.38 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.286 -0.966 . . . . 0.0 112.451 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -76.04 -44.68 38.07 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 40' ' ' LEU . 6.5 tp10 -83.23 -15.41 50.47 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.338 -1.476 . . . . 0.0 111.033 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.3 mt -138.53 49.93 1.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.902 -1.124 . . . . 0.0 110.075 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.9 p -63.07 -44.96 94.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.051 -1.031 . . . . 0.0 109.425 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.11 -38.66 8.85 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.307 -0.871 . . . . 0.0 110.055 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.331 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.593 HD13 ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -125.23 134.97 52.13 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 178.248 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.593 ' N ' HD13 ' A' ' 44' ' ' LEU . 16.6 pt-20 -52.0 117.0 2.46 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.45 -1.406 . . . . 0.0 109.168 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -51.27 150.58 3.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 110.301 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.135 ' H ' ' ND2' ' A' ' 37' ' ' ASN . 6.0 mm -84.28 141.25 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -107.63 -17.6 14.05 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.287 -0.883 . . . . 0.0 110.736 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 52.6 tp10 -139.98 141.82 36.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.92 -1.113 . . . . 0.0 109.904 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.98 -27.96 67.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.713 -0.617 . . . . 0.0 110.997 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 19.2 pt-20 -59.99 -38.71 83.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.008 -1.057 . . . . 0.0 110.502 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.022 -1.048 . . . . 0.0 108.783 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 HG21 ' A' ' 47' ' ' ILE . 54.9 t -65.32 -38.58 82.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.497 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 64.7 t0 -65.3 -35.94 82.54 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 110.17 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.82 -32.72 59.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.83 67.09 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.528 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.06 -40.03 83.89 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 119.947 -1.721 . . . . 0.0 106.647 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -74.51 -42.87 58.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.785 -0.572 . . . . 0.0 111.305 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 39.0 mt -89.53 -16.79 29.93 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.721 -1.237 . . . . 0.0 110.54 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' MET . 58.1 t0 -81.42 62.3 5.26 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.89 -39.8 86.57 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.675 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -80.99 -7.29 59.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.238 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.48 85.09 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.0 p-10 -105.71 0.42 26.24 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.088 -1.242 . . . . 0.0 110.045 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.573 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.8 5.29 83.72 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.507 -1.837 . . . . 0.0 108.507 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 63.7 mt-10 -137.86 134.52 35.18 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.93 128.89 48.14 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -79.43 172.76 13.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 110.31 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' B' ' 82' ' ' THR . 13.2 t80 -49.02 -40.04 29.34 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 121.317 -0.865 . . . . 0.0 109.147 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.46 -53.04 48.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.907 -1.121 . . . . 0.0 110.47 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 88.8 mt-10 -61.14 -40.36 93.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.016 . . . . 0.0 111.005 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.86 -36.96 86.04 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.962 -1.086 . . . . 0.0 109.517 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.471 ' CE ' HD23 ' A' ' 10' ' ' LEU . 64.9 mmm -59.91 -38.79 83.33 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.667 -0.645 . . . . 0.0 110.828 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.01 -30.08 69.24 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.751 -1.218 . . . . 0.0 110.735 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 108.975 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.484 ' H ' HG23 ' A' ' 77' ' ' VAL . 2.0 t -60.25 -39.86 81.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 t -66.73 -39.91 88.14 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.554 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.8 mtp -70.04 -41.19 74.54 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.41 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.6 -33.15 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.497 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -40.05 87.95 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.592 HG23 ' CE2' ' B' ' 70' ' ' PHE . 6.5 m -56.87 -37.82 71.87 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.79 83.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.1 m -59.99 -32.87 71.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.553 -0.717 . . . . 0.0 109.484 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.28 -45.95 86.97 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.877 -1.14 . . . . 0.0 108.719 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.084 -1.01 . . . . 0.0 108.775 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.1 -52.49 14.07 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 110.117 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 8.2 t80 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.473 ' C ' ' H ' ' B' ' 2' ' ' GLU . 68.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 3' ' ' LEU . 54.4 p 50.97 10.28 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.169 -0.957 . . . . 0.0 109.71 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 0' ' ' MET . 17.6 pt-20 -75.69 18.51 0.24 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.08 -37.26 79.41 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.46 -0.775 . . . . 0.0 109.4 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.09 -38.07 81.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.116 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -61.8 -40.68 96.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.05 85.9 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.325 -0.859 . . . . 0.0 110.522 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.8 mtt -62.51 -40.02 95.39 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 109.808 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -36.8 77.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.372 0.606 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.99 87.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.729 . . . . 0.0 111.423 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.465 HD23 ' CE ' ' B' ' 74' ' ' MET . 6.5 mp -60.0 -39.99 87.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.707 -1.246 . . . . 0.0 108.658 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.16 -38.8 78.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.667 -0.646 . . . . 0.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -61.57 -49.1 78.0 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.795 -1.191 . . . . 0.0 111.362 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -39.77 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.255 -0.903 . . . . 0.0 110.209 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.92 -38.63 82.88 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.022 -1.048 . . . . 0.0 109.363 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -66.01 -30.23 70.74 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -59.99 -41.02 91.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.306 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -94.92 -21.42 18.65 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.909 -1.119 . . . . 0.0 111.638 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -57.08 -40.04 76.17 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.664 -1.273 . . . . 0.0 107.815 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.92 39.63 2.97 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -64.46 0.99 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.682 -1.481 . . . . 0.0 109.921 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -114.43 -20.17 10.9 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.457 -0.777 . . . . 0.0 109.573 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.73 -14.43 1.77 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 26' ' ' LYS . 4.5 m-20 -76.07 58.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.889 -1.359 . . . . 0.0 108.53 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -60.22 -39.99 88.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -79.63 -20.84 45.8 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.448 -0.783 . . . . 0.0 111.325 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.7 mtmm -140.89 151.56 44.37 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.815 -1.178 . . . . 0.0 110.665 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.73 134.69 49.5 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 108.773 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 30' ' ' SER . 56.9 tttp -101.34 145.93 28.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 108.837 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 18.1 pttp -42.0 -23.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.308 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.499 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -77.21 -54.73 6.13 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 98.2 mt-10 -60.98 -36.12 78.6 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.03 -41.43 92.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.677 -0.639 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.019 -1.051 . . . . 0.0 109.955 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.6 mp0 -65.94 -36.77 84.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.149 -0.969 . . . . 0.0 109.042 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.705 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -60.8 -47.05 88.11 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.652 -1.28 . . . . 0.0 108.606 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.24 -51.51 29.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.758 -0.589 . . . . 0.0 112.011 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 1.146 ' ND2' ' H ' ' B' ' 47' ' ' ILE . 9.5 m120 -73.36 -48.98 29.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.139 -0.976 . . . . 0.0 112.436 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -75.71 -44.98 39.31 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.858 ' O ' HD23 ' B' ' 40' ' ' LEU . 6.1 tp10 -83.27 -14.83 52.31 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.324 -1.485 . . . . 0.0 111.012 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.858 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.6 mt -138.88 49.53 1.87 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.951 -1.093 . . . . 0.0 110.059 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -63.02 -44.95 94.55 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 109.425 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.05 -38.49 8.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.402 -0.812 . . . . 0.0 110.117 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.278 -0.889 . . . . 0.0 109.288 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.574 HD13 ' N ' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -125.77 135.18 51.74 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.574 ' N ' HD13 ' B' ' 44' ' ' LEU . 16.7 pt-20 -51.87 116.9 2.38 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.208 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.06 150.39 3.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.555 -0.716 . . . . 0.0 110.184 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 1.146 ' H ' ' ND2' ' B' ' 37' ' ' ASN . 5.1 mm -84.07 141.32 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -107.47 -17.82 14.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.338 -0.851 . . . . 0.0 110.767 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 52.5 tp10 -139.94 141.74 36.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.961 -1.087 . . . . 0.0 109.929 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -60.07 -27.65 67.14 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.722 -0.611 . . . . 0.0 111.029 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.453 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 19.0 pt-20 -60.08 -38.89 84.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.012 -1.055 . . . . 0.0 110.344 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.05 -39.93 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.04 -1.037 . . . . 0.0 108.75 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.431 HG23 HG21 ' B' ' 47' ' ' ILE . 56.8 t -65.26 -38.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.664 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 63.9 t0 -65.25 -36.32 83.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.374 -0.829 . . . . 0.0 110.2 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.24 -40.04 86.25 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.95 -32.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.632 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.95 67.24 Favored 'General case' 0 C--O 1.197 -1.679 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.503 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.92 -39.97 83.13 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.971 -1.706 . . . . 0.0 106.721 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -74.6 -42.98 57.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.743 -0.598 . . . . 0.0 111.219 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 39.1 mt -89.52 -16.61 30.34 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.78 -1.2 . . . . 0.0 110.487 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.632 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.3 t0 -81.53 62.31 5.35 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.0 -39.72 86.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.625 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -80.97 -7.35 59.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.252 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.67 37.33 84.55 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.322 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 44.9 p-10 -105.62 0.57 26.56 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.138 -1.213 . . . . 0.0 110.124 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.55 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.71 5.07 83.0 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -137.45 134.49 35.88 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -102.23 128.59 48.68 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -79.58 172.45 13.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.147 -0.971 . . . . 0.0 110.345 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' A' ' 82' ' ' THR . 13.4 t80 -48.63 -39.97 26.03 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.448 -0.783 . . . . 0.0 109.226 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.92 -52.74 47.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.834 -1.166 . . . . 0.0 110.439 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.0 mt-10 -61.36 -40.19 93.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 111.003 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.9 -36.89 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.001 -1.062 . . . . 0.0 109.496 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.465 ' CE ' HD23 ' B' ' 10' ' ' LEU . 65.3 mmm -60.02 -38.68 83.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.703 -0.623 . . . . 0.0 110.818 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.1 69.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.758 -1.213 . . . . 0.0 110.77 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.042 -1.036 . . . . 0.0 109.002 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.9 t -60.25 -39.64 81.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -66.88 -40.01 87.66 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.579 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 37.6 mtp -69.95 -40.92 75.15 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 111.428 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.8 -33.33 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.922 -1.111 . . . . 0.0 109.594 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.01 87.56 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.592 HG23 ' CE2' ' A' ' 70' ' ' PHE . 5.9 m -56.77 -37.6 71.31 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.12 84.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.9 m -59.99 -32.68 71.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.537 -0.727 . . . . 0.0 109.43 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -58.33 -46.09 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.886 -1.134 . . . . 0.0 108.756 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.26 -40.03 92.55 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.02 . . . . 0.0 108.666 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -73.05 -52.7 13.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.598 -0.689 . . . . 0.0 110.098 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 7.7 t80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.619 ' NH2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.456 ' CG ' ' N ' ' X' ' 106' ' ' LYS . 4.4 p80 -60.0 -39.98 87.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.71 -1.244 . . . . 0.0 108.067 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.456 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 6.3 tmtm? -59.99 -31.52 69.99 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 109.121 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.05 -24.79 47.62 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.252 -0.905 . . . . 0.0 109.554 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.476 ' O ' ' N ' ' X' ' 112' ' ' THR . 29.9 mmt -59.55 -24.52 63.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.684 -1.26 . . . . 0.0 109.496 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.1 p90 -43.78 -43.99 6.46 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.953 -1.092 . . . . 0.0 109.259 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.8 pttt -68.49 -33.89 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.442 -0.787 . . . . 0.0 108.956 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.476 ' N ' ' O ' ' X' ' 109' ' ' MET . 86.1 m -60.64 -40.03 90.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.584 -0.698 . . . . 0.0 109.357 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 . 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.67 ' NH2' HD13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.444 ' CG ' ' N ' ' Y' ' 106' ' ' LYS . 4.8 p80 -59.95 -39.98 87.41 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 118.736 -1.186 . . . . 0.0 107.955 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 6.4 tmtm? -59.99 -31.6 70.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.084 -1.01 . . . . 0.0 109.212 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.04 -24.77 47.66 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.468 ' O ' ' N ' ' Y' ' 112' ' ' THR . 29.3 mmt -59.52 -24.44 63.66 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.769 -1.207 . . . . 0.0 109.504 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -44.0 -44.08 7.07 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.871 -1.143 . . . . 0.0 109.246 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.7 pttt -68.24 -34.45 76.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.384 -0.822 . . . . 0.0 108.877 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.468 ' N ' ' O ' ' Y' ' 109' ' ' MET . 87.5 m -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.52 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 0.0 . 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t 59.53 25.02 13.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.801 . . . . 0.0 109.419 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.44 8.94 2.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.032 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 3' ' ' LEU . 3.4 tm? -45.82 -24.68 0.41 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.586 -0.696 . . . . 0.0 109.319 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.32 -39.45 89.28 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.037 -1.04 . . . . 0.0 110.668 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -80.36 -29.95 37.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.985 -1.072 . . . . 0.0 109.583 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.39 -42.06 72.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.319 -0.863 . . . . 0.0 111.832 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.505 ' SD ' HD11 ' A' ' 3' ' ' LEU . 39.5 mtt -72.45 -36.14 68.46 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.719 -1.238 . . . . 0.0 109.767 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 -39.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.741 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.33 69.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.282 -0.886 . . . . 0.0 111.023 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.95 -40.1 87.84 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.89 -39.71 82.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.484 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.12 -41.41 92.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.822 -1.174 . . . . 0.0 111.428 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -40.32 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.165 -0.96 . . . . 0.0 110.346 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.25 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.36 -36.21 79.59 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.525 -0.735 . . . . 0.0 111.086 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -60.03 -40.4 89.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.698 -1.252 . . . . 0.0 110.834 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 35' ' ' LEU . 47.8 m-85 -86.12 -33.49 20.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.759 -1.213 . . . . 0.0 112.073 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 p -60.19 -40.02 88.56 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.747 -1.22 . . . . 0.0 109.426 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.9 5.69 78.04 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.98 -47.42 85.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.976 -1.308 . . . . 0.0 110.544 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -99.68 -53.7 3.12 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.075 -1.015 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.37 -22.93 0.14 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.56 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.5 m-20 -82.49 78.35 9.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.782 -1.422 . . . . 0.0 109.156 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.91 -39.91 94.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -79.95 -10.78 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.891 . . . . 0.0 111.12 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.4 ttmm -141.54 139.55 33.24 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.864 -1.147 . . . . 0.0 110.206 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -108.46 128.74 55.06 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 30' ' ' SER . 49.6 mtmt -97.58 157.54 15.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.762 -1.211 . . . . 0.0 109.683 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -50.02 -23.36 2.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 70.3 m -75.69 -49.52 18.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.46 0.648 . . . . 0.0 109.304 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -66.41 -33.07 74.89 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.88 -41.47 96.08 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.76 -34.59 75.84 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.994 -1.066 . . . . 0.0 109.33 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 8.6 tt -65.25 -49.29 70.19 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.831 -1.168 . . . . 0.0 109.188 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 40' ' ' LEU . 78.4 mt -70.47 -47.39 65.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.396 -0.815 . . . . 0.0 111.169 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -68.98 -38.48 79.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.765 -1.209 . . . . 0.0 111.766 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -98.83 -32.59 11.27 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.209 -0.932 . . . . 0.0 113.291 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tm-20 -79.62 -14.24 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.104 -1.623 . . . . 0.0 108.547 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 29.8 mt -114.1 62.11 0.66 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 88.3 p -60.05 -39.83 87.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.128 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -137.5 3.56 2.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.145 -0.972 . . . . 0.0 110.294 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -49.51 75.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 109.034 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.68 177.19 11.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.068 -1.02 . . . . 0.0 110.857 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' GLU . 54.9 tp10 -53.99 99.95 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.705 0.764 . . . . 0.0 109.5 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' A' ' 41' ' ' SER . 53.5 mp0 -50.42 179.53 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 122.028 0.918 . . . . 0.0 110.114 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -102.65 133.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -106.99 -28.73 9.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.26 -0.9 . . . . 0.0 108.891 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -118.58 143.15 46.98 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.15 -15.81 63.01 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.04 -39.72 86.91 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.944 -1.097 . . . . 0.0 109.143 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.3 t -59.92 -38.09 74.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.382 -0.824 . . . . 0.0 108.864 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.79 -34.54 65.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.727 -0.608 . . . . 0.0 110.494 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 47.2 t0 -70.09 -34.64 73.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.015 -1.053 . . . . 0.0 109.634 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -68.74 -39.97 80.06 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.33 -34.74 72.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.587 ' O ' ' N ' ' A' ' 61' ' ' ASP . 73.0 mmm -70.01 -28.93 65.9 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.615 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.67 -37.05 72.76 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.7 m -78.31 -47.12 18.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.052 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -88.83 -10.86 46.54 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.82 -1.175 . . . . 0.0 110.821 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 57' ' ' MET . 63.0 t0 -80.8 63.32 5.16 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.23 -40.0 80.54 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 p-10 -80.72 -6.6 58.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.137 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 36.53 91.23 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 120.097 -1.049 . . . . 0.0 110.575 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.8 p-10 -106.45 -1.06 23.58 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.254 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.545 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 79.44 3.93 88.92 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.6 mt-10 -138.03 140.02 39.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.28 130.65 56.19 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.986 -1.071 . . . . 0.0 108.343 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -82.91 165.96 19.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 0.0 110.433 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE2' HG23 ' B' ' 82' ' ' THR . 23.6 t80 -46.23 -29.16 1.49 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.486 -0.759 . . . . 0.0 109.404 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -71.66 -48.85 44.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.224 -0.923 . . . . 0.0 109.142 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.66 -39.92 80.41 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.55 -27.41 65.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.327 -0.858 . . . . 0.0 108.958 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.453 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.03 -39.81 87.19 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.06 71.71 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.976 -1.077 . . . . 0.0 110.054 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.8 -40.08 91.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.34 -36.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.484 -0.76 . . . . 0.0 110.01 -178.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 74' ' ' MET . 3.5 m -68.94 -40.04 79.22 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.57 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.415 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 90.1 mtp -61.67 -50.0 74.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 110.713 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -67.95 -31.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.63 -1.294 . . . . 0.0 109.968 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -60.0 -40.04 87.84 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.4 -0.812 . . . . 0.0 108.992 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.454 HG23 ' CE2' ' B' ' 70' ' ' PHE . 25.2 m -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.95 89.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 108.693 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.45 ' SG ' ' SD ' ' B' ' 7' ' ' MET . 5.6 m -60.09 -32.74 71.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.83 -0.544 . . . . 0.0 109.807 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -59.9 -39.87 86.85 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -39.92 87.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -77.23 -22.37 52.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 110.096 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 43.0 t80 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.404 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 t 59.59 24.69 13.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.412 -0.805 . . . . 0.0 109.628 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.2 9.1 2.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.023 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.773 HD13 ' O ' ' B' ' 3' ' ' LEU . 3.4 tm? -45.97 -24.89 0.47 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.601 -0.687 . . . . 0.0 109.289 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.14 -39.49 89.9 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.066 -1.021 . . . . 0.0 110.711 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.28 -30.2 38.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.949 -1.094 . . . . 0.0 109.632 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.05 73.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.0 111.867 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' HD11 ' B' ' 3' ' ' LEU . 39.6 mtt -72.6 -35.72 67.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.704 -1.248 . . . . 0.0 109.702 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.58 -40.08 86.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.78 69.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.301 -0.874 . . . . 0.0 110.952 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.56 -40.46 87.36 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -67.49 -39.9 83.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.15 -41.38 92.64 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.841 -1.162 . . . . 0.0 111.41 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -40.23 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.983 . . . . 0.0 110.445 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.97 -40.01 87.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.304 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.59 -35.91 79.19 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.412 -0.805 . . . . 0.0 111.166 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -60.02 -40.5 89.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.702 -1.249 . . . . 0.0 110.784 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' B' ' 35' ' ' LEU . 48.5 m-85 -86.08 -33.52 20.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.843 -1.161 . . . . 0.0 112.048 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -60.0 -40.1 88.05 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.755 -1.216 . . . . 0.0 109.536 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 5.54 78.52 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.93 -47.61 85.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.866 -1.373 . . . . 0.0 110.442 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -99.47 -53.91 3.08 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.53 -22.5 0.13 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 -82.5 78.16 9.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.837 -1.39 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.94 -39.95 94.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.481 -0.762 . . . . 0.0 109.982 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -79.86 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.903 . . . . 0.0 111.155 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 14.1 ttmm -141.75 139.47 32.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.795 -1.191 . . . . 0.0 110.088 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -108.54 128.76 55.1 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' B' ' 30' ' ' SER . 50.4 mtmt -97.46 157.44 16.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.707 -1.246 . . . . 0.0 109.749 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -50.0 -23.5 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.404 ' N ' ' C ' ' B' ' 28' ' ' LYS . 56.4 m -75.97 -49.05 18.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.34 -33.38 75.61 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.73 -41.41 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.816 -0.553 . . . . 0.0 109.74 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -60.13 -39.8 87.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.203 -0.936 . . . . 0.0 110.316 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.06 -34.24 74.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.977 -1.077 . . . . 0.0 109.316 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 8.7 tt -65.44 -49.44 69.16 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.739 -1.225 . . . . 0.0 109.1 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.23 -47.65 65.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.436 -0.79 . . . . 0.0 111.211 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -68.48 -38.9 81.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.799 -1.188 . . . . 0.0 111.78 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -98.7 -32.69 11.27 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.191 -0.943 . . . . 0.0 113.31 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tm-20 -79.58 -14.07 59.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.108 -1.62 . . . . 0.0 108.577 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.42 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 29.7 mt -114.35 62.0 0.67 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 87.9 p -59.95 -39.74 86.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.156 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -137.72 3.32 2.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.14 -0.975 . . . . 0.0 110.214 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -49.86 74.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.851 -1.155 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.41 177.3 11.52 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.118 -0.989 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 46' ' ' GLU . 54.9 tp10 -53.93 99.53 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.682 0.753 . . . . 0.0 109.541 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 41' ' ' SER . 54.3 mp0 -50.16 179.47 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.983 0.897 . . . . 0.0 110.253 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -102.48 133.68 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' HG3' HH12 ' Y' ' 104' ' ' ARG . 48.2 mmtt -106.97 -28.51 10.01 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.266 -0.896 . . . . 0.0 108.971 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -118.59 142.69 47.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.624 -0.672 . . . . 0.0 109.737 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.82 -15.88 63.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 14.8 pt-20 -59.9 -39.79 86.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.969 -1.082 . . . . 0.0 109.313 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.407 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 85.2 t -59.96 -37.8 73.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.04 -34.32 63.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.673 -0.642 . . . . 0.0 110.437 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 47.2 t0 -70.16 -34.88 73.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.056 -1.028 . . . . 0.0 109.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -68.7 -40.04 80.22 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 t -66.18 -34.82 72.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 61' ' ' ASP . 72.8 mmm -69.95 -28.79 65.85 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.71 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.86 -36.96 73.06 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -78.39 -47.28 17.96 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.026 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 60' ' ' LEU . 3.8 mm? -88.7 -10.74 47.36 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.805 -1.185 . . . . 0.0 110.821 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 57' ' ' MET . 63.0 t0 -80.83 63.32 5.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.12 -40.09 80.35 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.282 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 42.5 p-10 -80.66 -6.49 58.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.993 -1.067 . . . . 0.0 109.196 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.53 91.43 Favored Glycine 0 N--CA 1.496 2.682 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.531 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.3 p-10 -106.46 -1.04 23.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.078 -1.249 . . . . 0.0 110.224 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.508 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.46 3.74 88.86 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.2 mt-10 -137.69 139.99 40.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.18 130.46 56.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.986 -1.071 . . . . 0.0 108.374 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -82.77 166.05 19.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.31 -0.868 . . . . 0.0 110.434 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 82' ' ' THR . 23.7 t80 -46.26 -29.14 1.49 Allowed 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.503 -0.748 . . . . 0.0 109.501 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.55 -48.68 46.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.144 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.199 -0.938 . . . . 0.0 109.606 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -69.81 -27.16 64.66 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.286 -0.884 . . . . 0.0 108.966 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.446 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.02 -40.01 87.81 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.97 71.45 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.879 -1.138 . . . . 0.0 110.078 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.66 -40.08 90.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.042 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -36.53 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.433 -0.792 . . . . 0.0 109.903 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 74' ' ' MET . 3.6 m -69.17 -40.01 78.38 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.619 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.57 -49.84 75.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 110.804 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.25 -31.06 49.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.727 -1.233 . . . . 0.0 109.961 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.3 m -60.08 -40.08 88.29 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.824 0.821 . . . . 0.0 108.911 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.474 HG23 ' CE2' ' A' ' 70' ' ' PHE . 26.5 m -60.12 -39.9 87.83 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.03 89.21 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.419 ' SG ' ' SD ' ' A' ' 7' ' ' MET . 5.7 m -59.99 -32.78 71.17 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.835 -0.541 . . . . 0.0 109.882 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -59.83 -40.13 87.42 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -59.95 -39.82 86.88 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -77.32 -22.5 51.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.506 -0.746 . . . . 0.0 110.026 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 42.7 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 120.965 -1.085 . . . . 0.0 109.364 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' X' ' 106' ' ' LYS . 27.8 p80 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 36.8 ttpt -60.02 -29.57 68.59 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.2 -39.9 80.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.434 -0.791 . . . . 0.0 108.971 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.465 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 7.1 tp -79.67 -24.74 41.57 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.033 0.921 . . . . 0.0 109.661 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' X' ' 110' ' ' PHE . 31.3 mmt -60.7 -24.8 65.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.622 -1.298 . . . . 0.0 111.062 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' X' ' 109' ' ' MET . 2.5 p90 -45.28 -39.01 6.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.664 -1.273 . . . . 0.0 110.505 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.465 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 13.4 mtmt -69.9 -40.01 75.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.658 -1.277 . . . . 0.0 108.498 177.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -27.9 66.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.568 -0.707 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.441 HH12 ' HG3' ' B' ' 48' ' ' LYS . 10.3 ptp180 . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' Y' ' 106' ' ' LYS . 28.1 p80 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 36.9 ttpt -59.98 -29.66 68.59 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -58.14 -39.91 79.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.338 -0.851 . . . . 0.0 109.003 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.438 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 7.1 tp -79.71 -24.63 41.54 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.972 0.891 . . . . 0.0 109.606 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.408 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 32.0 mmt -60.77 -24.81 66.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.625 -1.297 . . . . 0.0 110.992 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' Y' ' 109' ' ' MET . 2.4 p90 -45.24 -38.83 5.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 110.567 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.438 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 13.5 mtmt -70.02 -39.75 75.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.69 -1.256 . . . . 0.0 108.504 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -28.2 67.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.675 -0.641 . . . . 0.0 . 179.53 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.6 m 60.04 24.84 14.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.49 21.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.399 -0.813 . . . . 0.0 109.33 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.0 tp -59.96 -34.09 72.81 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.09 -40.03 88.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.386 -0.821 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.5 mppt? -69.93 -38.66 76.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.102 -0.999 . . . . 0.0 109.881 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -39.97 83.68 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.217 -0.927 . . . . 0.0 110.976 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.012 -1.055 . . . . 0.0 109.655 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.47 -39.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.622 0.725 . . . . 0.0 109.239 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.98 93.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.693 -0.629 . . . . 0.0 111.648 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.729 -1.232 . . . . 0.0 108.209 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.752 -0.592 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -43.93 97.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.803 -1.186 . . . . 0.0 111.739 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -40.06 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.951 -1.093 . . . . 0.0 110.62 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 27' ' ' LEU . 64.9 t80 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 109.454 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -77.61 -22.21 51.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.92 -1.113 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -55.04 -45.0 75.17 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.102 -0.999 . . . . 0.0 110.569 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CE1' HD23 ' A' ' 35' ' ' LEU . 27.0 p90 -116.18 -26.01 7.38 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.138 -0.976 . . . . 0.0 111.567 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 84.2 p -59.99 -39.95 87.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.656 -1.278 . . . . 0.0 109.322 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.73 -3.5 50.01 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 35.1 ttt-85 -59.98 -44.03 94.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.34 -1.094 . . . . 0.0 109.586 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.4 mm-40 -114.31 160.01 19.56 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.555 0.693 . . . . 0.0 110.06 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.37 -14.72 0.06 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.0 m-20 -80.03 50.65 1.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.785 -1.421 . . . . 0.0 109.714 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -70.62 -40.01 73.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.978 -1.076 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -81.91 -14.24 56.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.238 -0.914 . . . . 0.0 111.066 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.4 pttt -138.74 159.9 40.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.065 -1.022 . . . . 0.0 108.951 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 14' ' ' PHE . 7.5 tp -113.55 120.49 41.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 0.0 109.048 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -94.74 147.8 22.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.824 -1.173 . . . . 0.0 108.703 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.1 pttm -41.49 -23.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.457 -0.777 . . . . 0.0 109.238 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.88 -49.5 37.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.457 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.99 -36.88 83.15 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.119 -0.988 . . . . 0.0 108.911 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.05 -39.03 84.58 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.566 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 36.9 tp10 -66.64 -39.96 88.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.405 -0.809 . . . . 0.0 110.261 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.602 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.1 tm? -60.1 -49.52 77.34 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.284 1.04 . . . . 0.0 108.525 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mt -77.53 -48.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.259 -0.901 . . . . 0.0 112.813 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.7 -41.18 27.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.916 -1.115 . . . . 0.0 113.285 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.566 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 55.1 t30 -97.06 -33.99 11.33 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.846 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.9 tp10 -88.28 -14.63 37.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.272 -1.518 . . . . 0.0 110.476 -177.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 39' ' ' GLU . 11.0 mt -143.48 51.27 1.36 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.959 -1.088 . . . . 0.0 109.698 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -60.94 -47.76 84.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.042 -1.036 . . . . 0.0 110.404 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -96.86 -37.19 10.34 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.916 -1.115 . . . . 0.0 110.933 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.17 -38.26 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.155 -0.965 . . . . 0.0 110.264 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -125.23 157.78 35.71 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -54.17 106.91 0.22 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.52 144.71 46.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.454 -0.778 . . . . 0.0 109.567 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -91.29 137.96 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -105.03 -19.51 13.81 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 77.9 tt0 -140.04 140.7 36.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.184 -0.948 . . . . 0.0 109.911 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.23 -20.55 66.11 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.306 -0.871 . . . . 0.0 110.788 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 17.3 pt-20 -60.04 -37.6 80.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.099 . . . . 0.0 109.286 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.95 -40.01 81.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 59.3 t0 -64.84 -38.25 90.36 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.085 0.945 . . . . 0.0 109.565 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.737 ' HZ1' ' CE1' ' X' ' 105' ' ' HIS . 33.4 ttpt -68.56 -40.0 80.81 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.22 -27.65 41.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -69.55 -32.63 71.55 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.124 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.8 -37.65 68.9 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.12 -1.613 . . . . 0.0 106.857 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -82.15 -44.15 16.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.764 -0.585 . . . . 0.0 111.81 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 53.2 mt -88.71 -19.02 26.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.855 -1.153 . . . . 0.0 110.771 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.8 t0 -80.9 62.95 5.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 87.6 mt-10 -58.77 -39.16 80.19 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.51 -16.33 61.29 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.2 33.43 87.22 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.0 p-10 -108.2 6.91 27.14 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -1.204 . . . . 0.0 110.247 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.56 10.03 86.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.9 mt-10 -145.64 128.47 16.34 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 135.48 39.31 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.763 -1.211 . . . . 0.0 108.537 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -69.04 160.67 30.55 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.81 -39.97 19.74 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.96 -46.39 89.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.658 -0.651 . . . . 0.0 110.866 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 38.0 mt-10 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.98 -1.075 . . . . 0.0 110.545 -177.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -67.52 -34.42 77.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.067 -1.021 . . . . 0.0 109.458 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.0 mmm -59.95 -35.72 75.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.242 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -32.11 70.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.801 -1.187 . . . . 0.0 110.648 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.756 -1.215 . . . . 0.0 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.446 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -61.38 -34.87 63.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.479 0.656 . . . . 0.0 109.458 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -60.06 -39.98 87.88 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.465 -0.772 . . . . 0.0 110.368 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.5 mtm -79.09 -44.45 22.08 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.604 -1.238 . . . . 0.0 111.885 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 20.7 t -60.03 -38.56 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.598 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.08 -39.99 88.0 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -36.99 62.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -62.01 -40.0 94.19 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.98 -36.34 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.635 -0.665 . . . . 0.0 109.818 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -59.95 -40.49 89.17 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.055 -1.028 . . . . 0.0 109.075 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.76 -40.95 98.87 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.9 -1.125 . . . . 0.0 108.421 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.29 -38.31 56.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.446 -0.784 . . . . 0.0 109.721 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.214 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.449 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 60.01 24.74 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.16 -0.962 . . . . 0.0 109.605 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.44 21.85 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 109.254 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.9 tp -60.02 -34.14 72.96 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.205 -0.934 . . . . 0.0 109.325 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -39.95 87.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.343 -0.848 . . . . 0.0 111.122 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.465 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -70.01 -38.75 76.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.052 -1.03 . . . . 0.0 109.778 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.05 83.23 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.916 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -64.12 -39.97 95.19 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -39.81 86.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 CA-C-O 121.587 0.708 . . . . 0.0 109.167 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.15 93.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.706 -0.621 . . . . 0.0 111.647 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.712 -1.243 . . . . 0.0 108.24 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -65.65 -39.97 86.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.828 -0.545 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.81 -44.1 97.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.882 -1.136 . . . . 0.0 111.706 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -39.98 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.94 -1.1 . . . . 0.0 110.647 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' B' ' 27' ' ' LEU . 64.6 t80 -60.01 -39.97 87.62 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.746 -1.221 . . . . 0.0 109.39 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -77.67 -22.08 51.12 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.815 -1.178 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -55.04 -45.02 75.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.168 -0.957 . . . . 0.0 110.574 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' HD23 ' B' ' 35' ' ' LEU . 26.2 p90 -116.16 -26.11 7.35 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.14 -0.975 . . . . 0.0 111.609 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 83.0 p -59.99 -39.9 87.29 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.667 -1.271 . . . . 0.0 109.332 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.9 -3.4 50.97 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.356 -1.497 . . . . 0.0 109.356 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 34.5 ttt-85 -60.03 -43.99 94.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.363 -1.081 . . . . 0.0 109.504 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -114.31 160.0 19.57 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.594 0.711 . . . . 0.0 110.055 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -14.74 0.06 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 98.1 m-20 -79.98 50.75 1.24 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.738 -1.448 . . . . 0.0 109.676 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.69 -40.03 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.21 -13.83 56.5 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.164 -0.96 . . . . 0.0 111.065 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' B' ' 23' ' ' ASP . 52.5 pttt -138.87 159.69 41.53 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.092 -1.005 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' B' ' 14' ' ' PHE . 7.3 tp -113.46 120.59 41.55 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.334 -0.854 . . . . 0.0 109.007 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.5 tttt -94.89 147.77 23.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.22 . . . . 0.0 108.661 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' B' ' 28' ' ' LYS . 24.0 pttm -41.44 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.69 0.757 . . . . 0.0 109.246 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -71.85 -49.34 39.16 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.467 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -66.89 -37.12 83.78 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.126 -0.984 . . . . 0.0 108.915 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -39.09 84.52 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.97 -40.03 87.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.409 -0.807 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.583 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 37.2 tp10 -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.453 -0.779 . . . . 0.0 110.222 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.609 HD13 ' C ' ' B' ' 35' ' ' LEU . 3.1 tm? -60.0 -49.52 77.36 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 122.281 1.039 . . . . 0.0 108.577 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -77.57 -47.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 O-C-N 121.371 -0.831 . . . . 0.0 112.848 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.71 -41.27 27.09 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.9 -1.125 . . . . 0.0 113.23 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.583 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 54.7 t30 -96.97 -34.08 11.34 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.828 ' O ' HD23 ' B' ' 40' ' ' LEU . 10.7 tp10 -88.25 -14.7 37.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.285 -1.51 . . . . 0.0 110.494 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.828 HD23 ' O ' ' B' ' 39' ' ' GLU . 11.2 mt -143.34 51.19 1.38 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.932 -1.105 . . . . 0.0 109.74 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -60.52 -48.34 82.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.087 -1.008 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.75 -37.06 10.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.924 -1.11 . . . . 0.0 110.915 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.04 -38.59 83.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -0.97 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -125.07 157.83 35.28 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.34 -0.85 . . . . 0.0 109.063 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -54.15 106.95 0.22 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.264 -0.898 . . . . 0.0 109.089 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.53 144.82 46.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.401 -0.812 . . . . 0.0 109.625 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -91.37 137.86 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -104.96 -19.37 13.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.32 -0.862 . . . . 0.0 109.831 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 76.9 tt0 -140.03 140.73 36.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.287 -0.883 . . . . 0.0 109.84 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.31 -20.72 66.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 110.777 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 16.8 pt-20 -59.97 -37.57 79.99 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 109.304 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.05 -40.02 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.23 -35.73 75.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 O-C-N 121.957 -0.464 . . . . 0.0 109.753 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -65.05 -38.06 89.62 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.053 0.93 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.947 ' HZ1' ' CE1' ' Y' ' 105' ' ' HIS . 33.0 ttpt -68.57 -40.03 80.75 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -66.18 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.555 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -69.6 -32.66 71.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.175 -1.578 . . . . 0.0 106.809 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 61.4 m -82.19 -44.23 16.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.759 -0.588 . . . . 0.0 111.707 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.416 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 53.2 mt -88.72 -18.9 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.832 -1.168 . . . . 0.0 110.792 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.7 t0 -80.86 62.84 5.03 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 88.7 mt-10 -58.59 -39.32 80.04 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.41 -16.38 61.33 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.54 87.52 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.0 p-10 -108.38 7.02 26.88 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.093 -1.24 . . . . 0.0 110.218 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.51 9.97 86.35 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.7 mt-10 -145.66 128.35 16.2 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 135.57 39.14 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' B' ' 70' ' ' PHE . 78.9 m-20 -69.07 160.8 30.34 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' B' ' 69' ' ' ASP . 2.7 t80 -47.82 -39.86 19.56 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.0 -46.47 89.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.637 -0.664 . . . . 0.0 110.904 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 38.0 mt-10 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.025 -1.047 . . . . 0.0 110.54 -177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.72 -34.12 76.24 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.6 mmm -59.97 -35.77 75.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 110.262 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.09 69.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.76 -1.212 . . . . 0.0 110.544 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.718 -1.239 . . . . 0.0 109.372 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.434 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -61.57 -34.71 62.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 CA-C-O 121.429 0.633 . . . . 0.0 109.454 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 54.1 m -60.0 -40.02 87.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.399 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.9 mtm -78.97 -44.46 22.4 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.993 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 83' ' ' ALA . 21.5 t -60.02 -38.7 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.203 -1.399 . . . . 0.0 109.497 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -36.97 62.85 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -62.18 -39.53 92.98 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.0 -36.71 77.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.59 -0.694 . . . . 0.0 109.857 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -59.94 -40.32 88.54 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.034 -1.041 . . . . 0.0 109.15 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.392 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.27 -38.23 56.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.762 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.244 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' X' ' 104' ' ' ARG . 42.6 mtt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.374 0.607 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.737 ' CE1' ' HZ1' ' A' ' 55' ' ' LYS . 10.1 p80 -57.25 -33.1 67.25 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.917 -1.115 . . . . 0.0 108.373 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -59.95 -32.83 71.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.38 -39.97 81.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.885 . . . . 0.0 108.707 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.72 -24.54 44.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.403 -0.811 . . . . 0.0 109.871 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.4 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.2 mmt -57.28 -24.76 56.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.647 -1.283 . . . . 0.0 110.465 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.461 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 1.2 p90 -48.87 -33.78 11.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.529 -1.357 . . . . 0.0 109.284 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.461 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.3 OUTLIER -70.59 -40.1 73.44 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.749 -1.219 . . . . 0.0 109.002 176.398 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -60.82 -32.37 71.75 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.341 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.891 . . . . 0.0 . 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 44.5 mtt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.449 0.642 . . . . 0.0 109.761 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.947 ' CE1' ' HZ1' ' B' ' 55' ' ' LYS . 10.1 p80 -57.15 -33.08 67.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.953 -1.092 . . . . 0.0 108.361 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -60.0 -32.86 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.36 -40.0 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 108.725 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 55.5 tp -78.74 -24.47 44.79 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.367 -0.833 . . . . 0.0 109.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 14.8 mmt -57.34 -24.73 56.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.663 -1.273 . . . . 0.0 110.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.462 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 1.2 p90 -48.85 -33.75 11.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.535 -1.353 . . . . 0.0 109.241 -178.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.462 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.3 OUTLIER -70.46 -40.8 73.49 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.7 -1.25 . . . . 0.0 109.0 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -60.06 -32.03 70.55 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.512 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 77.8 mm-40 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 0.0 . 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mtp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p 53.54 36.97 24.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 109.595 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.94 -1.15 21.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.551 -0.718 . . . . 0.0 109.289 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -48.36 -19.52 0.31 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.462 -0.773 . . . . 0.0 109.999 -178.279 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' NE2' ' B' ' 42' ' ' HIS . 99.7 mt-10 -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.24 -1.538 . . . . 0.0 109.014 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -77.35 -38.13 50.84 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.696 -0.628 . . . . 0.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.27 -39.97 71.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.206 -0.934 . . . . 0.0 112.212 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 2.1 mtt -70.04 -39.93 75.44 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.938 -1.101 . . . . 0.0 109.217 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.18 -32.38 47.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 121.568 -0.708 . . . . 0.0 110.207 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.51 -36.08 63.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.774 . . . . 0.0 110.856 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.07 -43.8 95.2 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.26 -38.13 77.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.48 -44.03 96.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.021 -1.049 . . . . 0.0 112.244 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -39.88 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.831 -1.168 . . . . 0.0 109.693 -178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 15.8 t80 -58.69 -39.97 82.28 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.2 -37.03 79.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 111.078 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -59.95 -40.65 89.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.735 -1.228 . . . . 0.0 110.876 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 44.6 m-85 -86.67 -34.32 19.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.697 -1.252 . . . . 0.0 111.924 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 4.9 t -60.05 -40.03 88.02 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.93 -1.106 . . . . 0.0 109.727 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.37 -6.97 77.33 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 20' ' ' ARG . 38.1 ttt-85 -60.01 -46.72 88.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.129 -1.218 . . . . 0.0 109.635 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -115.0 159.63 20.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.65 0.738 . . . . 0.0 110.057 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.36 -18.84 0.6 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 26' ' ' LYS . 5.3 m-20 -79.45 59.78 3.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.829 -1.395 . . . . 0.0 110.053 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' O ' ' OG ' ' A' ' 18' ' ' SER . 33.4 ttmt -62.44 -39.95 95.03 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.955 -1.091 . . . . 0.0 109.345 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.72 -17.97 52.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 111.467 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.5 mttt -140.72 156.54 46.17 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.717 -1.239 . . . . 0.0 111.144 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.01 132.1 53.88 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.4 mtpm? -102.98 150.44 23.54 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' LYS . 19.5 pttp -42.37 -26.55 0.11 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.873 0.844 . . . . 0.0 109.063 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -75.88 -49.91 16.56 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.577 0.703 . . . . 0.0 109.4 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 56.1 tt0 -68.21 -32.99 73.6 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.03 -38.79 83.77 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HD3' HG21 ' A' ' 53' ' ' VAL . 9.2 tptp -57.72 -40.0 78.55 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.0 -40.05 83.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.861 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -59.97 -50.01 75.44 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.569 -1.332 . . . . 0.0 108.713 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.433 HG23 HD12 ' A' ' 40' ' ' LEU . 49.1 mt -74.97 -46.78 39.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.714 -0.616 . . . . 0.0 112.312 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -66.81 -40.04 87.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.04 -1.038 . . . . 0.0 112.513 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -99.25 -33.73 10.63 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 39' ' ' GLU . 2.5 tm-20 -82.55 -19.19 39.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.224 -1.547 . . . . 0.0 110.005 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HG23 ' A' ' 36' ' ' ILE . 28.6 mt -115.48 33.46 5.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.21 -0.931 . . . . 0.0 109.282 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -59.95 -40.11 87.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.444 ' NE2' ' OE2' ' B' ' 4' ' ' GLU . 54.8 p-80 -117.49 -11.36 10.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 8.8 t80 -64.33 -43.94 93.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.817 -1.177 . . . . 0.0 109.197 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 44' ' ' LEU . 1.9 pp -160.38 176.59 11.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.821 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -53.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 12.5 pt-20 -61.1 -175.9 0.05 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 109.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.466 HG21 HG23 ' A' ' 53' ' ' VAL . 5.1 mm -93.05 146.96 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 110.049 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 30.1 mmtp -113.73 -23.6 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.702 -0.624 . . . . 0.0 109.633 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -131.88 154.71 48.93 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.99 -25.74 63.75 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.4 -40.02 89.4 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.171 -0.956 . . . . 0.0 110.62 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.37 -39.88 82.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 120.975 -1.078 . . . . 0.0 108.697 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.466 HG23 HG21 ' A' ' 47' ' ' ILE . 61.0 t -62.63 -39.96 86.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.529 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.25 -39.95 92.23 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.64 -0.663 . . . . 0.0 109.627 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.59 -40.02 95.88 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.07 -31.34 53.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.3 mmm -69.96 -28.32 65.45 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.706 -0.798 . . . . 0.0 108.869 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -39.92 87.31 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -80.39 -40.05 27.24 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 76' ' ' PHE . 4.0 mm? -88.34 -18.05 29.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.849 -1.157 . . . . 0.0 110.5 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -79.46 60.87 3.33 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.99 -34.87 73.91 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -77.31 -10.03 59.19 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.32 28.71 72.73 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.78 5.42 28.59 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.104 -1.233 . . . . 0.0 110.263 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.539 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 77.3 9.07 87.02 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -139.49 136.06 34.17 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 16.9 p -103.2 128.09 50.28 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 43.7 t0 -74.33 165.95 24.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.183 -0.948 . . . . 0.0 110.243 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -53.09 -37.1 61.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.19 -0.944 . . . . 0.0 108.898 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.29 -37.88 81.1 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.187 -0.946 . . . . 0.0 109.578 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.96 -40.18 87.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.936 -1.103 . . . . 0.0 109.639 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 77' ' ' VAL . 83.4 t80 -64.94 -33.86 77.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 109.611 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -39.65 85.92 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.877 -0.514 . . . . 0.0 110.398 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.01 68.76 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.674 -1.211 . . . . 0.0 111.083 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.702 ' HB2' HD11 ' A' ' 60' ' ' LEU . 73.1 t80 -70.24 -20.78 63.05 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.139 . . . . 0.0 110.534 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.461 HG11 HD21 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -80.03 -31.65 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.908 -1.12 . . . . 0.0 109.562 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 p -69.91 -40.38 75.61 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.596 -1.242 . . . . 0.0 109.701 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.06 -41.55 70.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.07 -1.019 . . . . 0.0 110.65 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 76' ' ' PHE . 87.7 t -63.35 -39.43 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.455 -1.403 . . . . 0.0 109.092 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -37.02 78.37 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 m -52.37 -39.17 60.45 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 109.366 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.02 -38.8 83.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.329 -0.857 . . . . 0.0 109.961 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -57.43 -39.88 77.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 0.0 109.201 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.681 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.11 -24.25 21.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.015 -1.053 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.5 2.049 0 O-C-N 120.937 -1.102 . . . . 0.0 108.448 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.8 p 53.6 36.99 24.91 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 109.499 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -74.88 -1.42 22.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.535 -0.728 . . . . 0.0 109.168 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.539 ' O ' HD23 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -48.12 -19.66 0.29 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 110.071 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' NE2' ' A' ' 42' ' ' HIS . 98.9 mt-10 -66.8 -40.45 88.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.177 -1.577 . . . . 0.0 109.133 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -77.14 -38.29 52.29 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.763 -0.585 . . . . 0.0 110.906 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -40.02 71.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.197 -0.94 . . . . 0.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.547 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 2.0 mtt -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.834 -1.166 . . . . 0.0 109.229 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -71.25 -32.26 46.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.538 -0.726 . . . . 0.0 110.103 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.23 -36.94 63.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.795 . . . . 0.0 110.717 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -60.0 -43.19 95.35 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.57 -38.43 76.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.859 -0.526 . . . . 0.0 110.215 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.17 -43.85 95.48 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.077 -1.014 . . . . 0.0 112.366 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -39.9 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.766 -1.209 . . . . 0.0 109.565 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' B' ' 70' ' ' PHE . 15.4 t80 -58.44 -40.02 81.41 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 119.301 -0.96 . . . . 0.0 108.718 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.07 -36.83 78.21 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.203 -0.936 . . . . 0.0 111.193 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -59.98 -40.53 89.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.761 -1.212 . . . . 0.0 110.995 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.454 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 44.3 m-85 -86.87 -34.66 19.37 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.76 -1.212 . . . . 0.0 111.881 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 4.9 t -59.9 -40.02 87.39 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.977 -1.077 . . . . 0.0 109.76 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -6.74 76.44 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -60.12 -46.78 88.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.26 . . . . 0.0 109.559 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -115.05 159.4 20.86 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.708 0.766 . . . . 0.0 110.068 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.11 -18.73 0.49 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 26' ' ' LYS . 5.5 m-20 -79.57 59.37 2.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.859 -1.377 . . . . 0.0 110.053 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.472 ' O ' ' OG ' ' B' ' 18' ' ' SER . 33.5 ttmt -62.08 -40.01 94.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.99 -1.069 . . . . 0.0 109.402 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -79.85 -17.88 52.13 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 111.409 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 23' ' ' ASP . 98.9 mttt -140.5 155.95 46.49 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.78 -1.2 . . . . 0.0 111.144 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -107.94 132.13 53.81 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.5 mtpm? -103.09 150.49 23.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -42.44 -26.7 0.12 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.913 0.863 . . . . 0.0 109.062 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.1 t -75.71 -49.98 16.69 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.589 0.709 . . . . 0.0 109.343 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 57.2 tt0 -68.36 -32.79 73.14 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.03 -38.52 82.96 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.417 ' HD3' HG21 ' B' ' 53' ' ' VAL . 9.0 tptp -58.11 -39.8 79.57 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.573 -0.704 . . . . 0.0 109.182 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.34 -39.99 81.73 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.908 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.732 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.01 -50.09 75.11 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.508 -1.37 . . . . 0.0 108.446 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.461 HG23 HD12 ' B' ' 40' ' ' LEU . 41.3 mt -74.77 -46.59 40.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.594 -0.691 . . . . 0.0 112.504 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.01 -40.04 87.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.969 -1.082 . . . . 0.0 112.518 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -98.87 -34.4 10.49 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.15 -19.24 40.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.171 -1.581 . . . . 0.0 110.194 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.461 HD12 HG23 ' B' ' 36' ' ' ILE . 26.1 mt -115.33 33.54 5.39 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.209 -0.932 . . . . 0.0 109.132 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -39.95 87.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 109.978 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.422 ' NE2' ' OE2' ' A' ' 4' ' ' GLU . 53.9 p-80 -117.54 -11.42 10.48 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.379 -0.826 . . . . 0.0 110.273 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 8.9 t80 -64.27 -43.88 93.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.882 -1.136 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.505 ' C ' HD12 ' B' ' 44' ' ' LEU . 2.0 pp -160.78 176.05 11.91 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.251 -0.906 . . . . 0.0 109.751 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.6 tp10 -52.75 96.56 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 44' ' ' LEU . 12.1 pt-20 -61.15 -176.34 0.06 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.501 -0.75 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.46 HG21 HG23 ' B' ' 53' ' ' VAL . 5.2 mm -92.69 147.09 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.325 -0.86 . . . . 0.0 110.001 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.492 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 30.4 mmtp -113.86 -23.93 9.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.665 -0.647 . . . . 0.0 109.597 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -131.76 154.88 48.61 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.32 -0.862 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.98 -25.91 63.84 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.25 -40.0 88.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.34 -39.91 82.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.02 -1.05 . . . . 0.0 108.675 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.46 HG23 HG21 ' B' ' 47' ' ' ILE . 57.6 t -62.65 -40.07 87.06 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.625 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -61.22 -39.78 91.54 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.557 -0.714 . . . . 0.0 109.551 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.71 -40.08 95.88 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.4 mmm -69.95 -28.39 65.53 Favored 'General case' 0 C--O 1.2 -1.544 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -59.91 -39.99 87.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.5 m -80.18 -40.23 27.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.784 -0.573 . . . . 0.0 111.012 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' B' ' 76' ' ' PHE . 4.1 mm? -87.95 -18.38 29.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.919 -1.113 . . . . 0.0 110.585 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 60.7 t0 -79.26 60.84 3.2 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -59.99 -34.94 74.0 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -77.36 -10.26 59.34 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.54 28.7 72.86 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.6 5.27 28.86 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.142 -1.211 . . . . 0.0 110.184 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.569 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 77.51 9.02 87.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -139.52 135.79 33.83 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 16.1 p -102.94 128.26 49.82 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 40.3 t0 -74.3 166.29 23.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -53.49 -37.17 62.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.0 108.906 -179.185 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.09 -37.76 81.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.128 -0.983 . . . . 0.0 109.568 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.48 -40.04 85.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.879 -1.138 . . . . 0.0 109.559 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.439 ' O ' HG23 ' B' ' 77' ' ' VAL . 85.1 t80 -64.5 -34.25 77.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.419 -0.801 . . . . 0.0 109.608 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.96 -39.53 85.9 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.238 0.542 . . . . 0.0 110.412 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.54 68.23 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.695 -1.253 . . . . 0.0 111.293 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.632 ' HB2' HD11 ' B' ' 60' ' ' LEU . 72.0 t80 -70.94 -20.38 62.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.939 -1.1 . . . . 0.0 110.487 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.487 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -80.09 -31.67 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.005 -1.06 . . . . 0.0 109.569 -179.515 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.9 p -69.77 -40.55 76.01 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.604 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -70.99 -41.69 70.63 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.683 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 76' ' ' PHE . 86.3 t -63.23 -39.54 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.498 -1.376 . . . . 0.0 108.985 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -37.06 78.44 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.6 m -52.36 -39.33 60.64 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.99 -38.33 82.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.345 -0.847 . . . . 0.0 109.977 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -57.71 -39.83 78.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.221 -0.924 . . . . 0.0 109.198 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -39.86 87.28 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.261 -0.9 . . . . 0.0 109.77 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.17 -24.27 21.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.123 -0.986 . . . . 0.0 110.594 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.499 2.008 0 O-C-N 120.964 -1.085 . . . . 0.0 108.434 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.477 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 43.0 t-80 -59.86 -40.0 87.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.888 -1.132 . . . . 0.0 108.604 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.83 -30.43 68.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.219 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.01 -39.85 87.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.922 -1.111 . . . . 0.0 108.281 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 tp -69.69 -31.16 69.03 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.631 -0.668 . . . . 0.0 109.547 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.38 55.88 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.769 -1.207 . . . . 0.0 109.794 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.534 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -39.86 -45.94 1.9 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.742 . . . . 0.0 110.494 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.16 -28.84 42.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.975 -1.078 . . . . 0.0 108.951 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.461 ' N ' ' O ' ' X' ' 109' ' ' MET . 94.3 m -59.96 -40.27 88.49 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.406 -0.809 . . . . 0.0 . 178.857 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.492 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 44.3 t-80 -59.94 -40.01 87.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.92 -1.112 . . . . 0.0 108.577 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.98 -30.39 69.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.116 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.93 -39.93 87.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.861 -1.149 . . . . 0.0 108.25 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.46 -31.12 69.22 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.591 -0.693 . . . . 0.0 109.607 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.35 55.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.718 -1.239 . . . . 0.0 109.802 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 3.9 p90 -39.78 -46.14 1.88 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.456 -0.777 . . . . 0.0 110.462 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.08 -28.93 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.963 -1.086 . . . . 0.0 109.048 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.456 ' N ' ' O ' ' Y' ' 109' ' ' MET . 94.2 m -60.06 -39.9 87.6 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 . 178.837 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.9 mpt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 51.89 18.58 0.81 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.506 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.97 -5.24 42.83 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.489 -0.757 . . . . 0.0 109.472 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -42.52 -25.46 0.08 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.745 -0.597 . . . . 0.0 110.37 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLU . 86.0 tt0 -68.76 -39.96 79.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 109.582 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.3 mppt? -75.54 -35.15 60.74 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.514 -0.741 . . . . 0.0 109.841 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -69.93 -43.32 71.89 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.39 -0.819 . . . . 0.0 111.825 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -66.28 -40.04 89.8 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.901 -1.124 . . . . 0.0 109.738 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.72 -35.64 73.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.831 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -70.03 -36.92 75.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.633 -0.667 . . . . 0.0 111.428 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.92 -40.06 87.56 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.766 -1.209 . . . . 0.0 107.79 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -69.13 -39.88 79.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.868 -0.52 . . . . 0.0 111.07 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.54 -41.7 99.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.67 -1.269 . . . . 0.0 111.742 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -39.92 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.897 -1.127 . . . . 0.0 110.185 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 12.0 t80 -59.25 -36.28 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.933 -1.105 . . . . 0.0 108.611 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -70.13 -28.39 65.34 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.183 -0.948 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.07 -42.01 93.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.48 -1.387 . . . . 0.0 110.14 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.89 -39.48 10.2 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.971 -1.081 . . . . 0.0 111.96 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.493 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . 21.2 p -61.0 -40.82 95.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.125 -0.984 . . . . 0.0 110.504 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.87 -11.78 83.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -60.01 -48.04 83.34 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -1.207 . . . . 0.0 109.063 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -93.19 -4.07 52.72 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.34 -8.16 79.5 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.5 m-20 -80.36 67.79 6.31 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.579 -1.542 . . . . 0.0 108.915 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -69.99 -33.43 72.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.957 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -77.28 -29.14 53.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.159 -0.963 . . . . 0.0 110.699 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.9 pttt -136.95 157.77 45.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.148 -0.97 . . . . 0.0 109.497 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -120.01 129.59 54.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 30' ' ' SER . 91.0 mttt -92.84 152.75 19.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.695 -1.253 . . . . 0.0 110.186 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -49.55 -22.58 1.3 Allowed 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 28' ' ' LYS . 26.4 t -76.05 -53.7 7.95 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.511 0.672 . . . . 0.0 109.337 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.99 -33.97 76.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.26 -41.78 97.5 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.885 -0.509 . . . . 0.0 110.192 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.08 -40.03 95.37 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.988 -1.07 . . . . 0.0 110.251 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.16 -38.14 89.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.143 -0.973 . . . . 0.0 109.467 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.692 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.4 tt -65.69 -48.36 72.29 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.05 -1.031 . . . . 0.0 108.903 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.531 HG23 HD12 ' A' ' 40' ' ' LEU . 74.0 mt -73.35 -46.37 49.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.438 -0.788 . . . . 0.0 111.056 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -68.75 -39.69 80.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.928 -1.108 . . . . 0.0 112.368 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 2.6 m120 -96.91 -35.57 10.85 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.216 -0.927 . . . . 0.0 113.156 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.23 -10.05 59.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.114 -1.616 . . . . 0.0 109.866 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.531 HD12 HG23 ' A' ' 36' ' ' ILE . 24.6 mt -117.6 54.79 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.255 -0.903 . . . . 0.0 108.61 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -60.01 -42.44 94.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.11 -0.994 . . . . 0.0 110.498 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -131.76 1.87 4.03 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.222 -0.924 . . . . 0.0 109.968 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -50.32 73.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.168 -0.958 . . . . 0.0 109.396 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.25 -161.5 0.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.064 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.1 tt0 -52.3 94.85 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.752 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.35 152.98 39.84 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.473 HG21 HG23 ' A' ' 53' ' ' VAL . 36.5 mm -82.22 139.39 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.778 -1.201 . . . . 0.0 109.755 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -117.75 -13.66 10.16 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.497 -0.752 . . . . 0.0 109.149 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.75 150.78 46.5 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.25 -0.906 . . . . 0.0 110.762 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -68.29 -26.46 65.66 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.04 -39.93 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.568 -0.707 . . . . 0.0 111.587 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -39.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.754 -1.216 . . . . 0.0 109.012 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.473 HG23 HG21 ' A' ' 47' ' ' ILE . 89.2 t -64.4 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.764 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -62.05 -39.86 93.78 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.577 -0.702 . . . . 0.0 109.944 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.13 -40.0 93.83 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.17 -33.53 61.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.5 mmm -69.96 -30.03 67.3 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.175 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.44 -35.48 67.9 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -80.59 -46.98 14.82 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.713 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 30.6 mt -88.16 -13.99 39.81 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.826 -1.171 . . . . 0.0 110.605 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.6 t0 -79.85 60.32 3.42 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 62.0 mt-10 -59.95 -40.07 87.75 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.871 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -80.49 -5.51 56.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.299 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.15 33.68 85.98 Favored Glycine 0 N--CA 1.497 2.705 0 C-N-CA 120.124 -1.036 . . . . 0.0 110.963 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 47.9 p-10 -106.42 1.24 25.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.006 -1.29 . . . . 0.0 110.103 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.54 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.02 4.19 89.6 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.9 mt-10 -135.17 133.01 38.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.88 123.32 38.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.901 -1.124 . . . . 0.0 108.834 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.33 163.1 25.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 111.213 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t80 -41.26 -43.01 2.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -67.23 -43.72 81.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.417 -0.802 . . . . 0.0 110.082 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 46.8 mt-10 -63.21 -40.17 96.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.925 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.62 -35.78 75.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.789 -1.195 . . . . 0.0 109.164 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.0 mmm -59.94 -37.51 79.72 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.584 -0.698 . . . . 0.0 110.43 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.01 -33.49 73.74 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.745 -1.222 . . . . 0.0 110.673 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.919 -1.113 . . . . 0.0 110.379 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.15 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 121.198 0.523 . . . . 0.0 109.972 -178.685 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 6.2 p -65.81 -40.05 91.49 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.435 -0.791 . . . . 0.0 110.039 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.0 mtp -70.05 -42.6 72.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.901 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.96 -38.6 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.269 -0.894 . . . . 0.0 109.31 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' CYS . 94.4 m -59.98 -40.03 87.72 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -38.5 33.53 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.01 89.66 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' THR . 61.8 m -61.84 -30.78 71.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.472 -0.767 . . . . 0.0 109.628 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.9 -39.94 87.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.947 -1.096 . . . . 0.0 108.462 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -68.75 -39.91 80.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.857 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -70.09 -43.0 71.98 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.776 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' B' ' 0' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t 51.78 18.59 0.78 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -75.03 -5.25 43.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 109.585 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -42.44 -25.69 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.728 -0.607 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 2' ' ' GLU . 86.0 tt0 -68.78 -39.85 79.98 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.939 -1.1 . . . . 0.0 109.533 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.459 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -75.36 -35.5 61.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.48 -0.763 . . . . 0.0 109.904 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -70.02 -43.25 71.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 111.885 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.4 mtt -66.15 -40.05 90.27 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.966 -1.084 . . . . 0.0 109.684 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.72 -35.57 73.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.663 -0.648 . . . . 0.0 109.723 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -70.02 -37.1 75.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.615 -0.678 . . . . 0.0 111.438 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.94 -40.04 87.6 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.787 -1.196 . . . . 0.0 107.815 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.01 -40.01 80.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.911 -0.493 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.62 -41.55 99.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.61 -1.306 . . . . 0.0 111.765 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -40.03 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.932 -1.105 . . . . 0.0 110.159 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.582 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 13.0 t80 -59.11 -36.45 75.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.89 -1.131 . . . . 0.0 108.55 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -70.11 -28.43 65.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.182 -0.949 . . . . 0.0 111.062 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -60.04 -41.89 93.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.511 -1.368 . . . . 0.0 110.168 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.03 -39.22 10.27 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.938 -1.101 . . . . 0.0 111.967 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 14' ' ' PHE . 20.2 p -61.33 -40.47 94.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.977 . . . . 0.0 110.398 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.11 -11.78 83.23 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -60.03 -47.93 83.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -1.145 . . . . 0.0 109.094 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -93.57 -3.79 52.09 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.49 -8.69 78.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.7 m-20 -80.26 67.86 6.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.566 -1.55 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.01 -33.39 71.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -77.32 -29.39 53.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 51.9 pttt -136.72 157.89 45.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.171 -0.956 . . . . 0.0 109.454 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 tp -119.99 129.92 54.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 30' ' ' SER . 89.2 mttt -93.27 152.8 18.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.728 -1.233 . . . . 0.0 110.098 -178.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -49.54 -22.46 1.26 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.422 ' N ' ' C ' ' B' ' 28' ' ' LYS . 26.8 t -76.22 -53.3 8.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.318 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.31 -41.85 97.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.866 -0.521 . . . . 0.0 110.166 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.07 -40.04 95.4 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.065 -1.022 . . . . 0.0 110.256 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.01 -38.46 91.15 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.397 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.665 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.6 tt -65.38 -48.56 72.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.058 -1.026 . . . . 0.0 108.925 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 HD12 ' B' ' 40' ' ' LEU . 74.0 mt -73.2 -46.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.46 -0.775 . . . . 0.0 111.213 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -68.94 -39.61 79.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.892 -1.13 . . . . 0.0 112.285 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 2.6 m120 -96.95 -35.74 10.77 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.161 -0.962 . . . . 0.0 113.194 -176.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.04 -10.01 59.75 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.133 -1.604 . . . . 0.0 109.849 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.54 HD12 HG23 ' B' ' 36' ' ' ILE . 24.5 mt -117.75 54.73 0.89 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -59.96 -42.53 94.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.55 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -131.81 2.05 4.02 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.279 -0.888 . . . . 0.0 110.011 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -50.38 72.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.436 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.4 -161.43 0.8 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.771 -1.206 . . . . 0.0 111.092 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' Y' ' 105' ' ' HIS . 86.0 tt0 -52.28 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.65 0.738 . . . . 0.0 110.681 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.43 153.19 39.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.476 HG21 HG23 ' B' ' 53' ' ' VAL . 35.7 mm -82.72 139.02 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.84 -1.163 . . . . 0.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -117.18 -13.43 10.5 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.568 -0.707 . . . . 0.0 109.241 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.79 150.49 46.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.218 -0.926 . . . . 0.0 110.734 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -67.99 -26.57 65.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -60.14 -39.92 88.01 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.569 -0.707 . . . . 0.0 111.659 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.4 -39.7 85.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.772 -1.205 . . . . 0.0 108.966 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.476 HG23 HG21 ' B' ' 47' ' ' ILE . 90.7 t -64.27 -39.99 87.47 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.785 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.04 -40.02 94.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.526 -0.734 . . . . 0.0 109.962 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.18 -33.35 60.42 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.6 mmm -69.97 -30.16 67.44 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.079 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.33 -35.31 67.46 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -80.94 -46.88 14.48 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.591 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.431 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 29.8 mt -88.01 -14.2 39.66 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.881 -1.137 . . . . 0.0 110.7 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.9 t0 -79.73 60.33 3.35 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.452 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 62.1 mt-10 -59.97 -40.02 87.64 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 -178.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -80.59 -5.41 56.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.134 -0.979 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.23 33.67 85.82 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.0 -1.095 . . . . 0.0 110.981 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 47.8 p-10 -106.5 1.33 25.38 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.943 -1.328 . . . . 0.0 110.12 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.0 4.28 89.6 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.9 mt-10 -135.19 133.28 38.92 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 123.38 38.64 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.911 -1.118 . . . . 0.0 108.779 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 70' ' ' PHE . 96.0 m-20 -69.36 163.28 25.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 111.211 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.582 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 6.2 t80 -41.4 -42.87 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.16 -43.94 81.01 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.434 -0.792 . . . . 0.0 110.18 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 46.9 mt-10 -63.16 -40.04 96.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.462 -0.774 . . . . 0.0 110.949 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.92 -35.66 74.73 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.838 -1.163 . . . . 0.0 109.147 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mmm -60.0 -37.62 80.24 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.272 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.455 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.83 -33.51 73.94 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.781 -1.199 . . . . 0.0 110.738 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.892 -1.13 . . . . 0.0 110.314 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.462 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -63.87 -37.92 81.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-O 121.284 0.564 . . . . 0.0 109.934 -178.78 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 8.5 p -65.84 -40.08 91.41 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 110.093 -178.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.4 mtp -70.16 -42.39 72.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.85 -38.53 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 84' ' ' CYS . 94.2 m -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -38.64 32.45 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.99 89.45 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' B' ' 81' ' ' THR . 61.2 m -61.8 -30.52 70.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.457 -0.777 . . . . 0.0 109.628 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.939 -1.101 . . . . 0.0 108.451 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -68.75 -40.06 79.98 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 108.789 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.0 -42.85 72.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 108.747 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.745 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.498 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 77.6 t60 -58.24 -39.08 78.2 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -58.85 -25.39 63.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.94 -29.36 66.48 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.336 -0.852 . . . . 0.0 109.462 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -56.14 -24.48 41.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.256 -1.527 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.08 -45.0 7.86 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.12 -0.987 . . . . 0.0 109.493 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.569 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 24.2 pttt -61.62 -39.57 91.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 71.7 p -68.33 -27.59 66.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.385 -0.822 . . . . 0.0 109.128 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.452 -0.78 . . . . 0.0 . 179.177 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.45 ' N ' ' OE2' ' B' ' 45' ' ' GLU . 78.3 t60 -58.35 -38.92 78.19 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -58.98 -25.34 63.51 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.98 -29.5 66.62 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.406 -0.809 . . . . 0.0 109.317 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.09 -24.49 40.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.343 -1.473 . . . . 0.0 109.24 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.564 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.09 -44.66 7.68 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.044 -1.035 . . . . 0.0 109.467 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.564 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 24.9 pttt -62.05 -40.0 94.27 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 58.8 p -67.3 -27.88 67.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.828 . . . . 0.0 109.274 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.492 -0.755 . . . . 0.0 . 179.597 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.367 0.603 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.467 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.3 t 62.52 14.04 6.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 109.643 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.15 9.8 2.32 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.98 -39.75 86.76 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.611 -0.68 . . . . 0.0 110.182 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -52.0 -40.01 60.33 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.806 -1.184 . . . . 0.0 110.388 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -69.73 -35.0 74.62 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.192 -0.943 . . . . 0.0 109.387 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.119 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.538 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 28.4 mmm -66.74 -40.01 88.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.71 -34.96 67.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.0 82.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.612 -0.68 . . . . 0.0 111.569 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.567 -1.333 . . . . 0.0 107.822 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.56 -39.67 84.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.854 -0.529 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -65.14 -42.16 94.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.639 -1.288 . . . . 0.0 111.977 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -41.36 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.777 -1.202 . . . . 0.0 110.048 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 63.8 t80 -59.14 -39.18 81.59 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.08 -35.6 79.14 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.547 -0.721 . . . . 0.0 111.198 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.84 -39.96 86.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.673 -1.267 . . . . 0.0 111.214 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.41 -26.21 18.13 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 120.498 -1.377 . . . . 0.0 111.713 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.513 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 66.8 m -60.02 -40.0 87.78 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.979 -1.076 . . . . 0.0 109.6 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.26 43.2 2.98 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.519 ' NE ' ' OE1' ' A' ' 34' ' ' GLU . 13.2 mmt180 -79.85 -70.04 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.068 -1.254 . . . . 0.0 110.442 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.23 -13.0 15.24 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.443 -0.786 . . . . 0.0 110.318 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.44 -11.67 2.48 Favored Glycine 0 N--CA 1.497 2.752 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.855 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 26' ' ' LYS . 11.0 m-20 -80.85 72.68 7.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.564 -1.551 . . . . 0.0 108.628 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -69.99 -45.76 66.64 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.513 0.673 . . . . 0.0 110.185 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.19 -1.8 58.23 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.763 . . . . 0.0 110.568 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' ASP . 3.7 ttmp? -139.45 148.34 42.61 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 108.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -119.7 125.5 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' SER . 64.8 tttm -92.99 149.16 21.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.032 -1.042 . . . . 0.0 109.351 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -46.01 -22.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' LYS . 84.3 p -75.58 -48.71 21.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.61 -35.26 79.76 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.03 -42.08 93.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.844 -0.535 . . . . 0.0 110.27 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.15 -39.95 92.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.057 -1.027 . . . . 0.0 109.935 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' OE1' ' NE ' ' A' ' 20' ' ' ARG . 98.9 mt-10 -67.18 -39.03 86.36 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.248 -0.907 . . . . 0.0 110.011 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.653 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.9 tt -63.97 -48.76 75.21 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.741 -1.225 . . . . 0.0 108.946 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -74.22 -44.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.469 -0.769 . . . . 0.0 111.209 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -69.03 -38.9 79.44 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.943 -1.098 . . . . 0.0 112.258 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -98.27 -35.44 10.34 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 6.8 tp10 -92.33 -20.71 20.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.454 -1.404 . . . . 0.0 110.664 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.76 28.15 8.6 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.567 -0.708 . . . . 0.0 109.457 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 44' ' ' LEU . 5.2 t -69.43 -60.74 2.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.04 -1.037 . . . . 0.0 111.067 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.47 -41.51 55.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 110.625 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.96 -26.29 64.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 0.0 111.091 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 41' ' ' SER . 4.6 tp -139.56 162.61 34.66 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.781 -1.199 . . . . 0.0 108.384 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 53.5 tp10 -60.7 115.05 3.35 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.983 -1.073 . . . . 0.0 109.494 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.67 144.68 42.56 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.539 0.685 . . . . 0.0 109.781 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.408 HG21 HG23 ' A' ' 53' ' ' VAL . 6.0 mm -81.9 140.07 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -105.64 -17.92 14.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.89 . . . . 0.0 110.679 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -138.6 152.45 48.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.178 -0.951 . . . . 0.0 111.238 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.65 -20.47 63.59 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.18 -39.94 95.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.873 . . . . 0.0 110.616 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.81 -40.01 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.893 -1.129 . . . . 0.0 108.651 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.408 HG23 HG21 ' A' ' 47' ' ' ILE . 58.4 t -67.6 -35.17 72.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.076 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.42 -37.83 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 109.566 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.78 -40.03 88.01 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' X' ' 105' ' ' HIS . 24.9 t -62.68 -34.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.3 mmm -69.95 -29.44 66.58 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.349 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -56.98 -36.58 70.52 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -78.71 -47.48 16.81 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.348 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 34.6 mt -89.0 -11.76 43.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.958 -1.089 . . . . 0.0 111.033 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -79.28 59.41 2.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -57.91 -39.23 77.43 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -74.93 -9.98 59.05 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.28 -0.888 . . . . 0.0 108.794 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.28 30.08 76.44 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -106.51 2.61 26.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.194 -1.18 . . . . 0.0 110.356 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.529 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.02 3.88 89.53 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.81 131.53 35.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.37 130.13 46.43 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -74.39 170.19 16.14 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.025 -1.047 . . . . 0.0 109.724 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.457 ' CE2' HG23 ' B' ' 82' ' ' THR . 3.2 t80 -49.76 -40.0 39.62 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.358 -0.839 . . . . 0.0 108.751 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -62.44 -48.36 80.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.53 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 31.8 mt-10 -60.01 -40.09 88.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.916 -1.115 . . . . 0.0 110.219 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.87 -33.79 76.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 109.321 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.466 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.6 OUTLIER -60.03 -38.53 82.99 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 109.828 -178.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.77 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.833 -1.167 . . . . 0.0 111.584 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 80' ' ' VAL . 92.9 t80 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.814 -1.179 . . . . 0.0 110.99 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -74.13 -32.8 33.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -178.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -67.6 -40.65 84.74 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.869 -1.144 . . . . 0.0 109.888 -179.196 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 ptm -72.0 -43.09 65.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.032 -1.043 . . . . 0.0 110.859 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 76' ' ' PHE . 65.1 t -59.98 -38.12 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.524 -1.36 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.516 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 89.0 m -57.29 -37.53 72.56 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' CE2' ' B' ' 70' ' ' PHE . 3.6 m -54.52 -40.48 68.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.44 88.25 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.3 -34.54 68.82 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.45 -0.781 . . . . 0.0 108.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.01 -40.43 89.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.062 -1.024 . . . . 0.0 109.025 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.05 -40.76 90.51 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.427 -0.909 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -72.04 -37.56 69.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.0 109.183 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.447 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 1.3 t 62.31 14.05 6.47 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.284 -0.885 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.29 10.22 2.14 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.0 -39.98 87.65 Favored 'General case' 0 C--O 1.199 -1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.222 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.05 -39.95 60.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.88 -1.138 . . . . 0.0 110.343 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -69.75 -34.79 74.29 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 121.334 -0.854 . . . . 0.0 109.31 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.37 75.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.555 -0.716 . . . . 0.0 112.152 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.516 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 26.1 mmm -66.56 -40.03 88.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.221 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.4 t -68.5 -34.88 67.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.638 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.667 -0.646 . . . . 0.0 111.601 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.596 -1.315 . . . . 0.0 107.758 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.44 -39.51 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.822 -0.549 . . . . 0.0 111.359 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.38 -42.25 92.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.69 -1.256 . . . . 0.0 112.028 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -41.7 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 120.819 -1.176 . . . . 0.0 110.042 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.545 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 62.8 t80 -59.02 -39.17 81.08 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.243 -0.91 . . . . 0.0 108.668 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.15 -35.61 79.3 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.529 -0.732 . . . . 0.0 111.124 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -59.82 -40.03 87.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 0.0 111.214 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.3 -26.25 18.21 Favored 'General case' 0 N--CA 1.51 2.575 0 O-C-N 120.566 -1.334 . . . . 0.0 111.612 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 73.6 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.996 -1.065 . . . . 0.0 109.592 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.43 43.36 3.03 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.522 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 13.2 mmt180 -79.93 -69.97 0.55 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.163 -1.198 . . . . 0.0 110.413 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -107.45 -12.68 15.26 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.439 -0.788 . . . . 0.0 110.339 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.18 -11.83 2.55 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.796 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' B' ' 26' ' ' LYS . 11.5 m-20 -80.68 72.57 7.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.558 -1.554 . . . . 0.0 108.704 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.01 -45.96 66.13 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.535 0.683 . . . . 0.0 110.177 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -88.93 -2.05 58.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.566 -0.709 . . . . 0.0 110.753 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 23' ' ' ASP . 3.8 ttmp? -139.34 148.64 43.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.065 -1.022 . . . . 0.0 108.91 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -119.86 125.67 49.08 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' B' ' 30' ' ' SER . 64.8 tttm -93.51 149.12 21.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 0.0 109.3 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -45.83 -22.11 0.17 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 85.4 p -75.63 -48.92 20.11 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.09 -41.92 93.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.761 -0.587 . . . . 0.0 110.201 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.992 -1.068 . . . . 0.0 109.946 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.522 ' OE1' ' NE ' ' B' ' 20' ' ' ARG . 98.7 mt-10 -67.32 -38.54 85.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.311 -0.868 . . . . 0.0 110.063 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.663 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.7 tt -64.43 -48.49 75.13 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.782 -1.199 . . . . 0.0 109.0 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.39 -44.59 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.494 -0.754 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -68.72 -39.3 80.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 112.352 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -98.27 -35.14 10.44 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.212 -0.93 . . . . 0.0 113.464 -176.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.9 tp10 -92.3 -20.75 20.8 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.495 -1.378 . . . . 0.0 110.664 -177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 35.5 mt -118.21 28.68 8.22 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.603 -0.686 . . . . 0.0 109.357 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' LEU . 5.6 t -69.52 -60.53 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -0.973 . . . . 0.0 110.985 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -75.75 -41.29 53.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.035 -1.041 . . . . 0.0 110.628 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 7.9 t80 -69.96 -26.44 64.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 111.05 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' SER . 4.8 tp -139.47 162.41 35.13 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.854 -1.154 . . . . 0.0 108.33 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.412 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 tp10 -60.87 115.32 3.6 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.951 -1.093 . . . . 0.0 109.5 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.66 144.67 42.51 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.406 HG21 HG23 ' B' ' 53' ' ' VAL . 5.5 mm -81.85 140.02 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -105.57 -17.8 14.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.237 -0.914 . . . . 0.0 110.707 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -138.95 152.45 47.71 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.107 -0.996 . . . . 0.0 111.27 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.47 -20.61 63.74 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.13 -40.08 95.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.202 -0.936 . . . . 0.0 110.543 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.72 -39.96 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.93 -1.107 . . . . 0.0 108.64 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.406 HG23 HG21 ' B' ' 47' ' ' ILE . 52.1 t -67.82 -34.91 70.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.034 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -66.04 -38.34 88.14 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.674 0.75 . . . . 0.0 109.612 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.93 -39.98 87.49 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.53 -34.77 66.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.1 mmm -70.07 -29.17 66.1 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.353 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.02 -36.61 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -78.82 -47.36 16.79 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 32.6 mt -88.91 -12.0 42.94 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.982 -1.074 . . . . 0.0 111.057 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -79.32 59.41 2.84 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -57.9 -38.93 76.71 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.09 -10.01 59.07 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.11 30.14 76.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 44.2 p-10 -106.57 2.79 26.37 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.137 -1.214 . . . . 0.0 110.373 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.514 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.95 3.73 89.43 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 29.9 mt-10 -135.8 131.49 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.35 130.1 46.41 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -74.3 170.0 16.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.03 -1.044 . . . . 0.0 109.7 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.46 ' CE2' HG23 ' A' ' 82' ' ' THR . 3.2 t80 -49.74 -40.04 39.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.282 -0.886 . . . . 0.0 108.757 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -62.31 -48.41 79.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.306 -0.871 . . . . 0.0 110.534 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 31.9 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.956 -1.09 . . . . 0.0 110.205 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.89 -33.82 76.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.018 . . . . 0.0 109.354 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.427 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -60.0 -38.4 82.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.15 70.13 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.819 -1.175 . . . . 0.0 111.611 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.446 ' O ' HG23 ' B' ' 80' ' ' VAL . 92.3 t80 -68.7 -29.56 68.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.845 -1.159 . . . . 0.0 111.104 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -74.64 -32.42 29.22 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -67.79 -40.61 83.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.775 -1.203 . . . . 0.0 109.833 -179.281 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.424 ' H ' ' HG2' ' B' ' 79' ' ' MET . 20.2 ptm -71.9 -43.15 65.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.04 -1.038 . . . . 0.0 110.955 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 76' ' ' PHE . 62.9 t -60.03 -37.94 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.533 -1.354 . . . . 0.0 109.391 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.538 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 91.1 m -57.38 -37.9 73.4 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.457 HG23 ' CE2' ' A' ' 70' ' ' PHE . 3.6 m -54.09 -40.38 67.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.3 85.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.127 -0.983 . . . . 0.0 108.656 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.52 -34.68 69.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.122 -0.986 . . . . 0.0 108.905 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.99 -41.29 91.72 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.86 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.9 -37.57 70.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.496 -0.753 . . . . 0.0 109.284 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.624 0.726 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 56' ' ' VAL . 42.4 t60 -60.09 -37.12 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.053 -1.029 . . . . 0.0 108.765 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.06 -28.19 67.57 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.426 -0.796 . . . . 0.0 108.863 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -39.97 87.33 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.502 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 6.5 tp -72.87 -27.4 61.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.5 0.667 . . . . 0.0 110.081 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.491 ' O ' ' N ' ' X' ' 112' ' ' THR . 21.9 mmt -56.33 -24.51 44.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.367 -1.458 . . . . 0.0 109.811 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' X' ' 109' ' ' MET . 3.4 p90 -42.85 -39.5 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.997 -1.065 . . . . 0.0 109.93 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.502 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 16.3 mtmt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.571 -1.33 . . . . 0.0 108.586 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.491 ' N ' ' O ' ' X' ' 109' ' ' MET . 69.8 p -61.64 -28.44 69.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.609 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.445 -0.785 . . . . 0.0 . 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 121.557 0.694 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -59.99 -37.2 78.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.125 -0.984 . . . . 0.0 108.717 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.96 -28.28 67.52 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.393 -0.817 . . . . 0.0 108.937 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.04 -39.93 87.65 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.515 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 6.7 tp -72.64 -27.68 62.28 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.484 ' O ' ' N ' ' Y' ' 112' ' ' THR . 23.0 mmt -56.29 -24.43 43.21 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.403 -1.436 . . . . 0.0 109.787 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' Y' ' 109' ' ' MET . 3.4 p90 -42.85 -39.55 2.56 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.99 -1.069 . . . . 0.0 109.922 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.515 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 16.4 mtmt -70.02 -40.5 75.16 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.643 -1.285 . . . . 0.0 108.576 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' Y' ' 109' ' ' MET . 81.8 p -60.12 -29.91 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.69 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 . 179.613 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 63.48 16.74 9.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.302 -0.874 . . . . 0.0 109.617 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.81 7.47 0.36 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.629 0.728 . . . . 0.0 109.248 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -60.08 -33.12 71.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.404 -0.81 . . . . 0.0 111.079 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -59.99 -39.89 87.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.705 -1.247 . . . . 0.0 111.043 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -31.61 58.03 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.734 -1.229 . . . . 0.0 109.807 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.64 73.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 111.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 mtt -65.69 -39.98 91.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.887 -1.133 . . . . 0.0 109.374 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.452 HG13 ' CE2' ' B' ' 88' ' ' PHE . 70.2 t -66.74 -35.19 74.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.83 79.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.558 -1.339 . . . . 0.0 108.08 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.73 -39.36 80.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.757 -0.589 . . . . 0.0 111.053 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.04 -41.11 95.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 111.907 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -73.96 -39.92 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.015 -1.053 . . . . 0.0 110.166 -178.809 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 81.0 t80 -60.01 -39.38 85.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 109.288 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -68.11 -26.47 65.82 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -59.97 -44.22 94.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.649 -1.282 . . . . 0.0 109.924 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' HH21 ' A' ' 20' ' ' ARG . 77.0 m-85 -91.0 -39.93 11.95 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.021 -1.049 . . . . 0.0 112.09 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 52.6 m -60.95 -39.97 91.54 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.964 -1.085 . . . . 0.0 111.803 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.89 89.6 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 HH22 ' CA ' ' A' ' 31' ' ' GLU . 4.7 ttm180 -59.97 -49.99 75.5 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.745 -0.856 . . . . 0.0 110.572 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.91 1.29 42.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.336 -0.852 . . . . 0.0 110.454 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.0 61.95 Favored Glycine 0 N--CA 1.496 2.671 0 O-C-N 121.19 -0.944 . . . . 0.0 110.747 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 15.3 m-20 -82.25 73.76 9.27 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.429 -1.63 . . . . 0.0 107.915 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -68.58 -41.75 79.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.486 -0.759 . . . . 0.0 110.391 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -91.06 -1.38 57.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.333 -0.854 . . . . 0.0 110.438 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 ttmt -143.49 147.51 34.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 109.305 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.81 130.42 52.35 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.807 . . . . 0.0 108.881 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 30' ' ' SER . 50.8 mtmt -96.08 153.54 17.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.812 -1.18 . . . . 0.0 110.256 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -49.79 -23.09 1.66 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 48.7 m -73.19 -55.34 6.59 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CA ' HH22 ' A' ' 20' ' ' ARG . 38.9 mt-10 -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.0 -41.1 91.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.883 -0.511 . . . . 0.0 109.943 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.12 -39.93 87.96 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.067 -1.021 . . . . 0.0 110.731 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.43 76.81 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 109.155 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLU . 6.0 tt -62.88 -51.16 68.05 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.076 -1.015 . . . . 0.0 109.405 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -70.37 -45.68 74.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 111.168 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.83 -39.97 91.05 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.967 -1.083 . . . . 0.0 110.458 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -100.95 -32.99 10.38 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' LEU . 66.9 tt0 -92.26 -14.63 28.61 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.183 -1.573 . . . . 0.0 109.99 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 HD23 ' B' ' 3' ' ' LEU . 54.5 mt -131.0 49.54 2.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.42 -0.8 . . . . 0.0 109.315 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 95.3 p -77.28 -68.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.19 -0.944 . . . . 0.0 109.866 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.424 ' N ' ' OG ' ' A' ' 41' ' ' SER . 17.9 p-80 -86.77 -11.12 51.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 109.185 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -63.53 -46.54 85.53 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 44' ' ' LEU . 1.4 pp -158.15 -168.02 2.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.747 -1.221 . . . . 0.0 110.5 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' ND1' ' X' ' 105' ' ' HIS . 86.7 tt0 -52.8 98.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.922 0.867 . . . . 0.0 110.391 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.85 153.69 32.41 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.536 HG21 HG23 ' A' ' 53' ' ' VAL . 34.9 mm -77.6 142.26 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 109.894 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -10.68 12.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.656 -0.652 . . . . 0.0 110.002 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.0 tp10 -159.96 157.1 28.26 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.915 -1.116 . . . . 0.0 109.925 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.561 -0.712 . . . . 0.0 110.782 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.6 pt-20 -60.0 -36.74 77.86 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 110.797 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' NE2' ' X' ' 105' ' ' HIS . 60.0 t -62.51 -40.01 86.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 120.942 -1.099 . . . . 0.0 108.8 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.536 HG23 HG21 ' A' ' 47' ' ' ILE . 56.7 t -63.95 -39.45 85.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.827 -0.545 . . . . 0.0 109.558 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.58 -38.05 89.63 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.498 -0.751 . . . . 0.0 109.972 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -66.39 -39.99 89.39 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 t -66.09 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.9 mmm -71.13 -26.87 63.2 Favored 'General case' 0 C--O 1.2 -1.529 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.647 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.95 -39.94 87.28 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 119.912 -1.742 . . . . 0.0 106.457 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -79.72 -43.27 22.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.34 0.59 . . . . 0.0 111.024 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.2 tp -87.45 -16.07 35.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 110.992 -177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.33 61.92 4.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.77 -37.72 74.16 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 80.8 m-20 -73.89 -14.28 61.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 29.97 76.1 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 25.4 p-10 -106.23 3.21 27.54 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -1.164 . . . . 0.0 110.217 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.483 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.71 1.45 89.25 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 87.6 mt-10 -138.43 141.23 39.53 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 12.9 p -108.61 128.82 55.17 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.062 -1.024 . . . . 0.0 109.506 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.45 160.27 32.7 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.354 0.597 . . . . 0.0 110.254 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.1 -39.96 30.23 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -67.36 -39.3 85.69 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.143 -0.973 . . . . 0.0 109.439 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' A' ' 63' ' ' ASP . 46.7 mt-10 -66.71 -42.9 85.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 109.962 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.435 -0.791 . . . . 0.0 110.056 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.2 mmm -59.98 -36.04 76.3 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.381 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.7 72.45 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.006 -1.059 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 40.2 t80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.965 -1.084 . . . . 0.0 108.846 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.486 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -62.07 -38.16 80.15 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-O 121.412 0.625 . . . . 0.0 109.404 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -61.61 -39.94 93.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.187 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.96 -42.06 58.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 76' ' ' PHE . 60.1 t -61.41 -39.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.188 -0.945 . . . . 0.0 109.608 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -39.8 87.11 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.6 m -52.42 -40.01 61.64 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' PHE . 35.3 m -59.85 -29.61 68.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.364 -0.835 . . . . 0.0 109.41 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -60.01 -40.42 89.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 41.8 mp0 -64.55 -37.03 86.14 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.141 -0.974 . . . . 0.0 110.043 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -93.25 -22.09 19.22 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.134 -0.979 . . . . 0.0 110.581 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 84' ' ' CYS . 39.7 t80 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 0.0 110.624 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.515 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 63.53 16.44 9.62 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -66.76 7.37 0.37 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.518 -0.739 . . . . 0.0 109.229 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.1 tp -59.99 -33.04 71.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 111.207 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.727 -1.233 . . . . 0.0 110.936 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -31.28 58.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.78 -1.2 . . . . 0.0 109.892 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 0.0 111.551 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.445 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 29.8 mtt -66.09 -40.02 90.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.83 -1.169 . . . . 0.0 109.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.441 HG13 ' CE2' ' A' ' 88' ' ' PHE . 62.0 t -66.39 -35.62 75.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.04 81.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.596 -0.69 . . . . 0.0 111.553 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.94 -40.05 87.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.535 -1.353 . . . . 0.0 108.125 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.91 -38.96 79.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.785 -0.572 . . . . 0.0 111.065 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.48 -40.64 93.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.71 -1.244 . . . . 0.0 111.912 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -39.94 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.018 -1.051 . . . . 0.0 110.126 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.503 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 80.8 t80 -59.96 -39.39 85.48 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -0.872 . . . . 0.0 109.259 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.21 -26.34 65.67 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.161 -0.962 . . . . 0.0 110.793 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -60.02 -44.2 94.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.594 -1.316 . . . . 0.0 109.953 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.01 -40.1 11.84 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.923 -1.111 . . . . 0.0 112.014 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 53.2 m -60.74 -40.06 91.02 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.96 -1.088 . . . . 0.0 111.814 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.44 -5.74 89.66 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.415 HH22 ' CA ' ' B' ' 31' ' ' GLU . 5.1 ttm180 -59.92 -50.03 75.37 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.763 -0.845 . . . . 0.0 110.601 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -99.95 1.18 42.45 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.392 -0.818 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -14.01 61.73 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 26' ' ' LYS . 15.2 m-20 -82.27 73.8 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.414 -1.639 . . . . 0.0 107.843 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -68.57 -41.57 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.449 -0.782 . . . . 0.0 110.391 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -91.29 -1.37 57.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.424 -0.797 . . . . 0.0 110.45 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.1 ttmt -143.48 147.47 34.58 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.094 -1.004 . . . . 0.0 109.206 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.9 tp -124.72 130.56 52.64 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.373 -0.83 . . . . 0.0 108.849 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 30' ' ' SER . 51.0 mtmt -96.18 153.46 17.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.766 -1.209 . . . . 0.0 110.367 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -49.74 -23.23 1.69 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 23.3 m -73.44 -54.94 7.07 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.415 ' CA ' HH22 ' B' ' 20' ' ' ARG . 39.0 mt-10 -60.83 -34.31 74.37 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.02 -41.17 91.61 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.94 -0.475 . . . . 0.0 109.849 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 86.8 tttt -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.12 -0.987 . . . . 0.0 110.708 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' B' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.44 76.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.525 -1.359 . . . . 0.0 109.08 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 39' ' ' GLU . 6.1 tt -62.96 -50.67 69.88 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.075 -1.015 . . . . 0.0 109.52 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.89 -45.63 72.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.365 -0.835 . . . . 0.0 110.974 -177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' B' ' 33' ' ' LYS . 5.7 m120 -60.84 -40.08 91.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.925 -1.109 . . . . 0.0 110.464 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -100.86 -33.02 10.39 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 35' ' ' LEU . 62.6 tt0 -92.16 -14.97 28.27 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.079 -1.638 . . . . 0.0 110.08 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.425 HD21 HD23 ' A' ' 3' ' ' LEU . 61.6 mt -130.69 49.37 2.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.491 -0.756 . . . . 0.0 109.278 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 87.6 p -77.1 -68.42 0.61 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.193 -0.942 . . . . 0.0 109.847 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.421 ' N ' ' OG ' ' B' ' 41' ' ' SER . 17.6 p-80 -86.87 -10.8 52.55 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.233 -0.917 . . . . 0.0 109.207 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -63.91 -46.2 85.9 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.438 ' C ' HD12 ' B' ' 44' ' ' LEU . 1.4 pp -158.31 -168.05 2.36 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.782 -1.199 . . . . 0.0 110.502 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.53 ' OE2' ' ND1' ' Y' ' 105' ' ' HIS . 86.5 tt0 -52.76 98.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.911 0.862 . . . . 0.0 110.383 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -62.81 153.91 31.5 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.537 HG21 HG23 ' B' ' 53' ' ' VAL . 32.4 mm -77.88 142.3 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.866 -1.146 . . . . 0.0 109.83 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -10.52 12.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.724 -0.61 . . . . 0.0 109.995 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.0 tp10 -159.94 156.95 28.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 109.927 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.99 -34.46 73.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.508 -0.745 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -59.99 -36.54 77.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.139 -0.976 . . . . 0.0 110.943 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.624 HG22 ' NE2' ' Y' ' 105' ' ' HIS . 61.8 t -62.74 -39.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 120.925 -1.109 . . . . 0.0 108.784 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.537 HG23 HG21 ' B' ' 47' ' ' ILE . 53.4 t -63.77 -39.6 86.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.479 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.38 -38.0 89.45 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.521 -0.737 . . . . 0.0 109.99 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -66.46 -39.94 89.11 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.17 -32.02 56.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.6 mmm -71.2 -26.82 63.11 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.664 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -59.95 -39.95 87.35 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 119.952 -1.717 . . . . 0.0 106.464 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.0 m -79.69 -43.13 23.28 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.336 0.589 . . . . 0.0 111.068 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -87.68 -15.91 35.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 111.008 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -80.39 62.01 4.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.76 -37.97 74.58 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 79.9 m-20 -74.01 -13.7 60.91 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.0 76.36 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 25.2 p-10 -106.27 3.46 27.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.257 -1.143 . . . . 0.0 110.218 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.531 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.37 1.36 88.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 88.4 mt-10 -138.09 141.05 40.25 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.9 p -108.46 128.84 55.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.015 -1.053 . . . . 0.0 109.496 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.54 160.23 32.86 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.349 0.595 . . . . 0.0 110.326 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.06 -40.01 29.78 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.41 -38.99 85.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.103 -0.998 . . . . 0.0 109.485 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD2' ' B' ' 63' ' ' ASP . 46.4 mt-10 -67.07 -42.9 83.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.873 -1.142 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.58 -34.48 78.35 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.432 -0.793 . . . . 0.0 110.06 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.93 -35.93 75.98 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.413 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.85 72.62 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.027 -1.045 . . . . 0.0 110.836 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 40.1 t80 -59.94 -39.96 87.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.962 -1.086 . . . . 0.0 108.831 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.444 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -62.01 -38.34 80.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.481 0.658 . . . . 0.0 109.427 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.8 t -61.63 -40.03 93.42 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.1 mtp -74.94 -41.87 58.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.196 -0.94 . . . . 0.0 110.922 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 76' ' ' PHE . 61.5 t -61.49 -40.0 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.476 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.82 87.09 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.474 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.4 m -52.44 -39.93 61.61 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.6 m -59.82 -29.75 68.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.516 -0.74 . . . . 0.0 109.483 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -40.42 89.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.781 -1.199 . . . . 0.0 109.355 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.474 ' OE1' ' O ' ' B' ' 82' ' ' THR . 42.0 mp0 -64.48 -37.22 86.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.23 -0.919 . . . . 0.0 110.013 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.17 -22.02 19.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.099 -1.001 . . . . 0.0 110.628 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' B' ' 84' ' ' CYS . 40.1 t80 . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.106 -0.997 . . . . 0.0 110.576 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.593 ' NE2' HG22 ' A' ' 52' ' ' VAL . 9.0 m-70 -54.5 -32.7 58.49 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.06 -31.02 69.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -40.02 83.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.876 -1.14 . . . . 0.0 108.257 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.0 OUTLIER -76.68 -24.61 53.2 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.267 -0.895 . . . . 0.0 109.216 178.404 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.83 -24.62 64.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.064 -1.647 . . . . 0.0 109.869 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.4 p90 -45.02 -45.68 10.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.959 -1.088 . . . . 0.0 109.982 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 6.7 pttt -69.95 -34.84 73.96 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.294 -0.879 . . . . 0.0 109.146 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' X' ' 111' ' ' LYS . 94.4 m -61.42 -40.01 92.86 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.313 -0.867 . . . . 0.0 108.722 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 0.0 . 179.423 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' NE2' HG22 ' B' ' 52' ' ' VAL . 8.4 m-70 -54.52 -32.61 58.46 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.004 -1.06 . . . . 0.0 108.173 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.94 -31.29 69.72 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.95 83.08 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.246 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.0 OUTLIER -76.77 -24.55 52.9 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.281 -0.887 . . . . 0.0 109.215 178.475 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.1 mmt -59.85 -24.57 64.32 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.079 -1.638 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.4 p90 -45.13 -45.58 11.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.0 109.964 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.568 ' NZ ' ' CZ ' ' B' ' 76' ' ' PHE . 6.5 pttt -69.81 -35.88 75.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.336 -0.853 . . . . 0.0 109.055 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' Y' ' 111' ' ' LYS . 92.9 m -60.12 -40.0 88.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.98 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 . 179.547 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 55.91 15.77 1.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 109.017 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 5' ' ' LYS . 99.5 mt-10 -73.99 -2.6 24.84 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.461 HD23 HD21 ' B' ' 40' ' ' LEU . 56.5 tp -47.27 -22.27 0.38 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.698 -0.626 . . . . 0.0 109.954 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -70.27 -36.73 74.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.874 -1.141 . . . . 0.0 108.334 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' GLU . 32.6 ttpt -69.82 -39.93 76.19 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.676 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.0 80.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.314 -0.866 . . . . 0.0 111.364 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.469 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 46.0 mtt -65.33 -40.01 93.13 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.859 -1.151 . . . . 0.0 109.888 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.54 -38.83 82.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.192 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.16 86.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.875 -0.516 . . . . 0.0 111.438 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -59.93 -39.95 87.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.848 -1.157 . . . . 0.0 108.146 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.03 -39.14 76.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.795 -0.566 . . . . 0.0 110.5 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.53 -44.55 95.95 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.695 -1.253 . . . . 0.0 111.003 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -35.04 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.141 -0.974 . . . . 0.0 109.407 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -58.29 -39.86 80.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.633 -1.292 . . . . 0.0 108.567 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.97 -21.61 63.23 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.317 -0.864 . . . . 0.0 109.178 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.99 -44.64 94.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.257 -0.902 . . . . 0.0 110.427 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -96.09 -36.85 10.85 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.706 -1.246 . . . . 0.0 111.916 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -60.0 -43.33 95.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.737 -1.227 . . . . 0.0 110.538 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -15.19 80.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -61.13 -43.33 99.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.012 -1.287 . . . . 0.0 108.785 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -113.49 157.0 22.55 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 121.597 0.713 . . . . 0.0 109.314 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.4 -29.45 23.37 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.543 -0.723 . . . . 0.0 111.687 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 26' ' ' LYS . 88.7 m-20 -71.2 56.71 0.22 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.506 -1.585 . . . . 0.0 109.714 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' GLY . 31.2 ttpt -61.98 -39.23 91.49 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.082 -1.011 . . . . 0.0 110.553 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -78.7 -10.1 59.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.03 -1.044 . . . . 0.0 111.793 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 23' ' ' ASP . 58.1 pttt -146.47 156.61 43.4 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.573 -1.329 . . . . 0.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.13 119.0 38.22 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 30' ' ' SER . 83.7 tttt -90.14 150.63 21.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.751 -1.218 . . . . 0.0 108.371 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.2 pttp -43.66 -23.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.246 -0.909 . . . . 0.0 108.929 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.7 t -75.56 -48.2 23.4 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' LYS . 44.3 mt-10 -66.09 -37.79 86.64 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.93 -40.3 88.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.864 -0.523 . . . . 0.0 109.951 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 110.095 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.62 -36.78 76.46 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.62 -49.96 73.14 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.723 -1.236 . . . . 0.0 108.702 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 36' ' ' ILE . 54.9 mt -71.51 -49.69 45.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 111.085 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 38' ' ' ASN . 21.2 t30 -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.231 -0.918 . . . . 0.0 111.743 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.447 ' OD1' ' ND2' ' A' ' 37' ' ' ASN . 10.7 m-20 -98.84 -34.94 10.28 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.244 -0.91 . . . . 0.0 113.281 -176.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -91.85 -21.66 20.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.352 -1.467 . . . . 0.0 109.563 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD21 HD23 ' B' ' 3' ' ' LEU . 57.6 mt -120.71 36.51 4.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.663 -0.648 . . . . 0.0 109.755 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -67.09 -71.58 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.332 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -80.66 -16.57 53.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.4 OUTLIER -60.04 -45.81 91.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.509 -0.744 . . . . 0.0 109.315 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -161.18 -157.3 0.5 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.587 -1.321 . . . . 0.0 110.565 -179.502 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE2' HD13 ' A' ' 47' ' ' ILE . 7.2 tm-20 -50.6 92.82 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.704 0.764 . . . . 0.0 111.222 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' LEU . 86.0 tt0 -63.32 148.33 48.63 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 HG23 ' A' ' 53' ' ' VAL . 30.5 mm -86.8 137.07 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.745 -1.222 . . . . 0.0 109.806 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.03 -24.47 10.76 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.374 -0.828 . . . . 0.0 108.798 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.9 144.48 51.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.612 -0.68 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -68.36 -18.95 64.6 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -60.53 -39.93 89.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.044 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.428 ' CG1' ' CD2' ' X' ' 105' ' ' HIS . 76.1 t -60.81 -39.98 83.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG23 HG21 ' A' ' 47' ' ' ILE . 51.4 t -62.22 -40.04 86.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 46.8 t0 -60.55 -40.02 90.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.564 0.697 . . . . 0.0 109.237 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.12 -40.4 95.76 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.83 -31.36 53.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.99 -31.68 69.5 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.768 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.07 -39.84 83.36 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -79.4 -46.3 17.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.898 -0.501 . . . . 0.0 111.091 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.1 mm? -88.91 -12.18 42.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.666 -1.271 . . . . 0.0 111.403 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.3 t0 -80.74 62.53 4.81 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.4 -39.74 80.53 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.126 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.77 -12.15 60.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.379 -0.825 . . . . 0.0 108.86 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.19 32.21 79.73 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 4.0 p30 -105.44 6.41 32.46 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.244 -1.15 . . . . 0.0 109.625 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.03 -1.41 88.81 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 65' ' ' ASP . 1.2 pp20? -140.58 138.33 34.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -97.64 129.68 44.71 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -76.45 168.97 19.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.783 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 8.1 t80 -51.31 -40.03 58.14 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -59.93 -50.07 75.19 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.255 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.83 -39.95 95.93 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.82 -32.02 73.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.037 -1.039 . . . . 0.0 109.384 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -59.98 -37.72 80.48 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -178.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.19 72.0 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.794 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -37.64 80.27 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.135 -0.978 . . . . 0.0 109.635 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.431 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.63 -34.89 70.79 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-O 121.422 0.63 . . . . 0.0 109.39 -179.381 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -63.13 -41.33 99.29 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.429 -0.794 . . . . 0.0 110.446 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.5 mtm -77.82 -40.42 40.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.911 -1.118 . . . . 0.0 111.298 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.73 -39.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.952 -1.092 . . . . 0.0 109.505 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.95 -38.44 82.46 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 5.5 m -56.17 -39.85 72.99 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.23 85.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 108.764 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 88' ' ' PHE . 38.1 t -60.01 -35.91 76.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.788 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.98 -39.31 85.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.077 . . . . 0.0 109.41 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -39.28 85.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.55 -24.9 17.79 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.104 -0.997 . . . . 0.0 109.684 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 84' ' ' CYS . 2.5 t80 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 15.69 2.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.006 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 5' ' ' LYS . 99.6 mt-10 -74.26 -2.68 25.99 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.479 HD23 HD21 ' A' ' 40' ' ' LEU . 55.8 tp -47.07 -22.71 0.38 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.753 -0.592 . . . . 0.0 109.96 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -70.02 -36.55 75.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.836 -1.165 . . . . 0.0 108.324 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 2' ' ' GLU . 33.5 ttpt -69.91 -40.04 75.84 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.184 0.516 . . . . 0.0 109.759 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.03 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 111.316 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.471 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 45.2 mtt -65.33 -40.02 93.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.808 -1.182 . . . . 0.0 109.785 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.45 -38.79 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-O 121.616 0.722 . . . . 0.0 109.325 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.25 86.74 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.871 -0.518 . . . . 0.0 111.388 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 108.108 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.82 -39.3 77.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.782 -0.574 . . . . 0.0 110.518 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.47 -44.71 95.61 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.727 -1.233 . . . . 0.0 110.996 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -35.17 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.15 -0.969 . . . . 0.0 109.415 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.17 -39.73 79.61 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.634 -1.291 . . . . 0.0 108.557 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -70.02 -21.65 63.18 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.35 -0.844 . . . . 0.0 109.141 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.93 -44.88 94.07 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.278 -0.889 . . . . 0.0 110.349 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -96.01 -36.79 10.91 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 120.827 -1.171 . . . . 0.0 111.93 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.2 p -60.04 -43.42 95.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 110.543 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 -14.64 81.29 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.48 -43.11 99.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.958 -1.319 . . . . 0.0 108.848 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.35 157.23 22.11 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 121.58 0.705 . . . . 0.0 109.306 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.45 -29.82 24.72 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.571 -0.706 . . . . 0.0 111.629 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 26' ' ' LYS . 89.4 m-20 -70.99 56.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.485 -1.597 . . . . 0.0 109.799 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' B' ' 22' ' ' GLY . 31.9 ttpt -62.07 -39.15 91.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.188 -0.945 . . . . 0.0 110.511 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -78.59 -10.19 59.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.017 -1.052 . . . . 0.0 111.743 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.8 pttt -146.56 156.58 43.34 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.604 -1.31 . . . . 0.0 110.245 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.06 119.03 38.33 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 30' ' ' SER . 84.1 tttt -90.37 150.47 21.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.807 -1.183 . . . . 0.0 108.386 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -43.55 -23.54 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.265 -0.897 . . . . 0.0 108.913 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 28' ' ' LYS . 41.5 t -75.33 -48.33 23.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.3 mt-10 -66.06 -37.84 86.84 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.96 -40.23 88.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.911 -0.493 . . . . 0.0 109.972 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 110.157 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.69 -36.53 76.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.741 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.7 -50.0 72.84 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.777 -1.202 . . . . 0.0 108.801 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.55 -49.62 45.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 111.086 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -60.98 -39.99 91.71 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.197 -0.939 . . . . 0.0 111.721 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -98.86 -35.05 10.23 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.219 -0.925 . . . . 0.0 113.226 -176.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.76 -21.54 20.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.362 -1.461 . . . . 0.0 109.623 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 3' ' ' LEU . 56.4 mt -120.77 36.59 4.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.711 -0.618 . . . . 0.0 109.626 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -67.11 -71.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 0.0 110.308 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -80.57 -16.6 53.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.396 -0.815 . . . . 0.0 109.998 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.469 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -60.03 -45.59 92.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.552 -0.717 . . . . 0.0 109.332 -179.105 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 46' ' ' GLU . 0.5 OUTLIER -161.35 -157.22 0.49 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.556 -1.34 . . . . 0.0 110.566 -179.561 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.458 ' OE2' HD13 ' B' ' 47' ' ' ILE . 7.2 tm-20 -50.85 93.05 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.196 -178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 44' ' ' LEU . 86.1 tt0 -63.3 148.35 48.53 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.562 HG21 HG23 ' B' ' 53' ' ' VAL . 30.1 mm -86.87 136.95 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.74 -1.225 . . . . 0.0 109.754 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -110.05 -24.4 10.78 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.87 144.4 51.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.59 -0.694 . . . . 0.0 109.343 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -68.28 -19.07 64.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -60.41 -39.9 89.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.526 -0.734 . . . . 0.0 109.981 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.83 -40.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.562 HG23 HG21 ' B' ' 47' ' ' ILE . 48.8 t -62.17 -40.06 86.23 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 47.4 t0 -60.52 -40.02 89.94 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.546 0.688 . . . . 0.0 109.207 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.03 -40.53 96.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -66.76 -31.29 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.567 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.5 mmm -70.03 -31.57 69.27 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.722 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -59.05 -39.82 83.19 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 119.927 -1.733 . . . . 0.0 106.41 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.3 m -79.56 -46.34 17.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.887 -0.508 . . . . 0.0 111.056 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -88.89 -11.93 43.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.669 -1.269 . . . . 0.0 111.356 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.97 62.51 4.98 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.147 -1.798 . . . . 0.0 106.147 177.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.37 -39.59 80.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.119 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.86 -12.35 60.15 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 108.813 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.26 32.37 80.47 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 4.0 p30 -105.64 6.31 31.92 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.237 -1.155 . . . . 0.0 109.585 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.24 -1.88 88.35 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' B' ' 67' ' ' GLU . 1.2 pp20? -140.14 138.61 35.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -1.044 . . . . 0.0 109.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -97.72 129.86 44.73 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.57 168.89 19.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.137 -0.977 . . . . 0.0 110.772 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.453 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 8.0 t80 -51.31 -39.78 57.64 Favored 'General case' 0 C--O 1.204 -1.34 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -60.03 -50.02 75.37 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.624 -0.672 . . . . 0.0 109.291 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.94 -31.74 72.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.073 -1.017 . . . . 0.0 109.457 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -60.03 -37.73 80.64 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.472 -0.767 . . . . 0.0 109.21 -178.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -33.04 71.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.1 -37.68 80.68 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.088 -1.007 . . . . 0.0 109.573 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.433 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -67.67 -34.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-O 121.466 0.651 . . . . 0.0 109.491 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.03 -41.28 99.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.448 -0.782 . . . . 0.0 110.378 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtm -77.91 -40.54 39.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.885 -1.134 . . . . 0.0 111.45 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.63 -39.82 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.903 -1.123 . . . . 0.0 109.391 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -60.07 -38.19 82.13 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -56.23 -39.76 73.02 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.29 85.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 108.844 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' B' ' 88' ' ' PHE . 38.4 t -59.92 -35.93 75.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.569 -0.707 . . . . 0.0 109.71 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.37 85.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.96 -1.088 . . . . 0.0 109.443 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -39.33 85.49 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -93.41 -24.99 17.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' B' ' 84' ' ' CYS . 2.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.428 ' CD2' ' CG1' ' A' ' 52' ' ' VAL . 7.0 t-80 -58.18 -34.44 70.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -59.94 -30.31 68.98 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.04 -39.94 87.67 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.928 . . . . 0.0 108.76 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.99 -36.19 74.98 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.346 -0.846 . . . . 0.0 109.01 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 16.9 mmt -50.0 -24.38 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.828 -1.17 . . . . 0.0 109.563 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.9 p90 -46.77 -44.14 18.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.946 -1.096 . . . . 0.0 109.29 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.3 pttt -67.43 -34.52 77.4 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' X' ' 111' ' ' LYS . 59.3 p -65.28 -33.37 75.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.218 -0.926 . . . . 0.0 108.929 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.718 . . . . 0.0 . 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.18 -34.46 70.35 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.168 -0.957 . . . . 0.0 108.744 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.69 -36.52 76.05 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.389 -0.819 . . . . 0.0 108.999 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 16.7 mmt -49.78 -24.43 2.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.838 -1.164 . . . . 0.0 109.682 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.528 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -46.63 -44.47 18.36 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.977 -1.077 . . . . 0.0 109.222 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.528 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.0 pttt -66.91 -35.81 80.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.335 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.1 p -63.65 -33.54 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.261 -0.9 . . . . 0.0 109.248 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.57 -0.706 . . . . 0.0 . 179.663 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 5.5 t 60.13 19.43 8.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.329 -0.857 . . . . 0.0 110.126 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.95 3.03 13.08 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -58.93 -24.79 62.85 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.879 -0.513 . . . . 0.0 109.877 -179.168 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.68 -40.07 94.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.627 -1.296 . . . . 0.0 109.221 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -68.79 -36.27 78.06 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.5 -0.75 . . . . 0.0 109.279 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.0 89.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.463 -0.773 . . . . 0.0 110.759 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.6 mtt -64.82 -40.17 94.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 109.407 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.7 -38.26 81.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.489 0.661 . . . . 0.0 109.245 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.68 94.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.761 -0.587 . . . . 0.0 111.376 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.651 -1.28 . . . . 0.0 108.3 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.53 -39.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.481 -0.762 . . . . 0.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -66.61 -40.39 88.8 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.809 -1.182 . . . . 0.0 111.753 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -39.73 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.93 -1.106 . . . . 0.0 109.558 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.97 -39.94 87.36 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 109.379 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -69.55 -22.21 63.57 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.276 -0.89 . . . . 0.0 109.773 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.717 -1.24 . . . . 0.0 109.832 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -93.19 -37.67 11.97 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 120.784 -1.197 . . . . 0.0 112.043 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -59.88 -39.96 87.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.141 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 -12.91 83.94 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.02 -1.282 . . . . 0.0 108.522 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -113.87 161.04 18.1 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.15 -14.48 0.85 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 120.444 -0.884 . . . . 0.0 110.949 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -74.55 62.91 1.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.754 -1.439 . . . . 0.0 109.488 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.98 -39.97 75.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.412 -0.805 . . . . 0.0 111.386 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -93.05 -0.02 57.22 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.973 -1.08 . . . . 0.0 110.701 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -146.95 170.27 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.894 -1.129 . . . . 0.0 109.24 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -134.62 129.46 34.95 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.7 tttp -96.22 146.98 24.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.714 -1.241 . . . . 0.0 109.894 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 52.8 pttt -42.04 -23.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.497 -0.752 . . . . 0.0 109.57 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 m -74.53 -50.16 19.16 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.26 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.46 -35.37 80.7 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.02 -42.95 95.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.797 -0.564 . . . . 0.0 109.636 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 87.1 tttt -60.21 -40.14 89.09 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.147 -0.971 . . . . 0.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 99.9 mt-10 -69.92 -30.71 68.18 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.964 -1.085 . . . . 0.0 109.088 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 35' ' ' LEU . 6.6 tt -69.89 -42.6 73.22 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.248 -0.907 . . . . 0.0 109.454 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -73.77 -49.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.365 -0.834 . . . . 0.0 112.373 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 33' ' ' LYS . 25.4 p30 -84.75 -24.45 28.81 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.321 -1.487 . . . . 0.0 112.888 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.404 ' OD1' ' OD1' ' A' ' 37' ' ' ASN . 2.8 m-20 -94.99 -35.71 11.86 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.56 -1.338 . . . . 0.0 110.991 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' B' ' 1' ' ' SER . 7.1 tp10 -88.86 -17.23 30.1 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.611 -1.306 . . . . 0.0 109.386 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.13 37.6 4.03 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -59.9 -50.25 74.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 110.862 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.35 -32.11 11.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.05 -1.031 . . . . 0.0 110.659 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.6 t80 -66.94 -34.7 78.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 110.73 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tp -134.81 159.99 39.61 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.5 111.33 1.36 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.109 -0.995 . . . . 0.0 108.591 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.54 155.43 33.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.458 -0.776 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.623 HD13 HH12 ' X' ' 104' ' ' ARG . 30.9 mm -79.8 140.05 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.99 -1.069 . . . . 0.0 108.714 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -20.68 13.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.506 -0.746 . . . . 0.0 110.048 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.4 tp10 -139.78 139.46 36.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.308 -0.87 . . . . 0.0 108.67 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.2 -22.58 66.91 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.164 -0.96 . . . . 0.0 111.066 -178.725 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' N ' ' OE1' ' A' ' 50' ' ' GLN . 18.4 pt-20 -59.98 -38.91 83.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.677 -1.264 . . . . 0.0 109.427 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.15 -40.04 82.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.609 HG23 HG21 ' A' ' 47' ' ' ILE . 64.6 t -60.44 -40.0 82.84 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.28 -39.39 90.21 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 t -68.29 -31.19 50.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.9 mmm -69.88 -30.12 67.49 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.223 -0.991 . . . . 0.0 109.377 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.28 -40.04 84.84 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -84.11 -40.02 18.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.753 -0.592 . . . . 0.0 111.434 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 76' ' ' PHE . 58.5 tp -86.83 -19.0 29.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.106 -0.996 . . . . 0.0 110.129 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.4 t0 -80.69 66.29 6.15 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.43 -39.48 76.31 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.195 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -75.95 -15.95 60.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.265 -0.897 . . . . 0.0 108.621 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.63 31.86 77.17 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 32.9 p-10 -105.85 7.26 32.2 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.209 -1.171 . . . . 0.0 109.827 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.9 2.19 88.23 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 57.8 mt-10 -139.48 137.55 35.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.636 -0.92 . . . . 0.0 109.276 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.5 p -99.66 130.43 45.88 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.15 -0.969 . . . . 0.0 109.031 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 9.1 t70 -74.78 171.3 14.2 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.4 t80 -56.79 -39.94 75.0 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.034 -1.041 . . . . 0.0 109.371 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.13 -39.8 86.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.829 -1.169 . . . . 0.0 109.824 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' HD11 ' A' ' 60' ' ' LEU . 41.4 mt-10 -64.03 -42.55 97.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.919 -1.113 . . . . 0.0 110.145 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.97 -36.31 83.08 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.402 -0.811 . . . . 0.0 109.703 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.1 mmm -60.03 -37.76 80.73 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.788 -0.57 . . . . 0.0 110.517 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.12 72.77 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.792 -1.193 . . . . 0.0 111.233 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' HB2' HD13 ' A' ' 60' ' ' LEU . 59.9 t80 -62.12 -38.78 90.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.002 -1.061 . . . . 0.0 109.773 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.2 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 121.556 0.693 . . . . 0.0 110.074 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -63.99 -40.19 95.81 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.076 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 mtm -74.37 -40.65 61.96 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.951 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.46 -39.76 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.063 -1.023 . . . . 0.0 108.976 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -59.98 -39.94 87.4 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -53.14 -37.38 61.78 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.8 90.92 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' PHE . 19.4 t -59.99 -37.99 81.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 110.168 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.87 -40.87 90.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.824 -1.173 . . . . 0.0 108.238 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -80.61 -23.79 39.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.613 -0.679 . . . . 0.0 110.455 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 122.318 1.056 . . . . 0.0 108.231 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.519 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 5.2 t 59.96 19.26 8.32 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.277 -0.889 . . . . 0.0 110.269 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.75 2.95 12.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.912 0.863 . . . . 0.0 109.043 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.671 ' C ' HD23 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -58.92 -24.53 62.51 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.937 -179.137 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.17 -40.0 93.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.638 -1.289 . . . . 0.0 109.05 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -68.72 -36.19 78.1 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.556 -0.715 . . . . 0.0 109.293 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.98 89.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.9 mtt -64.67 -39.94 94.54 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.389 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.25 -38.08 81.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.823 -0.548 . . . . 0.0 111.415 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.98 -40.03 87.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.514 -1.366 . . . . 0.0 108.286 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -67.77 -39.26 81.67 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 121.493 -0.755 . . . . 0.0 110.39 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.24 -40.58 90.33 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.716 -1.24 . . . . 0.0 111.92 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -39.69 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.976 -1.077 . . . . 0.0 109.578 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -39.89 87.26 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.312 -0.868 . . . . 0.0 109.301 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -69.6 -22.25 63.52 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.824 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.776 -1.203 . . . . 0.0 109.82 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -93.24 -37.5 12.03 Favored 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.818 -1.176 . . . . 0.0 112.146 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.2 t -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.844 -1.16 . . . . 0.0 110.017 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.68 -13.01 83.92 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 67.3 ttt180 -60.1 -45.14 93.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.239 . . . . 0.0 108.594 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.8 161.13 17.94 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.74 -15.01 0.79 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -74.43 63.1 1.04 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.644 -1.503 . . . . 0.0 109.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -70.12 -40.07 75.09 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.389 -0.819 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -92.86 -0.02 57.32 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.94 -1.1 . . . . 0.0 110.766 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.1 170.12 17.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.976 -1.077 . . . . 0.0 109.237 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.29 129.25 35.3 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' SER . 60.7 tttp -96.14 146.86 24.31 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.714 -1.241 . . . . 0.0 109.772 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 52.6 pttt -41.93 -23.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.671 0.748 . . . . 0.0 109.48 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 28' ' ' LYS . 50.6 m -74.55 -50.15 19.15 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.273 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.84 -34.89 79.19 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.97 -42.98 95.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.657 -0.652 . . . . 0.0 109.49 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 87.6 tttt -60.21 -40.02 88.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.271 -0.893 . . . . 0.0 110.711 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.475 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 99.7 mt-10 -70.02 -30.71 68.07 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.941 -1.1 . . . . 0.0 109.123 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.702 ' C ' HD23 ' B' ' 35' ' ' LEU . 6.6 tt -69.99 -42.43 73.09 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 121.214 -0.929 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.98 -49.05 35.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.344 -0.847 . . . . 0.0 112.31 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' B' ' 33' ' ' LYS . 25.4 p30 -84.78 -24.5 28.71 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.28 -1.513 . . . . 0.0 112.843 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -94.91 -35.86 11.85 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.537 -1.352 . . . . 0.0 111.018 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.8 tp10 -88.68 -17.6 29.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -128.72 37.75 4.05 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -60.08 -50.2 74.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.794 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.37 -32.09 11.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.618 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.7 t80 -66.96 -34.64 78.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.113 -0.992 . . . . 0.0 110.768 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.82 159.97 39.69 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.069 -1.019 . . . . 0.0 109.066 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.243 -0.91 . . . . 0.0 108.586 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.37 155.37 32.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.515 -0.74 . . . . 0.0 109.392 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.615 HG21 HG23 ' B' ' 53' ' ' VAL . 30.9 mm -79.78 140.02 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 O-C-N 120.955 -1.091 . . . . 0.0 108.761 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -20.33 13.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.027 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.1 tp10 -139.94 139.35 36.13 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.181 -0.949 . . . . 0.0 108.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -65.32 -22.28 66.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.108 -0.995 . . . . 0.0 111.126 -178.636 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 18.7 pt-20 -60.17 -38.93 84.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.647 -1.283 . . . . 0.0 109.24 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.07 -39.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.615 HG23 HG21 ' B' ' 47' ' ' ILE . 75.5 t -60.5 -39.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.12 -39.57 90.51 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -60.68 -41.01 94.23 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 t -68.21 -31.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.517 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.9 mmm -70.01 -30.28 67.55 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.323 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.09 -39.97 83.83 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.078 -1.639 . . . . 0.0 106.655 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -84.21 -39.97 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.793 -0.567 . . . . 0.0 111.419 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' B' ' 76' ' ' PHE . 57.0 tp -86.88 -18.98 29.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.116 -0.99 . . . . 0.0 110.139 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.5 t0 -80.83 66.44 6.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -57.7 -39.29 76.85 Favored 'General case' 0 C--N 1.288 -2.076 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.098 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -75.43 -16.83 60.3 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.12 31.65 75.26 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 33.1 p-10 -105.83 7.46 32.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.157 -1.202 . . . . 0.0 109.763 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.63 2.49 88.12 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 56.3 mt-10 -139.5 137.77 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.596 -0.943 . . . . 0.0 109.211 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 9.1 p -99.85 130.39 46.04 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.239 -0.913 . . . . 0.0 109.002 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 9.1 t70 -74.72 171.11 14.51 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.4 t80 -56.57 -40.03 74.49 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.094 -1.004 . . . . 0.0 109.22 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.3 -39.63 85.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.439 ' O ' HD11 ' B' ' 60' ' ' LEU . 40.8 mt-10 -64.07 -42.9 96.81 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.992 -1.068 . . . . 0.0 110.19 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.69 -36.44 82.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.472 -0.768 . . . . 0.0 109.758 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.95 -37.5 79.72 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.338 0.589 . . . . 0.0 110.486 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.781 -1.199 . . . . 0.0 111.075 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.47 ' HB2' HD13 ' B' ' 60' ' ' LEU . 60.0 t80 -62.11 -38.59 89.47 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.991 -1.068 . . . . 0.0 109.635 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.458 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.29 -39.85 82.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-O 121.547 0.689 . . . . 0.0 110.14 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -64.35 -40.03 95.06 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.947 -0.701 . . . . 0.0 111.133 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.0 mtm -74.52 -40.49 61.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.802 -1.159 . . . . 0.0 110.83 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.32 -39.91 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.131 -0.98 . . . . 0.0 109.098 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -39.95 87.49 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -53.08 -37.54 61.75 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.49 92.48 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' B' ' 88' ' ' PHE . 31.9 t -59.89 -37.45 79.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 110.22 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.0 -40.84 90.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.672 -1.268 . . . . 0.0 108.27 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.51 -39.47 91.1 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -80.75 -23.76 39.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 122.366 1.079 . . . . 0.0 108.219 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.727 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.628 0.728 . . . . 0.0 109.182 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.727 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 48.9 t-80 -61.53 -39.99 93.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.06 -1.025 . . . . 0.0 109.102 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.04 -30.34 69.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 109.5 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -59.81 -40.06 87.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.149 -0.97 . . . . 0.0 108.404 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 tp -73.85 -26.79 60.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.337 -0.852 . . . . 0.0 109.686 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.606 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -58.35 -24.41 59.68 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.395 -1.441 . . . . 0.0 110.274 -179.529 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -40.66 -41.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.085 -1.01 . . . . 0.0 109.177 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 19.3 pttt -69.97 -36.69 75.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.805 -0.559 . . . . 0.0 109.542 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.504 ' N ' ' O ' ' X' ' 109' ' ' MET . 37.6 p -63.11 -29.03 70.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.309 -0.869 . . . . 0.0 109.335 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 . 179.731 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.715 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.602 0.715 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.715 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 48.0 t-80 -61.5 -40.11 93.4 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.94 -30.25 68.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.96 -40.06 87.76 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.104 -0.998 . . . . 0.0 108.438 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.414 HD21 ' HZ3' ' Y' ' 111' ' ' LYS . 3.2 tp -73.8 -27.04 60.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.344 -0.848 . . . . 0.0 109.753 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -58.1 -24.38 58.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.387 -1.445 . . . . 0.0 110.183 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.512 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 4.1 p90 -40.71 -41.49 1.54 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.168 -0.957 . . . . 0.0 109.19 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 19.3 pttt -70.06 -37.58 75.55 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.793 -0.567 . . . . 0.0 109.501 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.503 ' N ' ' O ' ' Y' ' 109' ' ' MET . 38.3 p -61.44 -30.02 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.257 -0.902 . . . . 0.0 109.561 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 . -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.2 t 62.13 11.29 4.26 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.338 -0.851 . . . . 0.0 110.355 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.54 24.45 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.047 . . . . 0.0 108.872 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.4 tp -60.03 -31.88 70.38 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -64.8 -37.36 87.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.657 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.04 -40.04 95.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.0 83.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.7 mtt -61.72 -39.97 93.42 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.317 -0.865 . . . . 0.0 109.896 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.86 -40.01 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.0 96.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.7 -0.625 . . . . 0.0 111.691 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.07 -39.94 87.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.751 -1.218 . . . . 0.0 107.939 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.52 -40.02 85.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 O-C-N 121.829 -0.545 . . . . 0.0 110.775 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 41.1 t0 -60.39 -47.65 85.16 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.756 -1.215 . . . . 0.0 111.42 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -39.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.259 -0.9 . . . . 0.0 110.78 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.213 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -68.45 -24.67 64.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.109 -0.994 . . . . 0.0 110.451 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.92 -41.6 96.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.632 -1.293 . . . . 0.0 110.133 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.57 -38.9 11.65 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.895 -1.128 . . . . 0.0 111.919 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 p -60.48 -40.15 90.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 110.356 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.97 -12.33 81.3 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.97 -46.92 87.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -1.178 . . . . 0.0 109.114 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -87.21 -76.0 0.38 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 109.722 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.78 -27.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.605 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.19 7.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.727 -1.455 . . . . 0.0 109.396 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.0 -39.93 75.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.018 -1.052 . . . . 0.0 110.208 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.1 -20.0 46.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.295 -0.878 . . . . 0.0 110.947 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 41.8 tttt -131.62 154.45 48.88 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.179 -0.951 . . . . 0.0 109.949 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 tp -125.72 139.3 53.65 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.462 -0.773 . . . . 0.0 109.274 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' SER . 31.6 ttpt -108.59 148.6 30.08 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -43.45 -24.12 0.09 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.877 . . . . 0.0 109.979 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.463 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 20.8 t -73.69 -51.66 15.91 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.033 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.01 -39.41 94.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.0 -40.26 88.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.23 -39.99 88.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 109.612 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.93 -39.45 93.53 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 0.0 109.152 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.0 tt -61.01 -49.93 75.44 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.014 -1.054 . . . . 0.0 108.994 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.55 -48.31 53.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.406 -0.809 . . . . 0.0 111.344 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -64.22 -40.5 96.17 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.136 -0.977 . . . . 0.0 112.678 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -99.07 -34.62 10.32 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.199 -0.938 . . . . 0.0 113.0 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.831 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 tt0 -80.07 -9.27 59.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.387 -1.446 . . . . 0.0 109.938 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 39' ' ' GLU . 7.2 mt -141.6 50.31 1.58 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.06 -42.73 95.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.284 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -119.63 -26.12 5.8 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.242 -0.911 . . . . 0.0 110.132 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -61.67 -40.01 93.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.136 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -131.83 160.07 36.7 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.641 -1.223 . . . . 0.0 108.963 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.63 147.23 49.97 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -87.2 135.59 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.868 -1.145 . . . . 0.0 108.551 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -107.05 -17.43 14.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.466 -0.771 . . . . 0.0 110.123 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 45.3 tp10 -140.11 142.43 36.05 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.0 -26.84 67.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.651 -0.656 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 16.2 pt-20 -60.01 -37.23 79.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.92 -1.113 . . . . 0.0 110.222 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.05 -40.01 82.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.896 -1.128 . . . . 0.0 108.1 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.64 -37.77 80.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.03 -39.67 90.68 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.037 0.923 . . . . 0.0 109.671 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -66.81 -40.01 87.9 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.13 -28.77 44.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.48 -35.69 79.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -54.57 -37.91 66.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 106.942 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -80.66 -48.26 12.88 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.879 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.7 mt -89.35 -13.77 37.13 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.866 -1.146 . . . . 0.0 111.121 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 57' ' ' MET . 46.7 t0 -80.93 60.84 4.31 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.21 -40.04 84.57 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -74.82 -11.09 60.06 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.77 31.19 74.76 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.1 p-10 -107.67 6.65 27.95 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -1.144 . . . . 0.0 110.166 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 77.69 9.0 87.17 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -140.01 138.43 35.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.854 -0.792 . . . . 0.0 108.936 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 130.54 56.03 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.52 160.04 33.19 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.611 -0.681 . . . . 0.0 109.202 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.428 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.2 t80 -47.69 -36.67 11.58 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.05 -49.35 78.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.513 0.673 . . . . 0.0 109.853 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.0 mt-10 -60.01 -39.95 87.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 110.629 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.38 -31.6 71.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.407 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.428 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -60.04 -36.44 77.29 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.81 . . . . 0.0 109.413 -178.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.8 t80 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.865 -1.147 . . . . 0.0 109.588 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.22 -36.56 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.588 0.708 . . . . 0.0 109.411 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -61.77 -41.76 98.12 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.644 -0.66 . . . . 0.0 110.625 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.1 mtm -75.42 -41.67 55.46 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.489 -1.284 . . . . 0.0 111.427 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 76' ' ' PHE . 23.3 t -63.72 -37.32 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.089 -1.007 . . . . 0.0 109.915 -178.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 122.165 0.983 . . . . 0.0 108.852 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -56.51 -38.7 72.17 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.68 83.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.1 m -59.99 -35.9 76.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.43 -0.794 . . . . 0.0 109.63 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -59.95 -40.72 89.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.003 . . . . 0.0 108.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.66 -39.96 90.29 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -78.45 -47.85 16.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.515 -0.741 . . . . 0.0 110.258 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 3.8 t80 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.321 -0.862 . . . . 0.0 109.111 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.307 0.575 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.3 t 62.11 11.31 4.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.297 -0.877 . . . . 0.0 110.4 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.62 24.61 0.15 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.058 -1.026 . . . . 0.0 108.867 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.5 tp -60.02 -32.03 70.51 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.804 -0.759 . . . . 0.0 108.953 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -64.64 -37.5 87.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.159 -0.963 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.94 -40.03 95.51 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.9 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.01 83.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 110.349 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -61.92 -39.95 93.79 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.904 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.68 -39.98 86.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.02 96.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.784 -0.572 . . . . 0.0 111.682 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -39.99 87.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.717 -1.239 . . . . 0.0 107.97 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.55 -39.95 85.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 O-C-N 121.786 -0.571 . . . . 0.0 110.902 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 41.2 t0 -60.53 -47.51 85.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.767 -1.208 . . . . 0.0 111.459 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -39.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.16 -0.963 . . . . 0.0 110.791 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.61 -39.19 83.41 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.123 -0.985 . . . . 0.0 109.241 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -68.52 -24.55 64.67 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.479 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.94 -41.7 96.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.581 -1.324 . . . . 0.0 110.074 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.53 -39.07 11.57 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.857 -1.152 . . . . 0.0 111.873 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 44.7 p -60.34 -40.03 89.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.777 -1.202 . . . . 0.0 110.403 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.01 -12.34 81.22 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.06 -46.88 88.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -1.16 . . . . 0.0 109.082 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -87.24 -76.08 0.38 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.388 -0.82 . . . . 0.0 109.654 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.73 -27.1 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.595 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.1 7.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.446 . . . . 0.0 109.344 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.96 -39.99 75.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.978 -1.076 . . . . 0.0 110.194 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.07 -19.96 46.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.327 -0.858 . . . . 0.0 110.949 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.7 tttt -131.64 154.56 48.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.182 -0.949 . . . . 0.0 109.918 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -126.14 139.18 53.58 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.409 -0.807 . . . . 0.0 109.294 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' B' ' 30' ' ' SER . 31.9 ttpt -108.42 148.49 30.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.994 -1.066 . . . . 0.0 109.407 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -43.36 -24.2 0.09 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.28 -0.887 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 22.3 t -73.61 -51.52 16.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.007 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.11 -39.39 94.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.05 -40.23 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.687 -0.633 . . . . 0.0 110.437 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.24 -40.02 88.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.755 -1.216 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.98 -39.46 93.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.127 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.7 ' C ' HD23 ' B' ' 35' ' ' LEU . 6.8 tt -60.99 -50.0 75.14 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.936 -1.103 . . . . 0.0 109.022 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 36' ' ' ILE . 62.0 mt -71.43 -48.26 54.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.435 -0.791 . . . . 0.0 111.33 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.434 ' ND2' ' OD1' ' B' ' 38' ' ' ASN . 6.8 t30 -64.26 -40.61 96.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.13 -0.982 . . . . 0.0 112.66 -177.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' ND2' ' B' ' 37' ' ' ASN . 72.0 m-20 -99.05 -34.48 10.39 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.2 -0.938 . . . . 0.0 112.977 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.8 ' O ' HD23 ' B' ' 40' ' ' LEU . 18.2 tt0 -80.13 -9.51 59.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.437 -1.415 . . . . 0.0 109.881 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.8 HD23 ' O ' ' B' ' 39' ' ' GLU . 7.3 mt -141.36 50.15 1.61 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.245 -0.91 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.01 -42.66 94.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.0 . . . . 0.0 110.309 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -119.59 -26.28 5.78 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.277 -0.889 . . . . 0.0 110.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.61 -39.92 92.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 110.15 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.91 160.12 36.65 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 9.0 pt-20 -54.45 112.35 0.98 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.006 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.53 146.97 50.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -86.9 135.65 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.851 -1.156 . . . . 0.0 108.52 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -107.08 -17.54 14.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.408 -0.808 . . . . 0.0 110.088 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 45.3 tp10 -140.13 142.6 36.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.192 -0.942 . . . . 0.0 110.535 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.1 -26.83 67.94 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.771 -0.581 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 16.1 pt-20 -60.03 -37.21 79.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.825 -1.172 . . . . 0.0 110.177 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.05 -39.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.869 -1.145 . . . . 0.0 108.16 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.73 -37.56 80.01 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.28 -39.66 91.22 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.051 0.929 . . . . 0.0 109.637 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.85 -39.98 87.75 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.09 -28.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -67.36 -35.69 79.85 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.472 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -54.53 -38.04 66.11 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.142 -1.599 . . . . 0.0 106.869 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 -48.22 13.02 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 26.5 mt -89.43 -13.68 37.1 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.816 -1.177 . . . . 0.0 111.115 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.7 t0 -80.93 60.78 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -59.17 -39.96 84.15 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.97 -11.0 60.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.27 74.61 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 33.0 p-10 -107.69 6.54 27.81 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.277 -1.131 . . . . 0.0 110.161 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 77.74 9.03 87.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 108.143 -1.983 . . . . 0.0 108.143 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -139.97 138.42 35.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.885 -0.773 . . . . 0.0 108.945 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.83 130.39 56.11 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.43 159.98 33.21 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.6 -0.687 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.2 t80 -47.66 -36.71 11.47 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -59.99 -49.28 78.31 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.544 0.688 . . . . 0.0 109.852 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 40.8 mt-10 -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 110.612 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -67.54 -31.42 71.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.956 -1.09 . . . . 0.0 109.417 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.433 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.449 -179.076 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.71 71.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.926 -1.109 . . . . 0.0 110.617 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.441 ' O ' HG23 ' B' ' 80' ' ' VAL . 88.2 t80 -60.03 -39.98 87.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.815 -1.178 . . . . 0.0 109.488 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.441 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.4 OUTLIER -63.0 -36.78 77.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.583 0.706 . . . . 0.0 109.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -61.83 -41.64 98.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.649 -0.657 . . . . 0.0 110.646 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.2 mtm -75.5 -41.55 55.01 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.4 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 76' ' ' PHE . 21.6 t -63.89 -37.11 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.822 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.04 -40.02 87.92 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 122.104 0.954 . . . . 0.0 108.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 m -56.35 -38.9 72.01 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.81 83.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 23.4 m -59.9 -35.75 75.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 109.643 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -59.96 -40.87 90.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.116 -0.99 . . . . 0.0 108.849 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.48 -40.05 89.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -78.57 -47.77 16.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.509 -0.744 . . . . 0.0 110.217 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 3.7 t80 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.341 -0.849 . . . . 0.0 109.061 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' X' ' 109' ' ' MET . 40.2 m80 -66.52 -33.38 75.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.17 -32.79 70.23 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 38.0 ttpt -59.94 -39.0 84.06 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.4 -28.11 68.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 110.08 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -64.13 -24.57 67.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.636 -1.29 . . . . 0.0 110.115 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.656 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.0 -38.45 7.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.534 -1.354 . . . . 0.0 110.378 -178.652 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.656 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.35 -39.18 33.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.695 -1.253 . . . . 0.0 109.87 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.15 -30.62 38.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.856 -1.153 . . . . 0.0 108.726 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 . 179.414 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 39.7 m80 -66.46 -33.27 75.32 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.36 -32.43 70.11 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 38.2 ttpt -60.0 -39.23 85.08 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.21 -28.28 68.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.523 -0.736 . . . . 0.0 110.046 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -63.94 -24.6 67.79 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.7 -1.25 . . . . 0.0 110.162 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.643 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.06 -38.45 7.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.584 -1.322 . . . . 0.0 110.347 -178.574 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.58 -37.86 35.32 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.743 -1.223 . . . . 0.0 110.05 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -30.01 55.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.923 -1.111 . . . . 0.0 108.54 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 0.0 . 179.235 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.45 0.643 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 p 50.72 22.03 1.04 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.458 -0.776 . . . . 0.0 109.369 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.95 -8.78 57.47 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.538 0.685 . . . . 0.0 109.363 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tt -51.31 -22.94 3.14 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.69 -0.632 . . . . 0.0 110.061 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.93 -40.05 79.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.526 -1.359 . . . . 0.0 109.183 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -70.16 -32.29 70.18 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.03 79.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.849 -0.532 . . . . 0.0 110.769 -178.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -66.67 -39.92 88.38 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.095 -1.003 . . . . 0.0 109.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.14 -37.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.955 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.45 72.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.304 -0.872 . . . . 0.0 110.341 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.74 -34.81 29.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.892 -0.505 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.15 -43.59 95.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.893 -178.433 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -25.05 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.184 -0.947 . . . . 0.0 109.777 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.88 -40.88 90.2 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.714 -1.242 . . . . 0.0 108.984 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -80.42 -22.65 40.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.431 -0.793 . . . . 0.0 110.433 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -53.38 -47.61 69.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.743 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.548 ' CE1' HD12 ' A' ' 35' ' ' LEU . 25.0 p90 -111.34 -25.98 9.37 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 121.249 -0.907 . . . . 0.0 111.918 -178.463 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.1 t -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.718 -1.239 . . . . 0.0 110.152 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.88 90.39 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -59.99 -48.85 80.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.037 -1.272 . . . . 0.0 109.855 -179.67 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -89.97 -79.86 0.33 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.223 -0.923 . . . . 0.0 109.975 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.03 -28.91 0.02 OUTLIER Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.433 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' LYS . 22.4 m-20 -73.38 72.26 1.31 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.922 -1.34 . . . . 0.0 108.505 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.99 -49.88 75.93 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.615 -0.678 . . . . 0.0 110.95 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -89.75 -4.43 57.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.058 -1.026 . . . . 0.0 111.464 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 23' ' ' ASP . 18.6 mtpp -135.31 158.11 45.21 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.006 -1.059 . . . . 0.0 110.602 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -125.98 131.76 52.18 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.824 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.7 mttt -103.96 159.99 15.19 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.889 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -49.0 -24.62 1.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 28' ' ' LYS . 25.3 t -74.37 -45.38 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.781 179.104 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -70.05 -34.36 73.11 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.89 -42.96 94.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -62.53 -36.51 82.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.558 -0.714 . . . . 0.0 110.067 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.905 -1.122 . . . . 0.0 109.417 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 17' ' ' TYR . 1.3 tt -68.95 -45.35 70.95 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.956 -1.09 . . . . 0.0 108.975 178.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.607 HG21 HD12 ' A' ' 47' ' ' ILE . 89.4 mt -69.94 -41.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.445 -0.785 . . . . 0.0 111.866 -177.708 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' C ' HD22 ' A' ' 38' ' ' ASN . 10.9 t-20 -71.1 -39.79 71.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.788 -1.195 . . . . 0.0 111.205 -179.164 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.551 HD22 ' N ' ' A' ' 38' ' ' ASN . 2.0 m120 -100.95 -32.93 10.4 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.071 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.5 tp10 -81.68 -14.95 55.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.376 -1.453 . . . . 0.0 110.74 -176.852 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 44' ' ' LEU . 45.9 mt -115.82 54.85 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.418 -0.801 . . . . 0.0 109.263 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -60.06 -40.4 89.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.124 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.34 -16.56 0.56 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.023 -1.048 . . . . 0.0 110.595 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.5 -45.77 92.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.837 -1.165 . . . . 0.0 109.382 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HB3' HD13 ' A' ' 40' ' ' LEU . 11.5 tp -134.27 149.09 50.9 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.257 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.524 ' O ' ' NH2' ' X' ' 104' ' ' ARG . 88.6 tt0 -56.18 114.11 1.83 Allowed 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.482 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.6 pm0 -66.65 170.48 6.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.646 -0.659 . . . . 0.0 109.693 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 36' ' ' ILE . 86.4 mt -98.28 140.01 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 -24.48 10.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.57 -0.706 . . . . 0.0 110.512 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 59.5 mp0 -115.34 139.94 49.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.431 -0.793 . . . . 0.0 109.181 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.67 -17.86 63.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.108 -0.995 . . . . 0.0 109.457 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.24 -39.97 94.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.949 -1.095 . . . . 0.0 109.802 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.13 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.97 -40.06 85.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.91 -39.22 91.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.467 -0.771 . . . . 0.0 109.867 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -67.44 -39.93 85.4 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.878 0.847 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.69 -29.57 44.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 80.9 mmm -74.17 -26.0 60.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.764 -0.775 . . . . 0.0 109.047 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -39.95 87.75 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -79.29 -40.5 30.28 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.1 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.53 -20.06 27.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.043 -1.036 . . . . 0.0 110.495 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.7 t0 -80.3 62.11 4.32 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -76.3 -11.64 59.94 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.4 31.11 79.65 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 11.3 p30 -107.18 7.87 29.74 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.281 -1.129 . . . . 0.0 110.175 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.22 1.85 86.39 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -141.04 151.34 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.526 -0.985 . . . . 0.0 109.055 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -118.23 138.67 52.18 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -83.25 171.84 13.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.141 -0.974 . . . . 0.0 109.56 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.456 ' CE2' HG23 ' B' ' 82' ' ' THR . 6.6 t80 -52.01 -39.99 60.3 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.165 -0.959 . . . . 0.0 108.756 -179.608 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -60.42 -51.58 68.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 110.575 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.21 -40.57 96.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.784 -1.198 . . . . 0.0 110.292 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.99 -34.2 74.41 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.478 -0.764 . . . . 0.0 109.956 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.0 -36.76 77.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.366 -0.834 . . . . 0.0 109.818 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.99 73.74 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.004 -1.078 . . . . 0.0 111.311 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.08 -39.96 87.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.919 -1.113 . . . . 0.0 110.364 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.6 -36.03 76.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-O 121.42 0.629 . . . . 0.0 109.522 -178.662 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.07 -40.72 98.51 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.536 -0.728 . . . . 0.0 110.085 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.3 mtp -73.39 -43.59 60.24 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.288 -0.883 . . . . 0.0 111.518 -178.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.24 -37.96 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.096 -1.003 . . . . 0.0 109.894 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.96 -39.85 87.06 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.467 HG23 ' CE2' ' B' ' 70' ' ' PHE . 4.1 m -53.38 -39.99 64.66 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.41 82.81 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.25 -34.77 70.82 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -59.99 -40.69 90.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.063 -1.023 . . . . 0.0 108.276 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.84 -40.04 91.34 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.22 -41.31 77.22 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.127 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.386 0.612 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.9 p 50.59 21.99 0.99 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.831 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.07 -8.66 57.18 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.612 -0.68 . . . . 0.0 109.474 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.4 -23.23 3.59 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.664 -0.648 . . . . 0.0 109.943 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -68.59 -40.09 80.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.693 -1.254 . . . . 0.0 109.235 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.99 78.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.92 -0.488 . . . . 0.0 110.698 -178.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -66.85 -40.03 87.76 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.014 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.99 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.556 -0.715 . . . . 0.0 109.953 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.78 72.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.377 -0.827 . . . . 0.0 110.293 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.06 84.81 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.2 -35.06 32.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.911 -0.493 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.063 -1.023 . . . . 0.0 110.922 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.98 -25.07 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.145 -0.972 . . . . 0.0 109.788 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.71 -41.63 91.24 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.696 -1.252 . . . . 0.0 108.875 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -80.22 -22.12 42.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.456 -0.778 . . . . 0.0 110.546 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -54.0 -47.65 71.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.091 -1.006 . . . . 0.0 110.587 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.533 ' CE1' HD12 ' B' ' 35' ' ' LEU . 23.3 p90 -111.0 -26.15 9.42 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 121.274 -0.891 . . . . 0.0 111.962 -178.482 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.669 -1.269 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.83 -4.89 90.34 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.313 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.051 -1.264 . . . . 0.0 110.215 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -89.99 -79.83 0.33 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.358 -0.839 . . . . 0.0 110.003 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.14 -28.86 0.02 OUTLIER Glycine 0 N--CA 1.493 2.468 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.395 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' B' ' 26' ' ' LYS . 22.3 m-20 -73.1 72.31 1.17 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.799 -1.413 . . . . 0.0 108.553 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.94 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 0.0 110.95 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -90.02 -4.32 57.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.033 -1.042 . . . . 0.0 111.455 -178.022 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.0 mtpp -135.25 158.29 44.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.958 -1.089 . . . . 0.0 110.601 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -126.04 131.89 52.08 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.782 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' B' ' 30' ' ' SER . 94.4 mttt -104.09 160.17 15.07 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -49.38 -24.53 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' C ' ' B' ' 28' ' ' LYS . 27.3 t -74.28 -45.51 47.21 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.774 179.136 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -69.91 -34.23 73.23 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.04 -42.39 94.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.586 -0.696 . . . . 0.0 109.152 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -63.41 -36.23 83.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.531 -0.731 . . . . 0.0 109.989 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.989 -1.069 . . . . 0.0 109.558 -178.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -69.72 -44.75 69.68 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.858 -1.137 . . . . 0.0 108.93 179.269 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.638 HG21 HD12 ' B' ' 47' ' ' ILE . 87.8 mt -70.02 -41.33 79.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.465 -0.772 . . . . 0.0 111.837 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.532 ' C ' HD22 ' B' ' 38' ' ' ASN . 10.7 t-20 -71.17 -39.94 71.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.82 -1.175 . . . . 0.0 111.265 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.571 HD22 ' N ' ' B' ' 38' ' ' ASN . 1.9 m120 -100.98 -32.41 10.64 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.265 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.5 tp10 -81.75 -15.06 55.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.422 -1.423 . . . . 0.0 110.661 -176.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' B' ' 44' ' ' LEU . 43.0 mt -115.85 55.34 0.79 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.439 -0.788 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.95 -40.85 90.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.34 -0.85 . . . . 0.0 110.058 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -144.16 -16.51 0.58 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.021 -1.05 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.54 -45.85 92.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.833 -1.167 . . . . 0.0 109.429 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' B' ' 40' ' ' LEU . 11.4 tp -134.31 149.16 50.87 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.497 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 88.3 tt0 -56.11 113.58 1.59 Allowed 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.49 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 1.6 pm0 -66.31 170.79 5.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.563 -0.711 . . . . 0.0 109.665 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.638 HD12 HG21 ' B' ' 36' ' ' ILE . 81.7 mt -98.6 139.96 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.228 -0.92 . . . . 0.0 109.46 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -24.12 10.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.605 -0.685 . . . . 0.0 110.471 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 59.6 mp0 -115.46 140.07 49.47 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.368 -0.832 . . . . 0.0 109.123 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.91 -17.74 63.35 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.441 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.4 pt-20 -62.35 -40.05 95.12 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.965 -1.084 . . . . 0.0 109.811 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 87.4 t -60.12 -39.94 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.93 -39.97 85.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.63 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -62.2 -38.95 91.09 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.471 -0.768 . . . . 0.0 109.837 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -67.68 -40.03 84.44 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.926 0.87 . . . . 0.0 108.945 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.45 -29.57 44.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 80.3 mmm -74.26 -26.06 59.99 Favored 'General case' 0 C--O 1.199 -1.559 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.106 179.378 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.99 -40.0 87.67 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 178.123 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -79.54 -39.94 30.71 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.101 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.05 -19.93 26.43 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.994 -1.066 . . . . 0.0 110.39 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -80.49 62.25 4.52 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.98 -37.37 79.43 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -76.34 -11.81 59.96 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.17 31.25 80.07 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 11.9 p30 -107.22 7.75 29.58 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.283 -1.128 . . . . 0.0 110.065 -179.498 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.14 2.18 86.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.7 pt-20 -141.4 151.29 43.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -1.018 . . . . 0.0 108.873 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -118.51 138.52 52.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -82.96 171.95 13.31 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.467 ' CE2' HG23 ' A' ' 82' ' ' THR . 6.4 t80 -51.97 -39.99 60.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.29 -0.881 . . . . 0.0 108.775 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.48 -51.69 68.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.825 . . . . 0.0 110.537 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -61.94 -41.15 97.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.884 -1.135 . . . . 0.0 110.337 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.58 -34.31 74.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.4 -0.812 . . . . 0.0 109.991 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -36.51 77.18 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.33 -0.856 . . . . 0.0 109.783 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.42 74.82 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 118.936 -1.105 . . . . 0.0 111.408 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.04 -40.03 87.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.832 -1.167 . . . . 0.0 110.301 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.473 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.57 -35.82 75.68 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.224 0 CA-C-O 121.402 0.62 . . . . 0.0 109.603 -178.6 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.908 -179.18 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.69 -43.07 60.34 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 111.505 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.66 -38.12 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.115 -0.991 . . . . 0.0 109.877 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.01 84.08 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.0 m -53.92 -40.32 66.6 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.7 81.56 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 -34.66 71.09 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.0 -40.95 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.995 -1.065 . . . . 0.0 108.401 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.74 -40.03 90.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.2 -41.59 76.9 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.156 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 45' ' ' GLU . 4.5 ptm180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.118 0.485 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 7.2 p80 -60.01 -38.93 84.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.963 -1.086 . . . . 0.0 109.47 -179.53 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.632 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 35.8 ttpt -59.97 -32.39 70.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.474 -0.766 . . . . 0.0 109.194 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.73 -42.73 93.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.02 -1.05 . . . . 0.0 109.176 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.48 -26.07 60.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.882 -1.136 . . . . 0.0 109.63 178.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.521 ' O ' ' N ' ' X' ' 112' ' ' THR . 39.1 mmt -57.24 -24.24 53.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.587 -1.321 . . . . 0.0 109.55 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.41 -41.51 6.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.816 -1.177 . . . . 0.0 109.011 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.503 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 23.2 pttt -69.47 -32.53 71.5 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.773 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.521 ' N ' ' O ' ' X' ' 109' ' ' MET . 85.1 m -60.75 -39.92 90.5 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -178.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.428 -0.795 . . . . 0.0 . -179.817 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.497 ' NH2' ' O ' ' B' ' 45' ' ' GLU . 4.4 ptm180 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 7.0 p80 -59.97 -39.07 84.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.857 -1.152 . . . . 0.0 109.443 -179.483 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.639 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 35.9 ttpt -59.99 -32.29 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 109.192 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.38 -43.05 92.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.947 -1.095 . . . . 0.0 109.175 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.45 -26.03 60.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.865 -1.147 . . . . 0.0 109.506 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' Y' ' 112' ' ' THR . 38.4 mmt -57.22 -24.45 54.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.541 -1.349 . . . . 0.0 109.584 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.06 -41.76 5.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.875 -1.141 . . . . 0.0 109.056 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 25.8 pttt -69.22 -33.32 73.12 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' Y' ' 109' ' ' MET . 89.7 m -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.064 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 . -179.668 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.209 0.528 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.06 20.18 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 109.72 179.346 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.05 -5.91 44.36 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.47 0.653 . . . . 0.0 109.796 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.0 tp -44.06 -24.38 0.15 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.589 -0.694 . . . . 0.0 110.402 -178.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -67.42 -40.04 85.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.554 -1.341 . . . . 0.0 109.045 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.52 -39.98 73.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.496 -0.752 . . . . 0.0 110.02 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.97 94.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.805 . . . . 0.0 111.079 -178.519 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -67.01 -39.96 87.2 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.033 -1.042 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.5 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.259 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.25 67.49 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.346 -0.846 . . . . 0.0 111.41 -178.399 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.46 -37.32 77.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.92 -47.0 87.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.988 -1.07 . . . . 0.0 111.145 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -38.99 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.891 -1.13 . . . . 0.0 109.685 -179.405 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 36.1 t80 -56.23 -39.95 73.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.465 -1.397 . . . . 0.0 108.595 -179.589 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -69.87 -21.84 63.3 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.241 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.97 -43.7 94.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 110.421 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 64.7 m-85 -97.23 -36.26 10.49 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.799 -1.188 . . . . 0.0 112.196 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.498 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 58.0 m -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.944 -1.097 . . . . 0.0 111.122 -177.38 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.26 -4.2 67.9 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 119.945 -1.121 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -70.05 -45.68 66.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.809 -1.406 . . . . 0.0 110.525 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.57 161.06 17.87 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.523 -0.736 . . . . 0.0 110.252 -178.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -45.7 -23.65 1.0 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.528 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.7 m-20 -72.02 57.98 0.34 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.956 -1.32 . . . . 0.0 108.44 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.3 mtmt -66.4 -39.99 89.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.467 -0.77 . . . . 0.0 110.892 -178.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 85.6 t60 -87.68 -7.74 57.03 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.136 -0.978 . . . . 0.0 111.453 -178.121 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.0 ptpt -144.83 167.7 21.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.802 -1.186 . . . . 0.0 109.733 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 21.0 mt -120.44 127.4 52.21 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.4 tttp -92.29 149.24 21.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 178.811 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.3 pttm -45.02 -22.86 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.7 t -80.05 -49.92 11.09 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.219 0.533 . . . . 0.0 109.701 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 60.4 tt0 -68.53 -34.34 75.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.99 -41.42 92.03 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.662 -0.649 . . . . 0.0 109.712 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 88.0 tttt -60.03 -39.97 87.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 -179.098 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.05 -39.99 91.93 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.5 tt -60.87 -48.91 79.63 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.241 -0.912 . . . . 0.0 109.118 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.29 -46.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.315 -0.865 . . . . 0.0 112.09 -178.064 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.575 HD22 ' HB ' ' A' ' 47' ' ' ILE . 2.9 m120 -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 112.608 -176.502 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.4 -38.78 9.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.172 -0.955 . . . . 0.0 112.494 -176.705 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 23.8 tt0 -67.41 -40.06 85.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.443 -1.411 . . . . 0.0 108.905 -178.566 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -99.79 63.67 1.22 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 110.002 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -135.86 -17.07 1.69 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.281 -0.887 . . . . 0.0 109.955 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.73 -41.24 97.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.068 -1.02 . . . . 0.0 109.966 -179.356 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 45' ' ' GLU . 5.2 tt -130.96 153.33 49.31 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.496 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 54.3 tp10 -59.42 113.91 2.42 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.057 -179.241 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 37' ' ' ASN . 31.6 mt-10 -56.45 166.38 0.9 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.708 0.766 . . . . 0.0 109.706 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.575 ' HB ' HD22 ' A' ' 37' ' ' ASN . 5.1 mm -95.56 140.03 17.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -108.65 -14.11 14.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.461 -0.774 . . . . 0.0 109.988 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -137.09 149.15 47.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.202 -0.936 . . . . 0.0 110.81 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.434 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 9.5 mm100 -69.73 -24.99 63.63 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.1 pt-20 -60.75 -39.98 90.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.744 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 95.0 t -60.13 -39.95 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.046 -1.034 . . . . 0.0 108.667 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.24 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.82 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -67.48 -35.21 78.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.341 -0.849 . . . . 0.0 109.934 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.52 -40.0 80.99 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -63.91 -35.2 72.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.311 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.99 -26.1 63.93 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.575 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.95 -40.06 87.71 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.6 m -82.78 -37.91 23.92 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.38 178.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.63 -18.11 30.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.081 -1.012 . . . . 0.0 110.786 -177.966 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.596 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 58.9 t0 -80.92 61.44 4.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.503 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 59.4 mt-10 -60.01 -39.96 87.58 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.717 -177.51 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -84.96 -2.85 58.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.0 -1.062 . . . . 0.0 108.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.75 34.53 87.64 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.375 178.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 44.9 p-10 -104.93 -0.71 26.71 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.102 -1.234 . . . . 0.0 110.102 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.596 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.46 4.46 87.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 29.6 mt-10 -137.94 133.53 33.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.629 -0.924 . . . . 0.0 108.537 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 p -95.4 122.2 37.87 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.034 -1.041 . . . . 0.0 108.724 179.345 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -77.96 170.56 16.39 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -178.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 3.3 t80 -44.66 -44.12 8.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -62.15 -49.98 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.522 -0.736 . . . . 0.0 110.326 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -61.55 -40.04 93.24 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.283 -0.886 . . . . 0.0 110.666 -178.418 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.44 ' CE1' HG22 ' A' ' 77' ' ' VAL . 65.0 t80 -68.7 -29.12 67.49 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.942 -1.099 . . . . 0.0 109.413 179.624 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -39.51 85.98 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.368 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.99 -33.27 71.83 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.48 ' HB2' HD11 ' A' ' 60' ' ' LEU . 88.2 t80 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.879 -1.138 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.44 HG22 ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -65.78 -34.46 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 0.0 110.03 -178.712 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 3.3 p -68.94 -39.38 79.6 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.189 -0.944 . . . . 0.0 109.419 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.55 -45.76 74.72 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 111.495 -178.521 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.28 -35.4 62.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.034 -1.042 . . . . 0.0 110.148 -178.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -60.09 -40.01 88.14 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -54.36 -37.81 65.37 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.0 87.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.492 -0.755 . . . . 0.0 109.41 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 t -60.21 -38.63 83.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 0.0 109.522 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.428 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 43.3 t-80 -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.222 -179.714 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.68 -41.14 97.15 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.676 179.198 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -77.51 -40.0 44.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.47 -0.769 . . . . 0.0 109.547 179.169 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.071 0.462 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 49.8 20.1 0.51 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.015 -1.053 . . . . 0.0 109.682 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -74.2 -5.81 44.12 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.622 -0.674 . . . . 0.0 109.895 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.4 tp -43.98 -24.51 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.652 -0.655 . . . . 0.0 110.343 -178.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.2 tt0 -67.15 -40.17 86.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.572 -1.33 . . . . 0.0 109.14 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.43 -39.97 74.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.587 -0.696 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.01 93.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 110.995 -178.425 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.5 mtt -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.951 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.22 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.293 -0.88 . . . . 0.0 111.457 -178.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.99 -40.04 87.82 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.42 -37.3 77.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.357 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.03 -46.9 87.98 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.006 -1.058 . . . . 0.0 111.116 -178.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -39.02 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.927 -1.108 . . . . 0.0 109.618 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 35.6 t80 -56.36 -39.96 73.74 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.421 -1.424 . . . . 0.0 108.587 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -69.69 -22.06 63.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.205 -0.935 . . . . 0.0 109.318 179.501 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.99 -43.53 95.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.127 -0.983 . . . . 0.0 110.397 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.466 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 64.4 m-85 -97.11 -36.34 10.51 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.767 -1.208 . . . . 0.0 112.293 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 54.8 m -59.97 -40.05 87.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.984 -1.072 . . . . 0.0 111.193 -177.345 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -4.28 67.43 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -70.24 -45.6 66.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.775 -1.426 . . . . 0.0 110.528 -179.456 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.48 161.13 17.71 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.517 -0.739 . . . . 0.0 110.312 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -45.87 -23.45 1.03 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.51 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.6 m-20 -72.17 58.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.962 -1.316 . . . . 0.0 108.319 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 22' ' ' GLY . 51.1 mtmt -66.6 -40.04 88.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.774 . . . . 0.0 110.799 -178.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.415 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 85.6 t60 -87.78 -7.33 57.44 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.009 -1.057 . . . . 0.0 111.434 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 14.2 ptpt -144.95 167.75 21.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.787 -1.196 . . . . 0.0 109.684 -179.311 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -120.52 127.27 52.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.6 tttp -92.25 149.42 21.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.3 pttm -45.06 -22.81 0.11 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.924 0.869 . . . . 0.0 108.906 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.6 t -79.86 -50.17 10.88 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.268 0.556 . . . . 0.0 109.759 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.466 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 60.7 tt0 -68.63 -34.03 75.04 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.657 -0.652 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.434 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 88.1 tttt -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.835 -179.172 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -61.27 -39.99 92.44 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.692 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.8 tt -60.79 -49.31 78.02 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.477 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.99 -46.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.32 -0.863 . . . . 0.0 112.166 -178.02 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.56 HD22 ' HB ' ' B' ' 47' ' ' ILE . 2.9 m120 -69.98 -40.03 75.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 112.693 -176.637 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.43 -38.52 10.0 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.165 -0.959 . . . . 0.0 112.473 -176.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 24.9 tt0 -67.53 -40.06 85.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.474 -1.391 . . . . 0.0 108.898 -178.545 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.8 63.62 1.22 Allowed 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -59.92 -40.07 87.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 -179.254 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -135.8 -17.09 1.7 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.233 -0.917 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.83 -40.94 97.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.062 -1.023 . . . . 0.0 110.069 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -131.19 153.19 49.7 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.19 114.16 2.49 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.656 -1.217 . . . . 0.0 108.976 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 31.0 mt-10 -56.75 166.32 0.99 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.726 0.774 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.56 ' HB ' HD22 ' B' ' 37' ' ' ASN . 4.9 mm -95.52 139.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -108.6 -14.36 14.64 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.544 -0.723 . . . . 0.0 109.989 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.8 148.99 47.5 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.986 . . . . 0.0 110.883 -179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.434 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 9.5 mm100 -69.38 -24.82 63.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.071 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.0 pt-20 -60.91 -39.98 91.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.438 -0.789 . . . . 0.0 110.692 -178.611 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 93.2 t -60.08 -39.98 81.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 108.583 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.16 -36.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -67.48 -35.08 78.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 109.917 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.69 -40.02 80.26 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.01 -35.14 72.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -69.97 -26.15 63.96 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 20.9 m -82.71 -38.24 23.62 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 178.436 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.37 -18.11 30.79 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.093 -1.004 . . . . 0.0 110.855 -177.941 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.61 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 58.7 t0 -80.91 61.28 4.46 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 178.662 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.5 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 57.9 mt-10 -60.04 -40.14 88.33 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.691 -177.321 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -84.7 -2.78 58.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.989 -1.07 . . . . 0.0 108.964 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 34.65 88.1 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.382 178.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 45.4 p-10 -105.05 -0.41 26.79 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.076 -1.25 . . . . 0.0 109.996 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.61 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.16 4.45 86.43 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 30.9 mt-10 -137.96 133.53 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.584 -0.95 . . . . 0.0 108.462 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.49 122.24 38.02 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.128 -0.982 . . . . 0.0 108.705 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -78.0 170.59 16.36 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -178.389 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 3.2 t80 -44.72 -43.86 8.77 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -62.21 -50.03 73.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.519 -0.738 . . . . 0.0 110.307 179.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 49.0 mt-10 -61.65 -40.03 93.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.23 -0.919 . . . . 0.0 110.641 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' B' ' 77' ' ' VAL . 69.0 t80 -68.78 -29.0 67.28 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.91 -1.119 . . . . 0.0 109.358 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.54 85.97 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.49 -179.175 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -70.01 -33.38 71.94 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.785 -1.197 . . . . 0.0 110.063 -179.562 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' B' ' 60' ' ' LEU . 89.0 t80 -60.06 -40.01 87.99 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.861 -1.149 . . . . 0.0 110.598 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.443 HG22 ' CE2' ' B' ' 73' ' ' PHE . 0.1 OUTLIER -65.7 -34.39 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.504 -0.748 . . . . 0.0 110.055 -178.719 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 3.2 p -69.02 -39.08 79.48 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.231 -0.918 . . . . 0.0 109.465 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.9 mtp -68.0 -45.66 73.44 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 111.487 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.97 -35.55 64.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.138 -0.976 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.4 m -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HZ2' ' Y' ' 111' ' ' LYS . 4.2 m -54.57 -37.6 65.67 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.42 178.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 t -59.99 -39.04 84.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.574 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -60.05 -40.54 89.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.102 -0.999 . . . . 0.0 109.08 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.36 -41.33 96.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.173 -0.954 . . . . 0.0 108.677 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -77.48 -39.99 44.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.625 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -59.4 -30.43 68.45 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.93 -34.3 73.04 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 47.7 mtmt -59.91 -39.32 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.376 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 41.4 tp -70.05 -25.54 63.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.713 178.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.434 ' O ' ' N ' ' X' ' 112' ' ' THR . 59.5 mtt -66.41 -24.47 66.47 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.809 -1.182 . . . . 0.0 110.061 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.72 -34.48 5.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 108.869 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -73.77 -39.55 64.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.145 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.434 ' N ' ' O ' ' X' ' 109' ' ' MET . 72.7 p -60.04 -32.21 70.7 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.526 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 . 179.746 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.32 -30.35 68.29 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.98 -34.29 73.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.402 -0.811 . . . . 0.0 108.955 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 48.8 mtmt -59.8 -39.33 84.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.256 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.92 -25.92 63.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.555 -0.715 . . . . 0.0 109.687 178.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.426 ' O ' ' N ' ' Y' ' 112' ' ' THR . 62.2 mtt -66.23 -24.42 66.6 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.839 -1.163 . . . . 0.0 110.089 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.61 -34.64 5.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.917 -1.114 . . . . 0.0 108.902 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.581 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -73.51 -40.01 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.165 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.426 ' N ' ' O ' ' Y' ' 109' ' ' MET . 71.6 p -59.98 -31.51 69.97 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.642 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 0.0 . 179.738 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 2' ' ' GLU . 52.8 tpp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 3' ' ' LEU . 67.6 m 52.5 8.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.3 pt-20 -75.7 22.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.272 -0.893 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 3' ' ' LEU . 2.3 tm? -60.04 -37.51 80.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.315 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -61.77 -38.98 90.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.431 -0.793 . . . . 0.0 109.868 179.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.96 -39.97 93.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.026 -1.046 . . . . 0.0 108.455 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.01 91.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.585 -0.697 . . . . 0.0 109.48 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.6 mtt -62.07 -40.05 94.47 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.875 0.845 . . . . 0.0 110.055 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.6 -37.81 80.33 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 O-C-N 121.819 -0.551 . . . . 0.0 110.02 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.35 80.47 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.441 -0.787 . . . . 0.0 111.467 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.01 -39.93 87.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.838 -1.164 . . . . 0.0 108.434 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.64 -40.0 81.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.626 -0.671 . . . . 0.0 110.963 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.83 -45.23 90.5 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.614 -1.304 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.02 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.094 -1.003 . . . . 0.0 110.659 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.678 ' CE1' HD23 ' A' ' 27' ' ' LEU . 87.0 t80 -60.02 -39.62 86.45 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.86 -1.15 . . . . 0.0 108.967 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.82 -27.12 68.02 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.098 -1.001 . . . . 0.0 110.016 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.0 -41.86 92.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 110.651 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -96.69 -33.56 11.69 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.76 -1.212 . . . . 0.0 112.492 -178.639 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -64.65 -39.95 94.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.903 -1.123 . . . . 0.0 111.057 -178.38 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 -9.58 86.88 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.559 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 79.7 tt0 -94.48 -3.03 50.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 109.081 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.71 -6.81 79.91 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -82.52 69.77 9.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.838 -1.389 . . . . 0.0 108.402 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -70.01 -42.21 73.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.883 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 19.7 p80 -79.03 -13.75 59.59 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.054 -1.029 . . . . 0.0 111.32 -178.288 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' NZ ' ' OD2' ' A' ' 65' ' ' ASP . 44.1 tttt -141.68 159.95 41.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.822 -1.174 . . . . 0.0 109.46 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD23 ' CE1' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -120.02 129.86 54.45 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.725 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.603 ' N ' HD13 ' A' ' 27' ' ' LEU . 35.4 ttpt -102.98 140.46 37.22 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.891 -1.13 . . . . 0.0 109.544 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -38.96 -23.38 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.413 0.625 . . . . 0.0 109.82 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.7 m -72.7 -54.57 8.62 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.425 -178.167 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 21' ' ' GLU . 61.7 mt-10 -67.31 -28.68 68.2 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.999 -1.063 . . . . 0.0 108.215 179.195 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.08 -48.42 81.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.439 -0.788 . . . . 0.0 109.55 179.359 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 64.5 tttm -61.32 -39.97 92.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.143 -0.973 . . . . 0.0 110.758 -179.093 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.35 -36.51 83.93 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 109.26 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.92 -50.0 65.96 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.031 -1.043 . . . . 0.0 108.829 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.56 -48.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.536 -0.727 . . . . 0.0 111.382 -177.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.03 -38.7 66.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.883 -1.136 . . . . 0.0 112.296 -177.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -98.35 -36.44 9.99 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.427 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.872 ' O ' HD23 ' A' ' 40' ' ' LEU . 24.3 tt0 -83.0 -13.27 56.26 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.24 -1.538 . . . . 0.0 109.95 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 39' ' ' GLU . 5.1 mt -143.13 45.21 1.55 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.951 . . . . 0.0 109.073 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -60.0 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.192 -0.943 . . . . 0.0 110.397 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -100.34 -12.51 19.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.152 -0.967 . . . . 0.0 110.373 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.92 -9.92 54.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.087 -1.008 . . . . 0.0 109.476 -179.544 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.587 HD11 HG11 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -153.28 170.17 21.26 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' H ' HD23 ' A' ' 44' ' ' LEU . 9.0 pt-20 -68.79 119.5 13.26 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.698 -1.201 . . . . 0.0 108.462 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.49 144.08 56.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -89.69 135.3 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.094 -1.004 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -108.61 -24.66 11.26 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.371 -0.831 . . . . 0.0 109.775 -178.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -124.09 149.79 45.77 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.835 0.826 . . . . 0.0 111.06 -178.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 14.0 mm100 -69.99 -21.7 63.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.181 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.42 -40.06 89.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 111.038 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.06 -40.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.887 -1.133 . . . . 0.0 108.518 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.64 -32.79 58.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.25 -34.24 72.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.819 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.04 -40.0 75.41 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.17 -34.33 69.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.443 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -60.58 -39.97 89.98 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.105 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -53.84 -38.89 65.12 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.167 -1.583 . . . . 0.0 107.471 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 m -80.01 -45.95 17.48 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.884 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 21.6 mt -90.06 -15.78 31.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.816 -1.177 . . . . 0.0 110.819 -178.246 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.4 t0 -81.42 62.03 5.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -38.71 83.22 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.76 -13.18 60.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.85 30.7 73.6 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.205 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' NZ ' ' A' ' 26' ' ' LYS . 34.6 p-10 -107.6 7.69 28.78 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.097 -1.237 . . . . 0.0 109.73 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 7.49 88.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.0 mt-10 -139.95 131.85 27.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.38 46.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.144 -0.973 . . . . 0.0 108.914 -179.612 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 54.8 t0 -61.89 157.94 17.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.101 -0.999 . . . . 0.0 109.063 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.3 t80 -46.82 -38.95 11.01 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.306 -0.872 . . . . 0.0 108.816 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.2 -37.04 77.91 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.408 -0.807 . . . . 0.0 110.029 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 42.9 mt-10 -61.71 -42.91 99.58 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.728 -1.232 . . . . 0.0 109.994 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -63.39 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.083 . . . . 0.0 109.006 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 89.3 mtp -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.666 -0.646 . . . . 0.0 110.519 -178.286 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.79 73.01 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.69 -1.256 . . . . 0.0 110.167 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.709 ' CE2' HG21 ' A' ' 80' ' ' VAL . 67.7 t80 -59.96 -32.31 70.69 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.236 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 77' ' ' VAL . 10.8 t -61.28 -40.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 t -66.07 -39.99 90.5 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.501 -0.749 . . . . 0.0 110.171 -178.486 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtp -68.56 -43.05 77.42 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.183 -0.948 . . . . 0.0 112.084 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.709 HG21 ' CE2' ' A' ' 76' ' ' PHE . 14.4 t -77.31 -30.6 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.769 -1.207 . . . . 0.0 109.985 -178.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.6 m -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.9 m -60.01 -39.72 86.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.272 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.85 86.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.383 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.02 -34.94 74.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.379 -0.825 . . . . 0.0 109.511 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.19 -39.2 81.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.974 . . . . 0.0 108.752 -179.568 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.93 -40.04 87.58 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.3 -23.27 23.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.156 -0.965 . . . . 0.0 110.374 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.014 -1.054 . . . . 0.0 109.077 -179.404 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.483 ' C ' ' H ' ' B' ' 2' ' ' GLU . 53.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.48 ' C ' ' H ' ' B' ' 3' ' ' LEU . 62.9 m 52.16 8.42 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.338 -0.851 . . . . 0.0 109.914 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 0' ' ' MET . 18.5 pt-20 -75.87 22.37 0.15 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 108.97 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.667 HD13 ' O ' ' B' ' 3' ' ' LEU . 2.3 tm? -59.95 -37.9 80.89 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -61.25 -39.53 90.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.462 -0.774 . . . . 0.0 109.88 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.54 -40.0 93.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.037 -1.04 . . . . 0.0 108.533 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.97 91.99 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.566 -0.709 . . . . 0.0 109.48 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.6 mtt -62.26 -39.94 94.54 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.56 -37.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.72 -0.613 . . . . 0.0 110.046 -179.14 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.49 81.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -0.835 . . . . 0.0 111.508 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.841 -1.162 . . . . 0.0 108.448 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.69 -39.94 80.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.691 -0.631 . . . . 0.0 110.997 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.79 -45.36 90.05 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.617 -1.302 . . . . 0.0 111.78 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -40.04 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.114 -0.992 . . . . 0.0 110.72 -178.458 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.672 ' CE1' HD23 ' B' ' 27' ' ' LEU . 87.5 t80 -59.94 -39.78 86.73 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 109.068 -179.171 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -65.57 -27.17 68.24 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.157 -0.964 . . . . 0.0 110.108 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -41.87 92.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.993 -1.067 . . . . 0.0 110.583 -178.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -96.71 -34.01 11.52 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.781 -1.199 . . . . 0.0 112.484 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -64.19 -40.05 95.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.837 -1.164 . . . . 0.0 111.038 -178.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -9.84 86.66 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.357 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -1.191 . . . . 0.0 109.521 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 79.5 tt0 -94.56 -3.12 50.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.473 -0.767 . . . . 0.0 109.005 -179.689 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.77 -6.74 79.74 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 26' ' ' LYS . 91.5 m-20 -82.46 69.7 9.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.888 -1.36 . . . . 0.0 108.466 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -69.95 -42.41 73.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.305 -0.872 . . . . 0.0 110.868 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' B' ' 25' ' ' HIS . 19.9 p80 -78.92 -13.84 59.57 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.111 -0.993 . . . . 0.0 111.304 -178.213 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' B' ' 23' ' ' ASP . 45.9 tttt -141.63 160.0 41.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.805 -1.184 . . . . 0.0 109.441 -179.338 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -120.07 129.8 54.38 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -178.694 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.6 ' N ' HD13 ' B' ' 27' ' ' LEU . 35.2 ttpt -103.0 140.55 37.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.939 -1.101 . . . . 0.0 109.498 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -39.01 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.499 0.666 . . . . 0.0 109.84 -179.897 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.8 m -72.98 -54.16 9.32 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.575 -178.25 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' B' ' 21' ' ' GLU . 61.3 mt-10 -67.67 -28.46 67.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.974 -1.079 . . . . 0.0 108.105 179.103 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.99 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.536 -0.727 . . . . 0.0 109.593 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.411 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 64.5 tttm -61.23 -39.99 92.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.224 -0.923 . . . . 0.0 110.762 -178.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.48 -36.35 83.45 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.115 -0.99 . . . . 0.0 109.239 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.97 -50.01 65.84 Favored 'General case' 0 C--N 1.289 -2.038 0 O-C-N 121.117 -0.989 . . . . 0.0 108.846 178.647 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.41 -49.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 111.348 -178.05 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.72 -38.89 67.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.968 -1.082 . . . . 0.0 112.343 -177.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.26 -36.85 9.89 Favored 'General case' 0 N--CA 1.506 2.333 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.886 ' O ' HD23 ' B' ' 40' ' ' LEU . 24.0 tt0 -82.45 -13.48 56.69 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.241 -1.537 . . . . 0.0 110.029 -177.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.886 HD23 ' O ' ' B' ' 39' ' ' GLU . 5.3 mt -143.05 45.1 1.57 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.156 -0.965 . . . . 0.0 109.046 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.7 t -60.06 -49.89 75.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.168 -0.958 . . . . 0.0 110.403 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -100.18 -12.3 19.71 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.164 -0.96 . . . . 0.0 110.472 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -87.16 -10.07 53.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.0 -1.062 . . . . 0.0 109.45 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.602 HD11 HG11 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -153.04 170.45 20.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.419 ' H ' HD23 ' B' ' 44' ' ' LEU . 9.1 pt-20 -68.95 119.57 13.47 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.779 -1.201 . . . . 0.0 108.434 179.358 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 144.29 56.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -89.91 135.31 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.13 -0.981 . . . . 0.0 108.914 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -108.52 -24.73 11.27 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.395 -0.815 . . . . 0.0 109.917 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.17 149.92 45.77 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.763 0.792 . . . . 0.0 110.94 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.9 mm100 -69.98 -21.77 63.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.132 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.41 -39.94 89.18 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.478 -0.764 . . . . 0.0 111.048 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.01 -40.04 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.904 -1.123 . . . . 0.0 108.5 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.8 -32.66 57.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 122.001 -0.437 . . . . 0.0 109.884 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.33 -34.22 72.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.367 -0.833 . . . . 0.0 109.688 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -69.97 -39.99 75.64 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.47 -33.95 67.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.539 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -60.78 -40.05 91.12 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.026 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -53.73 -38.87 64.77 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.178 -1.576 . . . . 0.0 107.503 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -79.98 -46.12 17.23 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.863 -179.442 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 22.0 mt -89.88 -15.63 31.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.835 -1.166 . . . . 0.0 110.916 -178.282 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.6 t0 -81.51 61.57 5.0 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.674 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.71 -38.51 81.8 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -73.75 -13.44 60.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.33 30.1 73.22 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 26' ' ' LYS . 34.8 p-10 -107.47 7.92 29.17 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.13 -1.218 . . . . 0.0 109.883 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.96 7.39 88.55 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.446 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.0 mt-10 -139.92 131.91 27.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.24 46.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.204 -0.935 . . . . 0.0 108.904 -179.528 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 55.2 t0 -61.81 158.1 16.62 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.995 -1.066 . . . . 0.0 109.085 -179.261 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.3 t80 -46.89 -38.9 11.16 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 108.938 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 110.015 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 42.9 mt-10 -61.56 -42.8 99.37 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.718 -1.239 . . . . 0.0 110.011 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.54 -38.35 90.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.999 -1.063 . . . . 0.0 108.936 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 89.2 mtp -59.96 -38.85 83.69 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.568 -0.708 . . . . 0.0 110.505 -178.352 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.87 73.1 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.741 -1.224 . . . . 0.0 110.13 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.7 ' CE2' HG21 ' B' ' 80' ' ' VAL . 70.1 t80 -59.94 -32.37 70.72 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.264 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.36 -40.08 84.96 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.409 0.624 . . . . 0.0 110.066 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.0 t -65.96 -40.0 90.91 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.492 -0.755 . . . . 0.0 110.193 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtp -68.72 -43.17 76.54 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 112.064 -177.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.7 HG21 ' CE2' ' B' ' 76' ' ' PHE . 14.4 t -77.46 -30.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -178.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -60.31 -40.04 89.16 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.5 m -59.98 -39.54 86.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.99 87.21 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 88' ' ' PHE . 18.0 m -59.99 -34.93 73.98 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.804 . . . . 0.0 109.5 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.078 -1.014 . . . . 0.0 108.834 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.342 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -88.25 -23.33 23.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.192 -0.943 . . . . 0.0 110.387 -179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 84' ' ' CYS . 5.3 m-85 . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.086 -1.009 . . . . 0.0 109.02 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.457 ' O ' ' SD ' ' X' ' 109' ' ' MET . 75.7 t60 -59.98 -39.94 87.41 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.556 -0.715 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.03 -31.04 69.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.259 -0.901 . . . . 0.0 108.793 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.494 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 48.9 tttm -59.67 -37.62 79.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.711 -1.243 . . . . 0.0 107.683 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.98 -27.41 66.56 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.716 -0.615 . . . . 0.0 110.056 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -62.49 -24.72 67.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.649 -1.282 . . . . 0.0 109.998 179.706 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.645 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.7 -36.94 26.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.696 -1.253 . . . . 0.0 109.471 -179.198 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.645 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -72.32 -39.04 68.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.166 -0.959 . . . . 0.0 109.505 179.227 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -58.92 -27.47 65.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.007 -1.058 . . . . 0.0 108.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.586 -0.696 . . . . 0.0 . 179.466 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.467 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 77.1 t60 -59.97 -40.02 87.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 109.359 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.77 -31.3 69.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 108.742 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 53.0 tttm -59.44 -37.96 79.45 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.209 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.8 -27.41 66.72 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.721 -0.612 . . . . 0.0 110.0 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.57 -24.76 67.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.67 -1.269 . . . . 0.0 109.976 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.71 -36.88 26.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.492 -179.202 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -72.54 -38.15 68.07 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 179.284 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 77.1 p -59.99 -27.38 66.8 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.474 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.546 -0.721 . . . . 0.0 . 179.397 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 60.58 18.07 8.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.45 -0.781 . . . . 0.0 109.195 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.27 14.03 0.49 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 1' ' ' SER . 53.9 tp -59.93 -37.28 79.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.586 -0.696 . . . . 0.0 110.906 -178.817 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.09 86.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.3 mppt? -69.95 -37.45 75.83 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.55 85.16 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.723 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.1 mtt -62.91 -39.89 95.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.02 -39.9 86.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.66 93.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.948 -0.47 . . . . 0.0 111.319 -178.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.32 -40.03 85.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.661 -1.274 . . . . 0.0 108.127 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.89 -38.78 79.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.739 -0.6 . . . . 0.0 110.694 -179.474 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.1 -45.6 92.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.856 -1.152 . . . . 0.0 111.293 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -39.71 77.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 121.77 0.795 . . . . 0.0 110.256 -177.735 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.62 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 58.5 t80 -59.54 -39.9 85.45 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.54 -25.15 67.32 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.278 -0.889 . . . . 0.0 110.417 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.22 -42.96 99.78 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.607 -1.308 . . . . 0.0 109.73 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -89.68 -41.7 11.78 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.809 -1.182 . . . . 0.0 112.166 -179.164 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -62.52 -41.77 99.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.986 -1.071 . . . . 0.0 111.065 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -7.18 88.75 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' NH1' ' CD ' ' A' ' 34' ' ' GLU . 43.2 ttm180 -60.13 -47.05 87.55 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.199 -1.177 . . . . 0.0 109.449 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.02 174.8 5.9 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.586 0.708 . . . . 0.0 110.059 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -49.33 -26.93 7.26 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.633 -0.667 . . . . 0.0 111.867 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.4 m-20 -68.01 48.33 0.05 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.551 -1.558 . . . . 0.0 109.492 -179.285 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' GLY . 9.9 ttmm -63.81 -40.91 97.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.11 -0.993 . . . . 0.0 111.101 -179.269 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -91.35 2.91 56.05 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.989 -1.069 . . . . 0.0 111.089 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 37.4 pttt -148.62 160.21 43.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.85 -1.156 . . . . 0.0 109.78 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -109.29 122.74 48.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.2 tttp -102.23 144.16 31.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.61 -1.306 . . . . 0.0 110.153 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HZ2' ' HB ' ' A' ' 53' ' ' VAL . 53.3 tttp -39.29 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.451 0.644 . . . . 0.0 109.38 178.571 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.5 m -77.94 -49.96 13.12 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HB2' HD13 ' A' ' 27' ' ' LEU . 58.0 mt-10 -64.03 -34.69 78.59 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.663 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.86 -44.69 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.709 -0.619 . . . . 0.0 109.514 -179.261 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -66.05 -39.56 90.23 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.245 -0.909 . . . . 0.0 111.518 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.501 ' CD ' ' NH1' ' A' ' 20' ' ' ARG . 20.9 tt0 -69.04 -31.77 70.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.817 -1.177 . . . . 0.0 109.398 -177.17 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.722 ' C ' HD23 ' A' ' 35' ' ' LEU . 6.1 tt -68.51 -51.6 41.3 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.14 -0.975 . . . . 0.0 108.388 178.083 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.84 -46.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 O-C-N 121.511 -0.743 . . . . 0.0 111.198 -178.081 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.1 -40.15 75.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.952 -1.093 . . . . 0.0 112.121 -178.078 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -98.25 -36.88 9.88 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.761 ' O ' HD23 ' A' ' 40' ' ' LEU . 22.2 tt0 -81.32 -12.13 59.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.335 -1.478 . . . . 0.0 109.653 -178.028 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.5 mt -139.0 56.01 1.7 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.337 -0.852 . . . . 0.0 108.788 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 m -60.13 -40.14 88.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -0.818 . . . . 0.0 110.58 -179.417 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -125.22 -20.71 4.78 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.419 -0.8 . . . . 0.0 110.745 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -66.77 -38.44 86.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.786 -1.196 . . . . 0.0 109.508 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.9 tp -126.32 158.17 36.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.47 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -53.07 109.22 0.4 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.034 -1.041 . . . . 0.0 109.03 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.85 140.77 56.37 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -102.21 131.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.267 -0.896 . . . . 0.0 109.482 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -109.42 -20.76 12.79 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.425 -0.797 . . . . 0.0 110.556 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 57.4 mp0 -110.83 143.27 41.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.052 -1.03 . . . . 0.0 110.612 -178.733 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.417 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 5.8 mm100 -69.88 -20.05 63.4 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.583 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.85 -38.93 92.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -0.893 . . . . 0.0 111.064 -178.083 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.87 -38.52 82.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 109.055 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' HB ' ' HZ2' ' A' ' 29' ' ' LYS . 47.0 t -69.41 -34.6 63.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.704 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . 46.2 t0 -66.59 -38.26 86.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.274 -0.891 . . . . 0.0 109.459 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 79.9 tttt -67.6 -39.94 84.76 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.65 -33.84 65.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.8 mmm -68.93 -31.5 70.43 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.82 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -55.37 -36.67 66.6 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 119.87 -1.769 . . . . 0.0 106.697 178.287 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.2 m -79.76 -46.5 16.9 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.4 mt -87.28 -14.83 39.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.832 -1.167 . . . . 0.0 110.695 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.5 t0 -80.79 58.36 3.31 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.362 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.514 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 74.6 mt-10 -58.05 -39.53 78.69 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.097 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.38 -16.56 62.98 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 28.6 73.07 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 47.1 p-10 -107.87 10.14 28.65 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.305 -1.115 . . . . 0.0 110.185 -179.691 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.528 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 75.22 6.55 80.2 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 84.9 mt-10 -134.32 133.05 40.27 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.58 124.9 48.98 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 42.0 t0 -62.91 161.66 12.5 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.429 -179.484 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.7 p90 -54.32 -31.32 53.96 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -62.3 -45.52 92.87 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.756 0.788 . . . . 0.0 109.037 177.242 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 36.9 mt-10 -64.73 -40.12 94.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.326 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.02 -28.71 67.65 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.003 -1.06 . . . . 0.0 109.153 179.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -38.56 82.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.36 -0.837 . . . . 0.0 109.482 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -68.94 -33.61 74.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.964 -1.085 . . . . 0.0 110.433 -178.516 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' HG21 ' A' ' 80' ' ' VAL . 90.6 t80 -59.9 -40.05 87.47 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.02 -1.05 . . . . 0.0 109.709 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -60.54 -37.81 76.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.754 -0.591 . . . . 0.0 110.43 -179.067 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 22.7 p -64.11 -40.05 95.38 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.232 -178.541 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mtm -71.45 -44.09 65.46 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.364 -178.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 76' ' ' PHE . 46.2 t -62.62 -36.85 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.65 -1.281 . . . . 0.0 110.37 -178.708 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.4 m -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -52.2 -40.75 61.98 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.288 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.0 84.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -0.936 . . . . 0.0 108.925 178.605 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 m -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.78 . . . . 0.0 109.4 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -59.82 -40.12 87.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.133 -0.979 . . . . 0.0 109.21 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.08 -39.9 87.69 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.2 -37.98 27.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.584 -0.698 . . . . 0.0 109.765 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.301 -1.519 0 O-C-N 121.535 -0.728 . . . . 0.0 109.253 -179.118 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.474 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 59.98 18.62 7.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.17 -0.956 . . . . 0.0 109.215 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -74.88 14.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' B' ' 1' ' ' SER . 51.8 tp -59.92 -37.61 79.97 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.58 -0.7 . . . . 0.0 110.78 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -39.72 86.78 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.942 -1.099 . . . . 0.0 110.561 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.496 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.4 mppt? -69.85 -36.9 75.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.139 -0.976 . . . . 0.0 109.857 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.08 81.61 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.215 -0.928 . . . . 0.0 110.741 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.3 mtt -63.07 -39.99 96.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.831 -1.168 . . . . 0.0 108.767 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.51 -39.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.89 92.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.761 -0.587 . . . . 0.0 111.373 -178.701 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.79 -39.92 86.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.65 -1.281 . . . . 0.0 108.116 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.81 -39.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.793 -0.567 . . . . 0.0 110.453 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.7 -46.54 90.01 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.921 -1.112 . . . . 0.0 111.47 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -39.2 77.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 CA-C-O 121.796 0.807 . . . . 0.0 110.534 -177.624 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.609 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 56.7 t80 -59.86 -39.9 86.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.306 -0.871 . . . . 0.0 108.993 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.59 -25.19 67.29 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -62.41 -42.52 99.5 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.597 -1.314 . . . . 0.0 109.797 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -89.83 -42.3 11.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.706 -1.246 . . . . 0.0 112.09 -179.319 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -61.67 -42.59 99.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.014 -1.054 . . . . 0.0 111.071 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.87 -6.73 88.98 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.504 ' NH1' ' CD ' ' B' ' 34' ' ' GLU . 43.1 ttm180 -60.02 -47.22 86.74 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.222 -1.164 . . . . 0.0 109.407 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.95 174.69 5.96 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 121.624 0.726 . . . . 0.0 110.082 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.24 -26.89 6.96 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.613 -0.679 . . . . 0.0 111.776 -178.632 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' B' ' 26' ' ' LYS . 95.9 m-20 -67.75 46.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.61 -1.524 . . . . 0.0 109.469 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 22' ' ' GLY . 13.2 ttmm -62.93 -41.03 99.34 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.083 -1.01 . . . . 0.0 111.083 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -90.64 1.89 56.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.235 -178.126 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.4 pttt -147.82 160.3 42.91 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.877 -1.139 . . . . 0.0 109.987 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.609 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -109.31 122.81 48.16 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' B' ' 30' ' ' SER . 59.1 tttp -102.69 144.1 31.5 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.547 -1.346 . . . . 0.0 110.116 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' B' ' 50' ' ' GLN . 53.2 tttp -39.1 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.424 0.63 . . . . 0.0 109.359 178.671 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.552 ' N ' ' O ' ' B' ' 28' ' ' LYS . 57.8 m -77.81 -49.11 14.98 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 28' ' ' LYS . 56.4 mt-10 -64.31 -35.36 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.553 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.96 -44.59 94.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.735 -0.603 . . . . 0.0 109.412 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -65.87 -39.88 91.12 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.202 -0.936 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.504 ' CD ' ' NH1' ' B' ' 20' ' ' ARG . 17.5 tt0 -68.71 -31.84 71.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.887 -1.133 . . . . 0.0 109.413 -177.128 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.691 ' C ' HD23 ' B' ' 35' ' ' LEU . 6.9 tt -68.42 -51.72 40.72 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.232 -0.918 . . . . 0.0 108.603 178.3 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -68.07 -45.98 82.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 111.023 -177.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -69.99 -40.14 75.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.955 -1.091 . . . . 0.0 112.1 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -98.65 -36.39 9.88 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.017 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.683 ' O ' HD23 ' B' ' 40' ' ' LEU . 23.9 tt0 -81.27 -12.48 59.08 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.217 -1.552 . . . . 0.0 109.535 -178.196 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.683 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.3 mt -138.57 56.13 1.72 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.6 m -60.16 -40.0 88.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 110.641 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -125.6 -20.05 4.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.437 -0.79 . . . . 0.0 110.755 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.1 -38.47 85.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.81 -1.181 . . . . 0.0 109.442 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 49.1 tp -126.35 158.14 36.64 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.596 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -53.08 109.34 0.41 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.128 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.92 140.74 56.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.6 mt -102.13 131.01 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.296 -0.877 . . . . 0.0 109.583 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -108.71 -20.87 12.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.457 -0.777 . . . . 0.0 110.548 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.3 mp0 -111.24 143.27 42.27 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.124 -0.985 . . . . 0.0 110.781 -178.664 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.451 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . 5.1 mm100 -69.9 -20.09 63.38 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.12 -38.45 90.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 0.0 111.052 -178.243 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.2 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 109.009 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' HZ2' ' B' ' 29' ' ' LYS . 45.5 t -69.07 -35.27 67.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.432 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' HZ3' ' B' ' 29' ' ' LYS . 46.4 t0 -66.21 -38.34 87.72 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.655 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 82.1 tttt -67.57 -40.01 84.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -179.841 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.53 -33.31 62.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.615 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.554 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.9 mmm -69.46 -31.07 69.13 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.93 -179.595 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -55.88 -36.3 67.46 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 119.985 -1.697 . . . . 0.0 106.518 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -79.83 -46.35 17.05 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.3 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.3 mt -87.73 -14.99 38.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.849 -1.157 . . . . 0.0 110.793 -178.508 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.45 58.43 3.16 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.51 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 73.8 mt-10 -58.17 -39.24 78.38 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.57 -15.7 62.79 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 28.51 73.28 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.4 p-10 -108.1 10.2 28.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.207 -1.172 . . . . 0.0 110.022 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.496 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.68 6.66 78.05 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.638 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 86.2 mt-10 -134.09 132.99 40.6 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.36 124.35 47.78 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.058 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.5 t0 -61.95 162.05 9.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.121 -0.987 . . . . 0.0 108.459 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 p90 -55.33 -30.46 60.28 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -62.76 -45.74 91.27 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.731 0.777 . . . . 0.0 108.921 177.346 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.51 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 36.4 mt-10 -64.46 -40.12 95.1 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.18 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -67.43 -29.17 68.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.878 -1.139 . . . . 0.0 109.355 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -38.82 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.567 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.407 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.42 -33.39 74.13 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.25 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' B' ' 80' ' ' VAL . 90.4 t80 -60.04 -40.0 87.87 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.0 -1.063 . . . . 0.0 109.732 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -37.32 75.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.799 -0.563 . . . . 0.0 110.406 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 19.2 p -64.86 -40.23 94.81 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.066 -1.021 . . . . 0.0 110.008 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.72 -45.04 65.62 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.079 -1.048 . . . . 0.0 111.292 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' B' ' 76' ' ' PHE . 42.3 t -61.88 -36.96 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.455 -1.403 . . . . 0.0 110.476 -178.741 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -39.92 87.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 108.209 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -40.6 62.68 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.32 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.39 84.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 108.828 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.97 -39.05 84.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 0.0 109.473 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.82 -40.19 87.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.073 -1.017 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.61 86.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -81.42 -38.38 26.6 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.578 0.704 . . . . 0.0 109.785 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.301 -1.53 0 O-C-N 121.62 -0.675 . . . . 0.0 109.255 -179.005 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.334 0.588 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.552 ' NE2' ' NZ ' ' A' ' 55' ' ' LYS . 19.3 p-80 -58.02 -39.66 78.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.914 -1.117 . . . . 0.0 109.187 -179.681 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 15.7 ttmt -58.64 -32.33 68.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.29 -0.881 . . . . 0.0 109.96 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -59.84 -48.32 82.16 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.153 -0.967 . . . . 0.0 109.361 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.429 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 12.9 tp -70.0 -26.24 63.98 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.927 -1.108 . . . . 0.0 110.454 -179.659 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -58.38 -24.28 59.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.593 -1.317 . . . . 0.0 109.841 -179.725 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' X' ' 109' ' ' MET . 0.3 OUTLIER -40.25 -35.53 0.42 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.326 -0.859 . . . . 0.0 109.519 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.441 ' CG ' ' CZ ' ' X' ' 110' ' ' PHE . 8.6 mtmm -80.35 -37.34 32.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.239 -0.913 . . . . 0.0 109.427 177.409 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.516 ' N ' ' O ' ' X' ' 109' ' ' MET . 67.8 p -59.72 -30.86 69.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.808 -0.557 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.235 0.54 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.655 ' NE2' ' NZ ' ' B' ' 55' ' ' LYS . 20.4 p-80 -58.16 -39.57 79.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.951 -1.093 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 15.8 ttmt -58.53 -32.25 68.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.0 109.893 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -59.59 -48.71 80.59 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.342 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.452 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 12.3 tp -70.02 -25.65 63.68 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.993 -1.067 . . . . 0.0 110.396 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -24.31 62.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.475 -1.39 . . . . 0.0 109.857 -179.778 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' Y' ' 109' ' ' MET . 0.4 OUTLIER -39.91 -35.48 0.36 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.338 -0.851 . . . . 0.0 109.56 -179.386 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.454 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 9.0 mtmm -80.44 -37.43 32.01 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.266 -0.896 . . . . 0.0 109.532 177.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.512 ' N ' ' O ' ' Y' ' 109' ' ' MET . 72.1 p -60.11 -30.24 69.13 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.703 -0.623 . . . . 0.0 . 178.585 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.407 ' C ' ' N ' ' A' ' 2' ' ' GLU . 27.6 ttt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 50.8 14.67 0.19 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 109.647 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 0' ' ' MET . 97.8 mt-10 -75.93 17.41 0.33 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.141 -0.974 . . . . 0.0 108.879 178.798 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -65.41 -29.42 70.12 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.683 -179.049 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -72.68 -36.41 67.88 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.028 -1.045 . . . . 0.0 110.063 -179.521 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -34.01 67.29 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.202 -0.936 . . . . 0.0 108.648 -179.122 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.26 71.66 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.9 -0.5 . . . . 0.0 111.275 -178.468 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.7 mtt -62.93 -39.91 96.02 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.898 -1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.17 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-O 121.381 0.61 . . . . 0.0 109.719 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.66 87.22 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.67 -0.644 . . . . 0.0 111.648 -178.496 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.95 -40.1 87.83 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.569 -1.332 . . . . 0.0 108.193 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.8 -37.65 78.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 O-C-N 121.848 -0.532 . . . . 0.0 110.354 179.556 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.05 -47.86 84.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.986 -1.071 . . . . 0.0 111.628 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -40.11 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.909 -1.119 . . . . 0.0 110.5 -178.245 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.442 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 71.5 t80 -58.36 -36.57 73.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 108.91 -179.49 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -69.79 -27.19 64.7 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.455 -0.778 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -60.31 -42.2 95.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.636 -1.29 . . . . 0.0 110.281 -179.056 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.98 -37.88 11.97 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.696 -1.253 . . . . 0.0 112.104 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.442 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 57.9 m -60.03 -40.0 87.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.981 -1.075 . . . . 0.0 110.303 -178.78 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.22 -8.09 88.04 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.04 -47.11 87.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.964 -1.315 . . . . 0.0 109.06 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 97.9 mt-10 -114.97 159.84 20.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.39 -15.09 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.5 57.92 0.74 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.726 -1.455 . . . . 0.0 109.807 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -68.55 -46.09 70.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.954 -1.091 . . . . 0.0 109.498 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.23 -19.98 49.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.565 -0.709 . . . . 0.0 111.432 -178.459 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.5 pttp -134.6 159.23 41.85 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.971 -1.081 . . . . 0.0 109.274 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.7 tp -120.06 130.83 54.87 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.358 -0.839 . . . . 0.0 108.756 -178.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 48.3 mtmt -94.08 153.49 18.11 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.697 -1.252 . . . . 0.0 110.032 -179.53 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -49.95 -22.9 1.71 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 47.3 t -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 41.0 mt-10 -60.21 -37.92 81.78 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.136 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.99 -41.7 92.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.913 -0.492 . . . . 0.0 109.756 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.87 -39.91 90.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.048 -1.033 . . . . 0.0 110.49 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.3 mp0 -65.53 -37.02 85.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.071 -1.018 . . . . 0.0 109.039 -179.042 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.53 -50.9 65.51 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.005 -1.059 . . . . 0.0 109.686 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' A' ' 47' ' ' ILE . 95.3 mt -69.97 -43.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.511 -0.743 . . . . 0.0 111.998 -177.74 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 5.0 m120 -69.78 -39.96 76.33 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.329 -178.075 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -100.35 -35.95 9.42 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.288 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.578 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.5 tp10 -83.12 -10.81 58.47 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.092 -1.63 . . . . 0.0 110.224 -177.468 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 39' ' ' GLU . 8.4 mt -137.19 43.23 2.36 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.249 -0.907 . . . . 0.0 108.637 179.177 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -60.0 -40.94 90.94 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 111.749 -178.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -120.12 -22.17 6.75 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.124 -0.985 . . . . 0.0 110.455 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -68.24 -37.84 81.21 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 tp -131.89 160.16 36.53 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 7.2 pt-20 -52.63 110.63 0.53 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.995 -1.066 . . . . 0.0 108.956 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.75 135.15 57.49 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.413 -0.804 . . . . 0.0 108.907 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.544 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 69.1 mt -80.52 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.706 -1.247 . . . . 0.0 107.658 178.778 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.88 -23.5 10.96 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.057 -177.018 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -123.66 141.87 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.955 0.883 . . . . 0.0 111.242 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -60.48 -29.19 68.91 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -39.96 88.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.376 -0.828 . . . . 0.0 110.735 -178.865 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.75 -39.84 83.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 120.641 -1.287 . . . . 0.0 108.33 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.01 -38.18 80.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 47.1 t0 -65.05 -36.97 86.04 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.467 0.651 . . . . 0.0 109.862 -179.201 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -67.57 -40.0 84.89 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -66.66 -34.19 68.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.618 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.9 mmm -70.57 -24.13 62.72 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -39.99 87.43 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 178.273 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.8 m -82.57 -36.86 25.84 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.417 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 76' ' ' PHE . 1.6 mp -87.76 -18.8 28.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 110.694 -178.09 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -80.17 60.32 3.63 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.631 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 76.1 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.154 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.22 -12.69 60.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.79 29.16 72.65 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.5 p-10 -106.96 1.36 24.43 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.184 -1.186 . . . . 0.0 110.21 -179.431 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.611 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.0 5.55 89.52 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.256 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 68.7 mt-10 -134.67 136.92 43.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.716 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.39 129.23 50.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.923 -1.111 . . . . 0.0 108.522 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.3 t70 -73.7 170.1 15.95 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.643 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 11.1 t80 -50.98 -39.99 56.74 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -60.77 -49.94 75.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 0.0 110.094 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 41.7 mt-10 -61.45 -40.09 93.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.041 . . . . 0.0 110.43 -178.727 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.22 -35.41 80.98 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.527 ' SD ' ' O ' ' A' ' 74' ' ' MET . 4.7 tpp -59.81 -38.69 82.67 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.296 -178.77 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.47 68.05 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.484 -1.385 . . . . 0.0 110.809 -178.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 60' ' ' LEU . 39.6 t80 -67.51 -26.03 66.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.996 -1.065 . . . . 0.0 110.574 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -31.89 17.95 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.293 -0.88 . . . . 0.0 108.664 -179.413 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.572 ' HG ' ' CB ' ' B' ' 78' ' ' SER . 0.9 OUTLIER -68.88 -44.84 72.42 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.806 -0.559 . . . . 0.0 110.473 -178.847 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -42.19 73.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.533 -1.355 . . . . 0.0 111.344 -178.711 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.07 -35.11 74.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.861 -1.149 . . . . 0.0 109.283 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.89 -40.01 87.32 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.997 0.904 . . . . 0.0 108.669 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.11 -39.09 68.98 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.03 78.64 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.033 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.7 t -59.11 -35.81 74.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.586 -0.696 . . . . 0.0 109.449 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.83 -40.01 87.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.931 -1.106 . . . . 0.0 108.98 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.68 -39.91 95.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.679 179.19 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -84.03 -39.1 20.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.485 -0.759 . . . . 0.0 109.103 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' CYS . 3.0 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.422 ' C ' ' N ' ' B' ' 2' ' ' GLU . 28.3 ttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 50.99 14.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -0.934 . . . . 0.0 109.701 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' B' ' 0' ' ' MET . 98.2 mt-10 -75.46 17.24 0.29 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.937 . . . . 0.0 108.859 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -64.86 -29.84 70.82 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 -179.195 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.25 -36.42 69.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.016 -1.052 . . . . 0.0 110.116 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -33.86 67.18 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.25 -0.907 . . . . 0.0 108.736 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.12 -43.24 71.41 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.885 -0.509 . . . . 0.0 111.235 -178.402 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.005 -1.059 . . . . 0.0 109.541 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.26 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.36 0.6 . . . . 0.0 109.58 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.71 87.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.683 . . . . 0.0 111.646 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.89 -40.03 87.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.49 -1.381 . . . . 0.0 108.235 -179.05 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.69 -37.88 79.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.84 -0.538 . . . . 0.0 110.411 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.04 -47.78 84.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.01 -1.056 . . . . 0.0 111.624 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.97 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.931 -1.106 . . . . 0.0 110.592 -178.29 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 71.1 t80 -58.45 -36.49 73.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.048 -1.033 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.9 -27.31 64.69 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.45 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -60.08 -42.42 94.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.643 -1.286 . . . . 0.0 110.244 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.71 -37.8 12.17 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 120.749 -1.22 . . . . 0.0 112.182 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.457 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 57.1 m -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 110.25 -178.712 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -8.01 88.08 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.95 -47.36 86.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.962 -1.316 . . . . 0.0 109.019 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -114.88 160.09 19.9 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.563 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.27 -15.27 0.04 OUTLIER Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.3 m-20 -74.7 58.06 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.635 -1.509 . . . . 0.0 109.825 -179.233 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -68.75 -46.22 69.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.885 -1.134 . . . . 0.0 109.484 179.641 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -78.97 -19.98 50.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 111.412 -178.528 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.4 pttp -134.52 159.19 41.91 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.89 -1.131 . . . . 0.0 109.229 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -120.06 130.69 54.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 49.4 mtmt -93.67 153.34 18.42 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.645 -1.284 . . . . 0.0 110.203 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -49.95 -22.54 1.58 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.517 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 47.6 t -74.79 -54.05 8.04 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 41.1 mt-10 -60.13 -37.84 81.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.837 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.766 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.96 -40.05 91.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.192 -0.942 . . . . 0.0 110.404 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.3 mp0 -65.22 -36.85 85.43 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.12 -0.988 . . . . 0.0 109.151 -179.14 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.8 -50.66 65.87 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.893 -1.129 . . . . 0.0 109.836 179.069 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.07 -43.37 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.556 -0.715 . . . . 0.0 111.863 -177.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 5.0 m120 -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.466 -178.064 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -100.47 -35.57 9.51 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.302 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.606 ' O ' HD23 ' B' ' 40' ' ' LEU . 10.8 tp10 -83.22 -10.62 58.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.178 -1.576 . . . . 0.0 110.175 -177.527 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.606 HD23 ' O ' ' B' ' 39' ' ' GLU . 8.3 mt -137.72 43.42 2.26 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.197 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -60.11 -41.01 91.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 111.616 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -119.96 -22.3 6.79 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.091 -1.006 . . . . 0.0 110.48 -179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -67.83 -38.16 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.076 -1.015 . . . . 0.0 109.49 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -131.71 160.17 36.27 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 7.1 pt-20 -52.54 110.29 0.49 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.994 -1.067 . . . . 0.0 108.864 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -61.61 135.08 57.51 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 108.962 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.549 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 60.2 mt -80.5 139.64 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.652 -1.28 . . . . 0.0 107.805 178.862 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.438 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.61 -23.51 11.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.569 -0.707 . . . . 0.0 111.111 -176.949 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.74 141.64 51.84 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.995 0.902 . . . . 0.0 111.162 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.39 -29.24 68.83 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -39.84 87.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.287 -0.883 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -60.66 -40.04 83.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.719 -1.238 . . . . 0.0 108.361 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.09 -38.03 79.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 46.7 t0 -65.14 -36.57 84.68 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.545 0.688 . . . . 0.0 109.924 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.8 -40.02 83.95 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.74 -34.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.626 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.8 mmm -70.79 -24.17 62.53 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.435 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -40.03 87.46 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.0 m -82.56 -36.93 25.83 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.307 178.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' B' ' 76' ' ' PHE . 1.6 mp -87.79 -18.45 29.34 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.262 -0.899 . . . . 0.0 110.761 -178.079 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.626 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -80.41 60.35 3.79 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 77.3 mt-10 -60.0 -39.9 87.35 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.001 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.58 -12.4 60.75 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.425 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.56 29.28 72.88 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.5 p-10 -107.09 1.39 24.18 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.22 -1.165 . . . . 0.0 110.232 -179.463 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.604 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.05 5.32 89.64 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -179.345 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.0 mt-10 -134.49 136.94 43.51 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.53 128.87 50.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.877 -1.139 . . . . 0.0 108.466 179.713 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.4 t70 -73.42 169.77 16.48 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.386 -0.821 . . . . 0.0 109.742 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.8 t80 -50.6 -40.08 51.68 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -60.71 -49.93 75.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 0.0 110.122 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 40.3 mt-10 -61.38 -39.98 92.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.046 -1.034 . . . . 0.0 110.529 -178.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -65.59 -35.21 80.16 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 109.377 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.527 ' SD ' ' O ' ' B' ' 74' ' ' MET . 4.6 tpp -60.02 -38.51 82.9 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.264 -178.716 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.31 67.7 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.518 -1.364 . . . . 0.0 110.818 -178.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.551 ' HB2' HD21 ' B' ' 60' ' ' LEU . 40.1 t80 -67.41 -26.02 66.23 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.926 -1.108 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -77.71 -31.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 O-C-N 121.174 -0.954 . . . . 0.0 108.735 -179.24 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.572 ' CB ' ' HG ' ' A' ' 78' ' ' SER . 0.9 OUTLIER -68.75 -44.89 72.81 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.785 -0.572 . . . . 0.0 110.547 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -42.66 73.05 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.783 -1.198 . . . . 0.0 111.204 -178.59 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.83 -35.06 74.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.823 -1.173 . . . . 0.0 109.221 -179.047 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -40.02 87.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.044 0.926 . . . . 0.0 108.827 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.37 -38.93 69.48 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.85 78.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.049 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.3 -35.52 73.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.579 -0.7 . . . . 0.0 109.338 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.99 -40.1 87.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.795 -1.19 . . . . 0.0 108.996 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.56 -40.04 95.57 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.181 -0.95 . . . . 0.0 109.401 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -84.01 -39.49 19.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.133 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.715 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.419 ' O ' ' OE2' ' A' ' 45' ' ' GLU . 57.2 mtt-85 . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 6.0 p80 -58.53 -37.18 75.1 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.885 -1.134 . . . . 0.0 108.369 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.62 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 81.5 tttt -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.094 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 44.4 tp -65.36 -32.61 74.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.684 -0.635 . . . . 0.0 110.203 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -60.05 -24.58 64.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.049 -1.032 . . . . 0.0 110.849 -178.561 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.595 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.3 OUTLIER -49.65 -35.66 22.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.541 -1.349 . . . . 0.0 109.176 -178.826 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.595 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -78.59 -35.73 45.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.032 -1.042 . . . . 0.0 109.911 178.666 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 55.6 p -58.23 -34.33 70.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.006 -1.059 . . . . 0.0 108.632 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 58.4 mm-40 . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.386 -0.822 . . . . 0.0 . 179.143 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.621 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 6.4 p80 -58.35 -36.89 74.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.825 -1.172 . . . . 0.0 108.487 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.621 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 83.0 tttt -60.03 -28.74 68.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.97 -40.0 83.44 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 179.086 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.75 -32.16 73.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.735 -0.603 . . . . 0.0 110.197 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -59.97 -24.62 64.56 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.035 -1.041 . . . . 0.0 110.779 -178.787 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -49.86 -35.21 22.43 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.476 -1.39 . . . . 0.0 109.418 -178.646 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.52 -34.29 41.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.869 178.888 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 45.3 p -59.96 -33.25 71.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.993 -1.067 . . . . 0.0 108.482 -179.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 58.0 mm-40 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.447 -0.783 . . . . 0.0 . 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.219 0.533 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m 55.76 39.94 30.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -72.76 -13.44 61.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.565 -0.71 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -43.27 -21.45 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.27 -0.894 . . . . 0.0 110.444 -178.369 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' GLU . 87.7 tt0 -70.07 -40.16 75.2 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.458 179.183 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 2' ' ' GLU . 28.5 ttpt -79.35 -46.52 17.48 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.876 -0.515 . . . . 0.0 110.697 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -65.04 -48.51 73.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.361 -0.837 . . . . 0.0 111.41 -178.093 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.3 mtt -60.05 -40.02 88.0 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 -178.704 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 4' ' ' GLU . 54.6 t -64.21 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.67 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -68.25 -34.61 76.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 111.525 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.92 -39.94 87.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.463 -1.398 . . . . 0.0 107.671 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.65 -40.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.814 -0.554 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.73 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.753 -1.217 . . . . 0.0 111.609 -178.562 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.59 -33.51 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.804 -1.185 . . . . 0.0 110.275 -178.539 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' A' ' 18' ' ' SER . 65.0 t80 -59.86 -40.03 87.24 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.49 -1.381 . . . . 0.0 108.882 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -76.73 -22.16 54.25 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 27.9 tp60 -54.6 -44.43 73.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.269 -0.894 . . . . 0.0 110.765 -178.094 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' HD12 ' A' ' 35' ' ' LEU . 16.0 p90 -118.31 -24.5 6.88 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 121.108 -0.995 . . . . 0.0 111.344 -179.199 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 48.3 m -60.09 -40.2 88.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.614 -1.304 . . . . 0.0 109.39 -179.574 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 2.8 63.31 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 70.2 ttt180 -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.161 -1.199 . . . . 0.0 108.41 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 99.5 mt-10 -114.13 163.17 15.56 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.425 0.631 . . . . 0.0 109.381 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.41 -19.22 0.03 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 69.4 m-20 -77.94 85.05 4.2 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.773 -1.428 . . . . 0.0 109.853 -179.216 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -94.35 -42.45 8.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.405 -0.809 . . . . 0.0 110.284 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -92.89 0.12 57.34 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.146 -0.971 . . . . 0.0 110.246 -178.719 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -139.96 157.02 46.35 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -122.91 117.77 26.34 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.418 -0.801 . . . . 0.0 109.766 -178.073 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.4 mtmp? -90.46 149.81 22.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.675 -1.266 . . . . 0.0 108.449 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -44.37 -21.74 0.05 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' LYS . 85.7 p -70.61 -49.49 47.09 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.778 -179.437 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.64 -33.48 74.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.974 -1.079 . . . . 0.0 108.858 179.211 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.96 -40.98 90.89 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -62.41 -39.98 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.592 -0.693 . . . . 0.0 109.622 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 77.2 mm-40 -60.58 -39.99 90.06 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 110.294 -179.027 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -70.02 -44.37 69.43 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.707 -1.246 . . . . 0.0 109.065 179.675 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' N ' HD23 ' A' ' 35' ' ' LEU . 88.8 mt -70.03 -41.24 79.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.174 -0.954 . . . . 0.0 112.461 -177.755 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -84.08 -32.87 24.55 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.343 -1.473 . . . . 0.0 111.771 -178.193 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -101.01 -36.72 8.91 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.339 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.64 -17.76 33.02 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.319 -1.488 . . . . 0.0 110.537 -177.228 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.05 58.86 0.65 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.358 -0.838 . . . . 0.0 109.092 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -60.0 -40.09 88.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.215 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -141.47 -9.99 0.95 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.042 -1.036 . . . . 0.0 110.307 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.88 -30.02 67.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.99 -1.069 . . . . 0.0 109.932 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.8 165.39 27.61 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -66.07 119.0 10.64 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.312 -1.355 . . . . 0.0 109.497 -179.542 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.8 153.07 44.3 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 110.039 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.452 HD12 HG21 ' A' ' 36' ' ' ILE . 60.6 mt -102.63 129.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.255 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -106.81 -20.08 13.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.722 . . . . 0.0 110.042 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 45.2 tp10 -119.59 138.58 53.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.336 -0.853 . . . . 0.0 108.968 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.15 -22.31 66.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.459 -0.776 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -59.97 -38.07 81.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.177 -0.952 . . . . 0.0 109.957 -178.813 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.06 -39.69 81.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.77 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 120.426 -0.509 . . . . 0.0 109.852 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.37 -39.01 93.04 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.211 1.005 . . . . 0.0 109.194 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.95 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.724 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.53 -32.82 73.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.216 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.21 -39.97 80.4 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.176 -1.577 . . . . 0.0 107.128 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -77.41 -46.61 22.15 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.818 -0.551 . . . . 0.0 111.326 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 76' ' ' PHE . 31.6 mt -89.31 -15.55 33.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.94 -1.1 . . . . 0.0 111.705 -177.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.0 t0 -81.92 59.52 4.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.144 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.15 -37.08 76.43 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.042 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 69.1 m-20 -77.01 -10.03 59.09 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.33 29.91 70.0 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -107.25 8.68 30.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.368 -1.078 . . . . 0.0 110.124 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.2 18.98 77.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -150.43 125.89 10.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.153 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.92 130.32 45.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.03 -1.044 . . . . 0.0 108.481 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.83 159.91 33.73 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.571 -0.706 . . . . 0.0 109.664 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 2.3 t80 -46.5 -39.9 11.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.427 -0.795 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -67.92 -39.98 83.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 110.34 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 45.2 mt-10 -63.06 -42.11 99.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.7 -1.25 . . . . 0.0 110.381 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.6 -36.35 82.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.269 -0.894 . . . . 0.0 109.112 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 75.6 mmm -60.0 -38.95 84.12 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.584 -178.847 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.51 69.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.772 -1.205 . . . . 0.0 111.383 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.722 ' HB2' HD21 ' A' ' 60' ' ' LEU . 42.3 t80 -69.98 -20.25 63.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.596 -1.315 . . . . 0.0 109.57 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.9 t -75.02 -36.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.29 -0.881 . . . . 0.0 109.153 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -62.37 -45.14 94.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.0 110.298 -179.515 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.4 ptm -70.62 -39.99 73.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 111.46 -178.707 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 76' ' ' PHE . 80.0 t -60.01 -40.02 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.736 -1.228 . . . . 0.0 109.397 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -39.8 86.67 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.507 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.425 HG23 ' CE2' ' B' ' 70' ' ' PHE . 5.1 m -49.75 -34.5 19.3 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.25 87.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 88' ' ' PHE . 63.5 m -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.471 -0.768 . . . . 0.0 109.162 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -59.95 -40.09 87.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.372 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -40.02 88.13 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 0.0 109.008 178.682 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -86.05 -25.2 26.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 109.655 -179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.4 t80 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.144 -0.973 . . . . 0.0 108.525 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.56 39.84 31.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.209 -0.932 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.8 mt-10 -72.88 -13.07 61.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.465 -0.772 . . . . 0.0 110.471 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 2' ' ' GLU . 80.0 mt -43.45 -21.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.899 . . . . 0.0 110.391 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' B' ' 2' ' ' GLU . 87.6 tt0 -69.97 -39.95 75.69 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.442 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 2' ' ' GLU . 29.1 ttpt -79.33 -46.91 16.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.866 -0.521 . . . . 0.0 110.765 -179.499 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.71 -48.54 74.26 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 111.418 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.4 mtt -59.98 -40.04 87.79 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.276 -0.89 . . . . 0.0 109.814 -178.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 4' ' ' GLU . 54.5 t -64.17 -39.17 84.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 O-C-N 121.399 -0.813 . . . . 0.0 109.68 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -67.88 -34.89 77.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.503 -0.748 . . . . 0.0 111.618 -178.151 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.9 -39.96 87.15 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.517 -1.365 . . . . 0.0 107.582 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.75 -40.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.788 -0.57 . . . . 0.0 110.696 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 61.3 t0 -61.61 -43.33 99.06 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.869 -1.144 . . . . 0.0 111.576 -178.606 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.71 -33.68 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.83 -1.169 . . . . 0.0 110.236 -178.449 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' B' ' 18' ' ' SER . 65.2 t80 -59.86 -39.98 87.05 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.442 -1.411 . . . . 0.0 108.956 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -76.49 -22.21 54.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.214 -0.929 . . . . 0.0 110.35 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.497 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 27.2 tp60 -54.79 -44.01 73.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.756 -177.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -118.58 -24.38 6.78 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.14 -0.975 . . . . 0.0 111.302 -179.206 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 50.1 m -60.18 -40.47 90.1 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.651 -1.281 . . . . 0.0 109.412 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 2.71 62.32 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.566 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 70.2 ttt180 -60.02 -42.88 95.32 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.147 -1.208 . . . . 0.0 108.446 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.8 mt-10 -114.19 163.11 15.67 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.461 0.648 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.06 -19.61 0.03 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' B' ' 21' ' ' GLU . 69.5 m-20 -77.64 85.17 3.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.765 -1.432 . . . . 0.0 109.857 -179.217 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -94.33 -42.55 8.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.434 -0.791 . . . . 0.0 110.257 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -92.72 0.02 57.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.264 -0.897 . . . . 0.0 110.361 -178.684 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -139.86 157.1 46.26 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -122.18 117.54 26.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 -178.177 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 30' ' ' SER . 6.6 mtmp? -90.47 150.0 21.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.642 -1.286 . . . . 0.0 108.358 178.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 28' ' ' LYS . 61.9 pttt -44.51 -21.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.202 -0.937 . . . . 0.0 108.851 178.803 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 28' ' ' LYS . 81.6 p -70.5 -49.29 49.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.847 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.91 -33.17 73.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.017 -1.052 . . . . 0.0 108.848 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.1 -41.06 91.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.34 -40.06 95.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.588 -0.695 . . . . 0.0 109.562 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 77.3 mm-40 -60.53 -39.97 89.81 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.06 -1.025 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.463 HD23 ' N ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -70.06 -44.4 69.23 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.632 -1.292 . . . . 0.0 109.148 179.596 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.482 HG21 HD12 ' B' ' 47' ' ' ILE . 90.8 mt -70.01 -41.41 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.377 -177.728 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.73 -33.19 25.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.487 -1.383 . . . . 0.0 111.838 -178.232 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -100.99 -36.85 8.87 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -177.173 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -86.45 -17.79 33.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.335 -1.478 . . . . 0.0 110.579 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 33.5 mt -113.13 58.86 0.65 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.391 -0.818 . . . . 0.0 108.92 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -40.14 87.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -141.41 -9.72 0.96 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.02 -30.07 67.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.031 -1.043 . . . . 0.0 109.954 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.75 165.66 26.86 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.453 ' O ' ' OE2' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -66.36 119.16 11.1 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.269 -1.372 . . . . 0.0 109.478 -179.521 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.97 153.03 44.63 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 109.985 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.482 HD12 HG21 ' B' ' 36' ' ' ILE . 61.6 mt -102.51 129.99 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.135 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.92 -20.31 13.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.464 -0.772 . . . . 0.0 110.011 -178.281 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 45.7 tp10 -119.39 138.68 52.93 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.341 -0.849 . . . . 0.0 108.96 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -65.16 -22.25 66.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.472 -0.768 . . . . 0.0 110.56 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 0.7 OUTLIER -59.99 -38.25 82.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.091 -1.006 . . . . 0.0 110.009 -178.79 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.98 -39.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.15 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.806 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.36 -39.06 93.13 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.191 0.996 . . . . 0.0 109.262 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.17 -40.03 86.54 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.745 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.98 -28.82 44.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.99 -32.5 72.11 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.265 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.46 -40.01 81.5 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.135 -1.603 . . . . 0.0 107.023 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -77.26 -46.54 22.8 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.744 -0.597 . . . . 0.0 111.394 179.53 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' B' ' 76' ' ' PHE . 32.1 mt -89.3 -15.51 33.31 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.781 -1.2 . . . . 0.0 111.685 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.1 t0 -81.95 59.76 4.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.1 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -59.44 -36.89 76.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.1 m-20 -77.23 -9.7 58.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.408 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.86 30.01 68.74 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -107.25 8.85 30.13 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.443 -1.034 . . . . 0.0 110.06 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.76 19.19 76.53 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -150.24 125.69 10.19 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.8 130.32 45.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.962 -1.086 . . . . 0.0 108.513 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.83 160.01 33.54 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.5 -0.75 . . . . 0.0 109.687 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 2.2 t80 -46.57 -39.77 11.63 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.217 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -68.11 -39.91 82.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 43.7 mt-10 -63.04 -42.23 99.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.872 -1.143 . . . . 0.0 110.344 -179.359 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -66.7 -36.27 82.11 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 109.118 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.3 mmm -59.95 -38.99 84.08 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.299 0.571 . . . . 0.0 110.596 -178.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.57 70.06 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.701 -1.249 . . . . 0.0 111.324 -178.352 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' B' ' 60' ' ' LEU . 42.1 t80 -69.91 -20.34 63.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.628 -1.295 . . . . 0.0 109.667 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.45 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.8 t -74.87 -36.9 40.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.313 -0.867 . . . . 0.0 109.113 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 74' ' ' MET . 4.2 m -62.14 -45.26 94.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.0 110.247 -179.386 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptm -70.54 -40.02 73.69 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 111.469 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 76' ' ' PHE . 74.2 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.748 -1.22 . . . . 0.0 109.414 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.91 -39.98 87.29 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.409 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.7 m -49.75 -34.34 18.81 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.08 87.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 108.599 178.195 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' B' ' 88' ' ' PHE . 64.3 m -59.99 -34.28 73.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.437 -0.79 . . . . 0.0 109.242 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.984 -1.072 . . . . 0.0 108.353 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.09 -40.09 88.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 108.926 178.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -86.11 -25.0 26.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -0.796 . . . . 0.0 109.738 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.4 t80 . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.164 -0.96 . . . . 0.0 108.586 179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.514 ' CD ' ' N ' ' X' ' 104' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.588 0.708 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.51 ' O ' ' SD ' ' X' ' 109' ' ' MET . 86.2 t60 -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.487 -0.758 . . . . 0.0 109.521 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -59.96 -37.41 79.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.392 -0.818 . . . . 0.0 109.883 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -59.39 -39.95 85.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.495 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.889 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 19.2 tp -69.12 -38.67 79.01 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.186 -0.946 . . . . 0.0 110.032 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -49.2 -24.53 1.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 109.729 -179.304 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.563 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -42.24 -46.28 4.42 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.244 -0.91 . . . . 0.0 110.303 -179.077 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.889 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 0.6 OUTLIER -74.05 -34.43 64.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.018 -1.052 . . . . 0.0 109.93 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 42.0 p -60.86 -38.92 87.25 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.794 -1.191 . . . . 0.0 108.06 179.611 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.587 -0.696 . . . . 0.0 . 179.362 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' Y' ' 104' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.57 0.7 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 86.2 t60 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.482 -0.761 . . . . 0.0 109.461 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -59.98 -37.27 79.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -59.69 -39.96 86.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.021 -1.049 . . . . 0.0 109.524 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.835 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 19.6 tp -69.15 -38.56 78.84 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -49.13 -24.53 1.69 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.941 -1.1 . . . . 0.0 109.734 -179.431 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -42.32 -45.88 4.39 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.28 -0.888 . . . . 0.0 110.387 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.835 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 0.6 OUTLIER -74.18 -35.41 63.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -60.01 -38.54 82.95 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.173 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 O-C-N 121.544 -0.723 . . . . 0.0 . 179.41 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.4 ' C ' ' H ' ' A' ' 2' ' ' GLU . 62.7 mtt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 61.14 7.19 1.51 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.309 -0.87 . . . . 0.0 109.015 -179.49 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.9 pt-20 -76.39 13.9 0.86 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 3' ' ' LEU . 2.9 tm? -59.78 -40.15 87.32 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.477 -0.765 . . . . 0.0 109.466 -178.577 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.94 -38.63 82.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.894 -1.129 . . . . 0.0 110.26 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.99 -36.22 75.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.072 -1.018 . . . . 0.0 109.862 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -39.98 84.32 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.495 -0.753 . . . . 0.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.8 mtt -68.97 -39.88 79.17 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 108.938 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.3 -37.18 79.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.022 -179.293 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.56 69.31 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.237 -0.914 . . . . 0.0 110.211 -178.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.643 HD12 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -59.82 -40.54 88.79 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.68 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.97 -40.01 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.741 -0.6 . . . . 0.0 110.961 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.01 -42.28 93.97 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.817 -1.177 . . . . 0.0 112.388 -177.647 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -39.04 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.679 -1.263 . . . . 0.0 110.381 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 68.8 t80 -57.89 -39.97 79.15 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.728 -1.232 . . . . 0.0 109.254 -179.06 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.95 -27.59 69.24 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.11 -0.994 . . . . 0.0 109.643 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -40.14 88.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.082 -1.012 . . . . 0.0 111.132 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -95.86 -31.02 13.35 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.809 -1.182 . . . . 0.0 112.348 -178.464 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.536 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 54.0 m -60.08 -40.02 88.11 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.458 -1.401 . . . . 0.0 109.898 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.24 0.18 80.83 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -59.95 -46.39 89.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.084 -1.245 . . . . 0.0 109.347 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -114.6 164.19 14.37 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.19 -16.19 1.31 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.22 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.2 m-20 -80.73 64.52 5.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.617 -1.52 . . . . 0.0 109.495 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.0 -38.96 76.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.879 . . . . 0.0 110.624 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -77.62 -19.03 56.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.064 -1.023 . . . . 0.0 111.368 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 23' ' ' ASP . 17.9 pttp -138.31 157.51 46.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.996 -1.065 . . . . 0.0 109.435 -179.607 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.82 122.66 48.3 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.54 -0.725 . . . . 0.0 109.097 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' SER . 37.8 pttt -98.11 155.65 17.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.722 -1.236 . . . . 0.0 109.519 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -43.9 -24.51 0.14 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 109.838 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LYS . 17.2 t -73.31 -51.5 17.32 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.491 -179.594 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 mt-10 -63.82 -36.78 85.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.0 -40.48 89.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.66 -0.65 . . . . 0.0 109.784 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.99 -40.01 91.82 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.173 -0.954 . . . . 0.0 110.207 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -66.71 -37.43 84.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.208 -0.932 . . . . 0.0 109.519 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.2 tt -66.16 -48.86 69.35 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.076 -1.015 . . . . 0.0 109.683 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -69.12 -45.34 79.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.12 -0.987 . . . . 0.0 111.052 -178.203 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -70.88 -41.07 71.83 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.08 . . . . 0.0 112.151 -177.643 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.06 -31.79 11.6 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 21.4 tt0 -79.34 -9.96 59.7 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.122 -1.611 . . . . 0.0 109.225 -178.079 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.35 52.18 0.85 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.633 -0.667 . . . . 0.0 109.263 179.782 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 43' ' ' PHE . 66.9 m -61.3 109.76 1.23 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.129 -0.982 . . . . 0.0 110.297 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 56.22 -11.73 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.71 -0.619 . . . . 0.0 111.631 179.423 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.3 t80 -69.88 -39.71 76.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.59 -1.319 . . . . 0.0 109.078 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.17 160.66 37.14 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' NE ' ' X' ' 104' ' ' ARG . 85.9 tt0 -58.49 112.72 1.69 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.883 -1.136 . . . . 0.0 109.248 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.37 164.12 11.9 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.868 0.842 . . . . 0.0 110.064 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.49 135.97 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.387 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -107.46 -25.02 11.59 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.281 -0.887 . . . . 0.0 109.614 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -123.77 143.66 50.17 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.402 -0.811 . . . . 0.0 110.276 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.622 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.11 -18.23 63.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.867 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.7 pt-20 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 109.569 -179.781 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.9 t -60.02 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.759 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.49 -40.06 87.62 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.186 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.98 -39.6 95.23 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.242 -0.911 . . . . 0.0 109.908 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -64.89 -39.99 94.41 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.7 -31.22 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 84.0 mmm -70.0 -30.34 67.64 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.871 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.92 -40.03 87.47 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.439 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -77.09 -42.65 37.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.862 -0.524 . . . . 0.0 111.468 178.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.52 -22.0 30.34 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.949 -1.094 . . . . 0.0 109.884 -178.315 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.5 t0 -81.73 63.34 5.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.875 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.6 -39.05 79.33 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.878 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -78.61 -11.3 59.96 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.464 -0.772 . . . . 0.0 109.21 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.8 42.72 92.87 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.09 -0.87 26.26 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.241 -1.152 . . . . 0.0 110.051 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.98 1.13 87.17 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -146.16 149.88 34.83 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.51 51.66 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -75.21 167.96 20.9 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 p90 -57.52 -38.12 74.16 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 117.966 -1.493 . . . . 0.0 109.056 -178.481 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -61.65 -40.03 93.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 109.938 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.31 -40.25 95.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.471 -1.393 . . . . 0.0 108.857 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 77' ' ' VAL . 50.8 t80 -64.9 -33.69 76.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.535 -0.728 . . . . 0.0 109.694 179.601 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.643 ' SD ' HD12 ' A' ' 10' ' ' LEU . 87.2 mmm -60.09 -37.48 80.07 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.313 0.578 . . . . 0.0 110.35 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.53 75.1 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.262 -178.508 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 80' ' ' VAL . 65.7 t80 -70.02 -34.05 72.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 0.0 110.72 -179.2 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -60.9 -39.92 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 O-C-N 121.256 -0.902 . . . . 0.0 109.275 -179.931 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -64.28 -39.96 95.0 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.552 -0.718 . . . . 0.0 110.055 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.57 -41.65 75.56 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.603 -178.358 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 76' ' ' PHE . 38.9 t -65.94 -37.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 120.657 -1.277 . . . . 0.0 108.653 -179.294 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -60.05 -39.94 87.72 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.458 HG23 ' CZ ' ' B' ' 70' ' ' PHE . 26.1 m -55.34 -38.77 69.2 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.721 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -62.32 -38.78 90.73 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.528 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.0 m -60.02 -37.6 80.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.265 -0.897 . . . . 0.0 109.904 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -58.6 -38.74 78.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.912 -1.117 . . . . 0.0 108.129 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.93 -38.3 81.98 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -83.56 -39.0 20.94 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.215 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.404 ' C ' ' H ' ' B' ' 2' ' ' GLU . 65.1 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.432 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.8 m 60.96 7.14 1.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 108.916 -179.464 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 0' ' ' MET . 19.1 pt-20 -76.25 14.0 0.82 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 3' ' ' LEU . 2.9 tm? -59.92 -39.99 87.33 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.421 -0.8 . . . . 0.0 109.351 -178.422 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.1 -38.69 83.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.853 -1.154 . . . . 0.0 110.223 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.8 -36.36 75.61 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.875 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -39.93 84.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.55 -0.719 . . . . 0.0 111.497 -178.156 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 mtt -68.99 -39.94 79.05 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 108.959 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.3 -36.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.17 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.38 -34.03 67.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.99 . . . . 0.0 110.146 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.608 HD12 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -59.95 -40.57 89.42 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.692 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -70.0 -40.04 78.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.75 -0.594 . . . . 0.0 110.892 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.17 -42.11 94.28 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.147 . . . . 0.0 112.279 -177.394 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -38.97 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.75 -1.219 . . . . 0.0 110.355 -178.688 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 72.2 t80 -58.03 -39.91 79.55 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.732 -1.23 . . . . 0.0 109.276 -179.164 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.81 -27.95 69.53 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.17 -0.956 . . . . 0.0 109.598 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.07 -40.08 88.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.028 -1.045 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -95.61 -31.12 13.43 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.701 -1.249 . . . . 0.0 112.391 -178.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.551 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 54.1 m -59.99 -40.08 87.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.393 -1.442 . . . . 0.0 109.897 -179.018 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.79 0.02 79.23 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -60.03 -46.19 90.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.066 -1.255 . . . . 0.0 109.468 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -114.96 164.02 14.74 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.83 -16.27 1.14 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.221 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 98.9 m-20 -80.78 64.68 5.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.632 -1.51 . . . . 0.0 109.533 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -69.93 -39.48 76.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.826 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -77.49 -18.89 56.68 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.142 -0.974 . . . . 0.0 111.392 -177.759 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' B' ' 23' ' ' ASP . 17.7 pttp -138.55 157.63 45.79 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.952 -1.093 . . . . 0.0 109.449 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.88 122.75 48.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.581 -0.699 . . . . 0.0 109.16 -178.693 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.5 pttt -98.11 155.67 17.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.786 -1.196 . . . . 0.0 109.597 179.809 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.87 -24.51 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.503 -0.748 . . . . 0.0 109.873 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 28' ' ' LYS . 21.9 t -73.63 -51.18 17.66 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.447 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 50.2 mt-10 -63.94 -37.03 85.91 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.115 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.72 -40.58 88.5 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.715 -0.616 . . . . 0.0 109.718 -179.604 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.8 -40.05 91.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.71 -37.58 84.99 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.118 -0.988 . . . . 0.0 109.482 -178.492 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.689 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.6 tt -65.69 -49.32 68.95 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.221 -0.924 . . . . 0.0 109.606 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.13 -45.56 79.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 121.171 -0.956 . . . . 0.0 111.051 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -70.62 -40.89 72.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -99.08 -31.97 11.5 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 21.2 tt0 -79.36 -9.96 59.71 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.15 -1.594 . . . . 0.0 109.249 -178.068 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -114.26 52.33 0.84 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.564 ' C ' ' H ' ' B' ' 43' ' ' PHE . 75.1 m -61.27 109.21 1.07 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.185 -0.947 . . . . 0.0 110.292 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 56.15 -11.34 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.715 -0.616 . . . . 0.0 111.588 179.484 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.564 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.5 t80 -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.536 -1.352 . . . . 0.0 109.013 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -133.91 160.77 36.68 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.516 ' OE2' ' NE ' ' Y' ' 104' ' ' ARG . 84.1 tt0 -58.67 112.58 1.67 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.879 -1.138 . . . . 0.0 109.395 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.1 163.87 11.7 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.859 0.838 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -96.24 136.23 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -108.1 -24.58 11.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.258 -0.901 . . . . 0.0 109.585 -179.354 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -123.77 143.43 50.31 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.457 -0.777 . . . . 0.0 110.266 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.625 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.15 -17.99 63.89 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.832 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.5 pt-20 -60.93 -39.95 91.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.176 -0.952 . . . . 0.0 109.517 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 98.4 t -59.98 -40.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.57 -40.01 87.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.201 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.74 -39.85 95.38 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.705 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.83 -40.06 94.57 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.9 t -66.34 -31.56 54.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 61' ' ' ASP . 84.2 mmm -70.0 -30.35 67.65 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.81 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -39.73 86.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 178.37 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -77.27 -42.77 35.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.752 -0.592 . . . . 0.0 111.306 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.28 -21.89 30.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.914 -1.116 . . . . 0.0 110.075 -178.324 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.8 t0 -81.87 63.29 6.05 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -58.55 -39.09 79.25 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.809 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.81 -11.08 59.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.433 -0.792 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.85 42.65 92.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -104.9 -0.96 26.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.2 -1.176 . . . . 0.0 110.121 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.01 1.11 87.22 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 -178.31 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -146.07 149.96 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.43 51.77 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.4 t0 -75.55 166.79 23.03 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.1 p90 -56.01 -38.78 70.96 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.947 -1.501 . . . . 0.0 109.32 -178.512 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.702 -1.249 . . . . 0.0 110.014 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.6 -40.01 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.372 -1.455 . . . . 0.0 108.812 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.445 ' O ' HG23 ' B' ' 77' ' ' VAL . 49.5 t80 -64.88 -33.95 77.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.6 -0.688 . . . . 0.0 109.515 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.608 ' SD ' HD12 ' B' ' 10' ' ' LEU . 87.3 mmm -59.85 -38.03 80.96 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.42 0.628 . . . . 0.0 110.514 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.46 75.4 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.288 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.527 ' CE2' HG21 ' B' ' 80' ' ' VAL . 67.3 t80 -70.0 -34.33 73.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 110.585 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -60.33 -39.98 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.93 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -64.33 -40.0 95.02 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.558 -0.714 . . . . 0.0 110.159 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -69.53 -41.84 75.45 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.356 -178.151 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.527 HG21 ' CE2' ' B' ' 76' ' ' PHE . 37.3 t -65.75 -37.71 80.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 120.68 -1.262 . . . . 0.0 108.66 -179.225 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 64.9 m -60.0 -39.75 86.86 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.439 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 23.5 m -55.73 -38.77 70.2 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.687 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -61.77 -39.17 90.71 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.474 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.17 -37.46 80.23 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.383 -0.823 . . . . 0.0 109.987 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -58.63 -38.8 78.86 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.929 -1.107 . . . . 0.0 108.052 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.01 -37.93 81.16 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.024 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.58 -39.34 20.48 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.239 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.545 ' NE ' ' OE2' ' A' ' 45' ' ' GLU . 5.2 ptm180 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.546 0.689 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' X' ' 106' ' ' LYS . 16.1 p80 -59.8 -39.21 84.19 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.947 -1.096 . . . . 0.0 108.225 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 46.2 tptt -59.7 -30.6 68.91 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 61.5 tttm -58.28 -40.13 81.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.0 -179.139 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.41 -24.39 39.69 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.39 -0.819 . . . . 0.0 109.926 178.52 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -57.91 -24.83 59.48 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.648 -1.282 . . . . 0.0 110.55 -178.6 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -53.77 -28.18 33.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.13 -1.606 . . . . 0.0 108.792 -179.505 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 2.0 mmpt? -69.94 -39.98 75.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.861 -1.15 . . . . 0.0 108.437 176.294 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 80.7 p -60.13 -36.04 76.62 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.138 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.81 . . . . 0.0 . 179.759 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.516 ' NE ' ' OE2' ' B' ' 45' ' ' GLU . 5.2 ptm180 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.481 0.658 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 16.4 p80 -59.97 -38.99 84.11 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.411 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 46.1 tptt -59.86 -30.84 69.25 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.616 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.4 tttm -58.03 -40.25 80.37 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.06 -1.025 . . . . 0.0 109.061 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.49 -24.65 39.3 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.415 -0.803 . . . . 0.0 109.973 178.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 34.0 mmt -57.75 -24.67 58.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.683 -1.261 . . . . 0.0 110.363 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.474 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -53.98 -28.01 35.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.021 -1.674 . . . . 0.0 108.618 -179.445 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.474 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 2.3 mmpt? -69.99 -39.95 75.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.911 -1.118 . . . . 0.0 108.52 176.238 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -60.01 -35.76 75.76 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.196 -179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 . 179.868 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.82 27.81 17.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.31 -0.869 . . . . 0.0 109.563 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLU . 45.5 mt-10 -74.7 -10.0 59.1 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.519 -0.738 . . . . 0.0 109.106 179.387 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -42.91 -24.66 0.07 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.501 -0.75 . . . . 0.0 110.523 -178.669 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' GLU . 18.6 pt-20 -72.03 -36.25 69.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.804 -1.185 . . . . 0.0 109.948 179.332 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -82.81 -30.75 28.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.982 -1.074 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.02 -40.04 72.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.076 . . . . 0.0 110.181 -179.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -66.87 -40.03 87.7 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.09 -38.65 83.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.156 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.91 75.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.182 -0.948 . . . . 0.0 110.679 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD21 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.55 -39.99 81.79 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.234 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.88 -39.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.854 -0.529 . . . . 0.0 110.999 179.357 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.02 -46.16 90.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.759 -1.213 . . . . 0.0 111.946 -177.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -40.01 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.917 . . . . 0.0 111.301 -177.078 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.06 -39.94 87.75 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.295 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -65.14 -27.94 69.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.316 -179.567 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.05 -40.5 89.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.704 -1.247 . . . . 0.0 110.236 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.476 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 49.1 m-85 -92.01 -29.92 16.35 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.863 -1.148 . . . . 0.0 111.719 -179.264 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 50.2 p -60.06 -39.59 86.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.071 -1.018 . . . . 0.0 109.821 -179.023 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.98 -6.23 89.61 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 20' ' ' ARG . 32.4 ttt-85 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.087 -1.243 . . . . 0.0 109.726 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -91.75 -2.04 57.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.038 -1.039 . . . . 0.0 109.033 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.0 -9.99 75.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 26' ' ' LYS . 52.1 m-20 -83.16 69.1 9.83 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.148 -1.207 . . . . 0.0 108.563 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.82 -39.99 94.47 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -179.397 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -77.62 -24.27 49.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.127 -0.983 . . . . 0.0 111.812 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -139.19 157.72 45.43 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.812 -1.18 . . . . 0.0 109.435 -179.503 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.3 131.56 53.7 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.371 -0.831 . . . . 0.0 109.794 -178.287 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' SER . 65.2 tttm -100.47 146.46 27.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.028 -1.045 . . . . 0.0 109.618 -179.659 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -44.19 -23.92 0.13 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.427 -0.796 . . . . 0.0 109.698 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.8 m -74.57 -50.36 18.28 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.682 -0.807 . . . . 0.0 109.114 -179.628 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 55.8 tt0 -64.58 -36.14 83.28 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.03 -40.4 89.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.755 -0.591 . . . . 0.0 109.648 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.302 -0.874 . . . . 0.0 110.008 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -61.29 -39.96 92.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.895 -1.128 . . . . 0.0 108.743 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.02 74.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.854 -1.154 . . . . 0.0 109.861 178.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.94 -43.49 79.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.498 -0.751 . . . . 0.0 112.677 -177.248 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.949 ' ND2' ' H ' ' A' ' 47' ' ' ILE . 9.4 m120 -76.83 -35.06 57.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.61 -1.306 . . . . 0.0 112.328 -177.864 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -98.8 -30.47 12.4 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.268 -0.895 . . . . 0.0 113.014 -177.45 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.63 -10.51 58.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.099 -1.625 . . . . 0.0 109.114 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.3 mt -132.78 58.54 1.76 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.3 m -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 110.044 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -138.02 -11.46 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.267 -0.896 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -70.02 -28.09 65.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.926 -1.109 . . . . 0.0 109.091 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tp -142.21 171.59 13.84 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.283 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 14.9 pt-20 -70.65 117.76 12.59 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.689 -1.204 . . . . 0.0 109.801 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.68 156.82 25.75 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.775 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.949 ' H ' ' ND2' ' A' ' 37' ' ' ASN . 58.8 mt -101.91 127.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 O-C-N 120.957 -1.09 . . . . 0.0 108.552 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.46 -20.02 16.65 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.583 -0.698 . . . . 0.0 111.248 -176.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 78.6 tt0 -128.51 136.4 50.75 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.117 -0.99 . . . . 0.0 110.088 -178.308 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.04 -25.34 65.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.578 -0.701 . . . . 0.0 110.074 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.0 -38.57 82.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.179 -0.951 . . . . 0.0 110.263 -179.114 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.05 -39.98 81.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.57 -36.81 77.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.4 -38.28 90.48 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.753 0.787 . . . . 0.0 109.969 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.25 -28.43 43.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.8 -35.45 77.03 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.359 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.61 -38.64 67.03 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 m -80.03 -49.54 11.65 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.143 -179.335 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 15.5 mt -89.65 -14.47 34.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.81 -1.181 . . . . 0.0 110.961 -177.719 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' MET . 38.1 t0 -81.85 60.95 4.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.021 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 86.6 mt-10 -59.64 -40.01 86.24 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.03 -19.49 63.3 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.21 80.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 23.6 p-10 -107.86 11.56 27.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.514 -0.992 . . . . 0.0 109.915 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 2.25 87.99 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 17.4 pt-20 -145.08 133.71 22.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.558 -0.966 . . . . 0.0 108.659 179.523 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 141.22 33.71 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' PHE . 86.6 m-20 -78.46 160.55 27.65 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 10.4 t80 -46.61 -35.75 6.23 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.306 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -59.99 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.545 -0.722 . . . . 0.0 110.861 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 35.7 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 110.718 -177.829 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.4 t80 -69.93 -31.68 69.56 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.938 -1.101 . . . . 0.0 109.348 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.9 mmm -59.97 -38.07 81.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.663 -0.648 . . . . 0.0 109.795 -178.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.597 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.307 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.473 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -60.18 -36.31 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.81 -0.556 . . . . 0.0 110.266 -178.91 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -63.0 -39.98 96.4 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.476 -178.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtm -71.43 -45.78 61.82 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.142 -179.022 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.49 -37.95 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.553 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.6 m -59.94 -39.16 84.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.6 m -57.58 -39.4 76.68 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.415 -0.803 . . . . 0.0 108.869 178.706 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 -34.73 71.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 109.883 -179.225 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 11.9 t-80 -60.08 -39.93 87.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.032 -1.042 . . . . 0.0 108.537 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 0.0 109.616 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.11 -31.46 25.26 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.162 -0.961 . . . . 0.0 110.337 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.191 -0.943 . . . . 0.0 108.6 -179.602 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.63 28.03 17.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.342 -0.849 . . . . 0.0 109.608 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 4' ' ' GLU . 46.1 mt-10 -74.8 -10.01 59.1 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.55 -0.719 . . . . 0.0 109.11 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' B' ' 2' ' ' GLU . 10.2 tp -42.91 -24.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.552 -0.717 . . . . 0.0 110.525 -178.664 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 2' ' ' GLU . 18.4 pt-20 -71.97 -36.37 69.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.846 -1.159 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -82.65 -30.97 28.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.95 -1.094 . . . . 0.0 110.344 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.04 72.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.945 -1.097 . . . . 0.0 110.168 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -66.75 -40.0 88.12 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.22 -38.43 82.63 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.526 -0.734 . . . . 0.0 110.1 -179.42 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.17 75.44 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.625 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.421 HD21 HG11 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.141 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.91 -39.97 78.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.003 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.06 -46.15 90.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.88 -1.137 . . . . 0.0 111.932 -177.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -40.03 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 0.0 111.217 -177.085 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.02 -39.95 87.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.918 -1.114 . . . . 0.0 109.346 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.418 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 63.5 m-70 -65.24 -27.82 68.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.269 -0.895 . . . . 0.0 110.271 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.07 -40.45 89.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.803 -1.186 . . . . 0.0 110.324 -179.31 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 49.0 m-85 -91.9 -30.1 16.33 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.815 -1.178 . . . . 0.0 111.617 -179.323 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.476 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.3 p -60.06 -39.54 86.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.111 -0.993 . . . . 0.0 109.809 -178.831 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.15 -6.05 89.66 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' B' ' 20' ' ' ARG . 29.5 ttt-85 -60.04 -49.89 75.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.301 . . . . 0.0 109.713 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -91.64 -2.16 57.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.07 -1.019 . . . . 0.0 109.003 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.04 75.35 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' B' ' 26' ' ' LYS . 52.3 m-20 -83.21 69.14 9.87 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.189 -1.183 . . . . 0.0 108.526 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.9 -39.9 94.24 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.32 -0.862 . . . . 0.0 110.323 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.66 -24.2 49.45 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.172 -0.955 . . . . 0.0 111.763 -178.247 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.5 pttp -139.29 157.82 45.23 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.541 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.38 131.7 53.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.383 -0.823 . . . . 0.0 109.765 -178.272 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' SER . 63.0 tttm -100.58 146.53 27.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.98 -1.075 . . . . 0.0 109.595 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -44.18 -23.82 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.37 -0.831 . . . . 0.0 109.71 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 68.4 m -74.85 -50.02 18.52 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.16 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 56.1 tt0 -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.355 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.06 -40.36 89.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.707 -0.621 . . . . 0.0 109.69 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.299 -0.875 . . . . 0.0 110.019 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.5 OUTLIER -61.09 -40.03 92.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.934 -1.104 . . . . 0.0 108.767 179.858 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.04 74.25 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.877 -1.139 . . . . 0.0 109.908 178.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.05 -43.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 112.663 -177.132 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.941 ' ND2' ' H ' ' B' ' 47' ' ' ILE . 9.6 m120 -77.05 -35.01 57.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.59 -1.319 . . . . 0.0 112.324 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -98.67 -30.64 12.34 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.245 -0.91 . . . . 0.0 112.974 -177.461 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.41 -10.82 58.18 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.129 -1.607 . . . . 0.0 109.11 -178.671 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.59 58.67 1.75 Allowed 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -60.03 -40.05 88.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.986 -179.306 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -138.18 -11.13 1.47 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.234 -0.916 . . . . 0.0 110.189 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.04 -28.06 65.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 109.068 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.28 171.84 13.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.27 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 15.9 pt-20 -70.76 117.89 12.85 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.787 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.535 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 38.0 tt0 -63.82 156.67 26.68 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.836 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.941 ' H ' ' ND2' ' B' ' 37' ' ' ASN . 63.8 mt -101.54 128.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.959 -1.088 . . . . 0.0 108.529 179.337 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.91 -20.03 16.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.511 -0.743 . . . . 0.0 111.093 -176.889 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.1 tt0 -128.45 136.36 50.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.125 -178.298 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -59.99 -25.37 65.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.495 -0.753 . . . . 0.0 109.962 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 1.3 pp20? -59.95 -38.68 83.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.167 -0.958 . . . . 0.0 110.337 -179.063 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.33 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.15 -38.36 90.76 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.722 0.773 . . . . 0.0 109.979 -179.354 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.59 -38.99 77.53 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.41 -28.49 43.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.819 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.73 -35.43 77.13 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.373 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -54.53 -38.74 66.93 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.141 -1.599 . . . . 0.0 106.74 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.7 m -79.97 -49.46 11.81 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.149 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 16.5 mt -89.66 -14.43 34.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.831 -1.168 . . . . 0.0 111.003 -177.678 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.5 t0 -81.97 60.81 4.98 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 83.8 mt-10 -59.51 -40.05 85.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.01 -19.4 63.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.57 32.19 80.42 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 23.8 p-10 -107.9 11.5 27.95 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.997 . . . . 0.0 109.933 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 2.16 88.13 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.3 pt-20 -144.96 133.77 22.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.519 -0.989 . . . . 0.0 108.705 179.581 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 141.1 33.89 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' B' ' 70' ' ' PHE . 85.7 m-20 -78.36 160.34 27.86 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' B' ' 69' ' ' ASP . 10.2 t80 -46.42 -35.64 5.74 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.287 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.621 -0.675 . . . . 0.0 110.93 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 35.7 mt-10 -60.05 -40.01 87.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.74 -177.912 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.429 ' O ' HG23 ' B' ' 77' ' ' VAL . 61.1 t80 -69.9 -31.61 69.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.056 -1.027 . . . . 0.0 109.309 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.1 mmm -60.01 -38.09 81.62 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.705 -0.622 . . . . 0.0 109.731 -179.004 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.666 -178.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.104 -0.997 . . . . 0.0 110.379 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -60.29 -36.37 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.82 -0.55 . . . . 0.0 110.207 -178.81 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -62.98 -40.02 96.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.537 -178.776 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 mtm -71.23 -46.21 61.62 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.099 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.0 -38.07 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 118.984 -1.087 . . . . 0.0 109.641 -178.385 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -39.46 85.78 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -57.28 -39.54 75.9 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.94 87.76 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.3 m -58.73 -34.58 71.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.477 -0.764 . . . . 0.0 109.907 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.018 -1.051 . . . . 0.0 108.517 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.04 -39.94 94.04 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -84.27 -31.29 25.03 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.154 -0.966 . . . . 0.0 110.32 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.202 -0.936 . . . . 0.0 108.611 -179.613 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.526 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.492 0.663 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' X' ' 104' ' ' ARG . 63.4 t60 -59.99 -39.71 86.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.213 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -59.99 -31.26 69.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.147 -0.971 . . . . 0.0 109.401 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -59.34 -40.34 86.05 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.539 -1.351 . . . . 0.0 107.595 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.62 ' HG ' ' HZ1' ' X' ' 111' ' ' LYS . 5.1 tt -66.71 -37.06 83.94 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.444 ' O ' ' C ' ' X' ' 110' ' ' PHE . 13.5 mmt -46.46 -24.36 0.5 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.959 -1.088 . . . . 0.0 110.068 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.4 p90 -39.89 -49.44 2.42 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.396 -0.815 . . . . 0.0 109.823 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.62 ' HZ1' ' HG ' ' X' ' 108' ' ' LEU . 11.5 ptpt -73.87 -36.78 64.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 10.3 m -60.04 -40.02 87.91 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 C--N 1.304 -1.413 0 O-C-N 121.466 -0.771 . . . . 0.0 . 179.293 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.538 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.497 0.665 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' Y' ' 104' ' ' ARG . 66.9 t60 -59.95 -39.65 86.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.219 -0.926 . . . . 0.0 109.192 -179.379 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -60.01 -31.15 69.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -59.77 -40.15 87.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.504 -1.372 . . . . 0.0 107.611 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.594 ' HG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.0 tt -66.5 -37.38 84.93 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.634 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.45 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 13.9 mmt -46.2 -24.44 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.915 -1.116 . . . . 0.0 110.067 -179.646 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.4 p90 -39.91 -49.3 2.42 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -0.784 . . . . 0.0 109.941 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.594 ' HZ1' ' HG ' ' Y' ' 108' ' ' LEU . 11.5 ptpt -74.01 -36.73 64.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.272 -0.893 . . . . 0.0 109.827 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.418 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 10.9 m -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 . . . . . 0 C--N 1.304 -1.407 0 O-C-N 121.516 -0.74 . . . . 0.0 . 179.239 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.37 32.04 20.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.35 -0.844 . . . . 0.0 109.142 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.55 -1.89 7.7 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.845 0.831 . . . . 0.0 108.919 179.423 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.486 ' HB2' HG21 ' B' ' 13' ' ' VAL . 1.9 tm? -59.81 -35.24 74.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 -177.504 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.89 -40.1 87.58 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.499 -1.376 . . . . 0.0 111.506 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.44 -31.92 60.5 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.138 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.36 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.471 -0.768 . . . . 0.0 111.735 -177.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.5 mtt -69.64 -39.13 77.29 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.88 -1.138 . . . . 0.0 109.622 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.89 -33.31 55.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.679 -0.638 . . . . 0.0 109.754 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.78 75.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.513 -0.742 . . . . 0.0 111.262 -179.206 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.98 -40.26 88.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.468 -1.395 . . . . 0.0 108.398 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.0 -38.69 82.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 O-C-N 121.657 -0.652 . . . . 0.0 110.066 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.33 -45.88 91.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.818 -1.176 . . . . 0.0 110.99 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' B' ' 3' ' ' LEU . 2.1 t -63.01 -39.99 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.304 -0.872 . . . . 0.0 111.048 -178.71 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.447 ' O ' ' OG ' ' A' ' 18' ' ' SER . 74.4 t80 -55.78 -39.95 71.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.149 -0.969 . . . . 0.0 108.916 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -75.38 -21.5 58.24 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.177 -0.952 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -59.88 -40.5 88.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.526 -1.359 . . . . 0.0 110.993 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 16.3 p90 -119.07 -24.0 6.65 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.098 -1.001 . . . . 0.0 111.328 -179.179 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 53.0 p -67.55 -38.09 83.64 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.616 -1.303 . . . . 0.0 109.461 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.1 -8.89 85.45 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.633 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -60.37 -42.62 96.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -1.09 . . . . 0.0 109.687 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.54 162.82 15.71 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.727 0.775 . . . . 0.0 109.916 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.75 -24.87 4.47 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 26' ' ' LYS . 85.7 m-20 -73.31 51.02 0.32 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.671 -1.487 . . . . 0.0 109.635 -179.486 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -71.31 -40.11 71.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.869 -1.144 . . . . 0.0 109.832 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -83.27 -11.59 57.6 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.666 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 23' ' ' ASP . 1.9 ptpm? -135.24 159.38 41.74 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 14' ' ' PHE . 7.8 tp -122.53 109.39 14.28 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.016 -1.053 . . . . 0.0 109.869 -178.386 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 30' ' ' SER . 39.6 pttt -89.74 149.73 22.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.778 -1.201 . . . . 0.0 109.046 179.181 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.0 ptpt -38.98 -24.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.121 0.486 . . . . 0.0 110.491 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.6 m -72.67 -45.24 59.91 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.644 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -68.09 -38.91 82.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.054 -1.029 . . . . 0.0 108.995 179.106 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.86 -39.95 86.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 108.915 179.132 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HD3' HG21 ' A' ' 53' ' ' VAL . 21.8 tptm -60.0 -39.7 86.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.415 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.96 -40.03 95.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.576 -0.702 . . . . 0.0 110.92 -178.136 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 17' ' ' TYR . 2.2 tt -67.56 -48.91 65.59 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 120.43 -1.419 . . . . 0.0 108.682 179.644 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -70.26 -43.15 78.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.326 -0.859 . . . . 0.0 111.689 -177.615 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.2 t-20 -77.9 -36.73 49.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.534 -1.354 . . . . 0.0 111.688 -178.258 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -98.69 -37.95 9.29 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.786 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.23 -19.07 24.58 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.223 -1.548 . . . . 0.0 110.733 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -114.34 51.76 0.87 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.235 -0.915 . . . . 0.0 109.627 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -72.29 -61.66 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.041 -1.037 . . . . 0.0 110.67 -179.433 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -8.76 39.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.877 -1.139 . . . . 0.0 109.91 -179.759 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -48.59 80.24 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.5 pp -159.46 175.62 13.08 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.487 -0.758 . . . . 0.0 109.68 179.562 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -52.85 99.03 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.73 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 pt-20 -63.67 164.28 10.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.4 mm -79.94 140.37 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 110.203 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.528 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.61 -16.78 14.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 109.988 -179.793 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.39 152.28 48.25 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.248 -0.908 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -70.76 -22.3 62.41 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -61.06 -39.98 91.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.422 -0.799 . . . . 0.0 110.54 -179.003 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.76 -39.85 83.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.633 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.467 HG21 ' HD3' ' A' ' 33' ' ' LYS . 46.4 t -63.76 -37.01 78.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.26 -39.93 94.51 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.046 0.927 . . . . 0.0 109.18 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.46 -39.79 92.42 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.39 -27.69 41.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.88 -32.28 70.54 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.363 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.84 -36.03 67.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -83.05 -48.87 10.13 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.198 -179.74 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.5 mt -89.08 -15.16 34.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.783 -1.198 . . . . 0.0 110.683 -177.667 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.5 t0 -80.09 63.93 4.76 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.271 -1.372 . . . . 0.0 107.5 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -59.52 -39.87 85.31 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.419 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.26 -20.09 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.746 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.01 76.05 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p-10 -109.99 14.12 23.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.259 -1.142 . . . . 0.0 110.31 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.4 17.55 76.25 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 -179.008 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 35.5 tt0 -152.01 138.93 19.0 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.668 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.33 141.62 47.38 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' PHE . 76.5 m-20 -74.97 160.32 30.71 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.338 -0.851 . . . . 0.0 109.0 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' B' ' 82' ' ' THR . 2.6 t80 -46.52 -36.39 6.69 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.176 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.858 -0.526 . . . . 0.0 110.692 178.39 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.13 -40.08 88.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 110.005 -178.32 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -61.38 -39.76 91.86 Favored 'General case' 0 C--N 1.296 -1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.305 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -60.11 -39.62 86.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.648 -0.657 . . . . 0.0 111.064 -178.124 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -65.88 -34.16 77.5 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.703 -1.248 . . . . 0.0 110.488 -178.445 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.34 -35.73 76.33 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.035 -1.041 . . . . 0.0 110.585 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -34.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 O-C-N 121.371 -0.831 . . . . 0.0 110.094 -178.403 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 9.3 p -66.92 -40.21 87.57 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.355 -0.84 . . . . 0.0 110.556 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.6 ptm -75.15 -40.08 59.91 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.464 -178.589 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 48.9 t -66.41 -36.67 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.557 -1.34 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -59.96 -40.11 87.89 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.444 HG23 ' CE2' ' B' ' 70' ' ' PHE . 11.6 m -55.53 -39.57 70.73 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.578 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -59.98 -35.98 76.16 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 4.8 t -60.01 -34.95 74.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -59.6 -40.19 86.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.866 -1.146 . . . . 0.0 108.506 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.69 -39.49 91.34 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.505 -0.747 . . . . 0.0 109.212 178.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -84.96 -24.18 28.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 111.035 -178.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 84' ' ' CYS . 55.5 t80 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.222 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.46 31.75 20.39 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 109.144 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.58 -2.25 8.54 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.913 0.863 . . . . 0.0 108.974 179.401 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 13' ' ' VAL . 2.1 tm? -59.65 -35.07 73.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.826 -177.647 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -39.68 87.51 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.54 -1.35 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.34 -32.29 60.84 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.824 -1.173 . . . . 0.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.16 74.54 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.62 -177.766 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.1 mtt -69.31 -39.36 78.32 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.959 -1.088 . . . . 0.0 109.67 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.91 -33.38 55.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.562 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.84 75.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.476 -0.765 . . . . 0.0 111.401 -178.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.01 -40.5 89.47 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.627 -1.296 . . . . 0.0 108.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.72 -38.82 83.16 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 121.809 -0.557 . . . . 0.0 110.113 179.358 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.79 -45.28 95.01 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.806 -1.184 . . . . 0.0 110.909 -179.201 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.486 HG21 ' HB2' ' A' ' 3' ' ' LEU . 2.1 t -63.29 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.309 -0.869 . . . . 0.0 111.004 -178.642 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.442 ' O ' ' OG ' ' B' ' 18' ' ' SER . 69.6 t80 -55.96 -39.5 71.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.072 -1.017 . . . . 0.0 108.853 -179.606 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -75.48 -21.95 57.63 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.078 -1.014 . . . . 0.0 111.073 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.62 -40.63 88.2 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.544 -1.347 . . . . 0.0 111.026 -177.631 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.7 p90 -119.09 -23.59 6.78 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.121 -0.987 . . . . 0.0 111.362 -179.068 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -68.12 -37.22 80.86 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.574 -1.329 . . . . 0.0 109.529 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 -8.21 86.97 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -1.126 . . . . 0.0 109.548 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.34 163.24 15.09 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.685 0.755 . . . . 0.0 109.904 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.88 -25.42 5.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.761 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.4 m-20 -72.95 50.84 0.28 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.788 -1.419 . . . . 0.0 109.689 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -70.79 -40.07 72.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.882 -1.136 . . . . 0.0 109.622 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.118 -0.989 . . . . 0.0 111.533 -178.683 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' B' ' 23' ' ' ASP . 1.8 ptpm? -135.85 158.95 43.14 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' B' ' 14' ' ' PHE . 8.0 tp -122.08 109.18 14.24 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.974 -1.079 . . . . 0.0 109.821 -178.287 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.7 pttt -89.05 149.91 23.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.671 -1.268 . . . . 0.0 109.0 179.158 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.3 ptpt -39.19 -24.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.808 -0.558 . . . . 0.0 110.578 179.882 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 28' ' ' LYS . 65.8 m -72.66 -45.6 58.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.631 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.06 -38.85 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.066 . . . . 0.0 108.824 179.323 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.78 -39.97 86.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' B' ' 53' ' ' VAL . 21.3 tptm -60.05 -40.02 87.97 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.31 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.63 -40.0 95.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' B' ' 17' ' ' TYR . 2.3 tt -67.32 -49.14 65.35 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.313 -1.492 . . . . 0.0 108.769 179.506 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.06 -43.12 79.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.371 -0.83 . . . . 0.0 111.662 -177.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.9 t-20 -78.35 -36.3 46.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.47 -1.394 . . . . 0.0 111.748 -178.168 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -98.66 -38.31 9.17 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.833 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -90.15 -19.28 24.44 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.422 -1.424 . . . . 0.0 110.701 -177.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.2 mt -114.07 51.45 0.87 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.236 -0.915 . . . . 0.0 109.659 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.8 t -71.95 -61.56 1.74 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.069 -1.019 . . . . 0.0 110.942 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 -8.46 38.31 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.858 -1.151 . . . . 0.0 109.839 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -48.98 78.28 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 46' ' ' GLU . 1.7 pp -159.12 174.84 14.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.422 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.7 tp10 -52.78 99.55 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.587 -179.503 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 44' ' ' LEU . 15.2 pt-20 -64.04 164.58 10.34 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.463 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.6 mm -80.31 140.18 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.001 -1.062 . . . . 0.0 110.117 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -106.39 -17.2 14.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.536 -0.728 . . . . 0.0 109.803 -179.661 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -138.16 152.52 48.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -71.19 -21.91 62.09 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.01 -39.96 91.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.415 -0.803 . . . . 0.0 110.449 -179.191 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.91 -39.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.46 HG21 ' HD3' ' B' ' 33' ' ' LYS . 46.6 t -63.65 -36.8 77.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.559 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.51 -39.79 94.64 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 122.113 0.959 . . . . 0.0 109.163 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -65.42 -40.41 93.32 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.12 -27.82 41.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.085 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -70.07 -31.8 69.57 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.442 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.15 -36.4 68.23 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 178.287 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -82.41 -49.02 10.44 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.186 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 mt -88.95 -15.07 35.17 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.835 -1.166 . . . . 0.0 110.841 -177.779 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.9 t0 -79.94 63.38 4.45 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 118.241 -1.384 . . . . 0.0 107.583 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.38 -39.74 84.32 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.329 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -70.07 -20.15 63.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.99 29.99 76.12 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.578 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 30.8 p-10 -110.03 14.37 23.01 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.367 -1.078 . . . . 0.0 110.295 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.495 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.86 17.86 75.62 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -179.07 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.3 tt0 -151.95 139.25 19.37 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.808 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 141.9 47.03 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' B' ' 70' ' ' PHE . 76.6 m-20 -75.51 161.0 29.56 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.444 ' CE2' HG23 ' A' ' 82' ' ' THR . 2.5 t80 -46.61 -36.42 6.93 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.071 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.47 -49.19 78.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.695 -0.628 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.35 -39.76 88.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 110.202 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.61 -38.99 92.33 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.338 -0.851 . . . . 0.0 109.188 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.99 -39.6 86.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.673 -0.642 . . . . 0.0 111.101 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.11 -33.81 76.62 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.787 -1.195 . . . . 0.0 110.571 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -61.17 -35.04 76.06 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.88 -1.138 . . . . 0.0 110.516 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -68.72 -34.62 65.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 121.295 -0.878 . . . . 0.0 110.0 -178.65 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 5.6 p -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.865 . . . . 0.0 110.496 -178.745 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.7 ptm -75.12 -40.49 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.971 -1.081 . . . . 0.0 111.447 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.82 -37.28 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.495 -1.378 . . . . 0.0 109.251 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.9 m -59.9 -39.85 86.79 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.443 HG23 ' CE2' ' A' ' 70' ' ' PHE . 11.7 m -55.41 -40.0 70.91 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.496 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.57 75.1 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.755 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' B' ' 88' ' ' PHE . 4.7 t -60.16 -35.02 74.4 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.55 -40.08 86.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.939 -1.101 . . . . 0.0 108.505 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.69 -39.76 91.61 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.13 178.802 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -84.76 -24.25 28.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.3 t80 . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.954 -1.091 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.9 OUTLIER -57.9 -31.31 66.64 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.557 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 87.4 tttt -59.91 -32.64 70.95 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.664 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttm -59.5 -40.07 85.83 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.864 -1.147 . . . . 0.0 108.154 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.14 -26.32 64.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 109.878 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -61.98 -24.74 67.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.558 -1.339 . . . . 0.0 109.816 179.856 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.75 -31.22 10.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.548 -1.345 . . . . 0.0 109.257 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.93 -30.97 40.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.386 -0.821 . . . . 0.0 109.436 179.267 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 77.6 p -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.916 -1.115 . . . . 0.0 108.594 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.423 -0.798 . . . . 0.0 . 179.838 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 121.29 0.567 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.5 OUTLIER -58.1 -31.28 66.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.013 -1.054 . . . . 0.0 108.553 179.925 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 88.2 tttt -60.18 -32.65 71.27 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.769 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.2 tttm -59.67 -39.72 85.39 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.901 -1.125 . . . . 0.0 108.336 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.38 -26.05 64.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 0.0 109.56 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.19 -24.73 67.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.591 -1.318 . . . . 0.0 109.949 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.51 -31.51 10.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.561 -1.337 . . . . 0.0 109.266 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -79.68 -31.42 41.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.351 -0.843 . . . . 0.0 109.553 179.504 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 71.3 p -59.72 -33.63 71.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.977 -1.077 . . . . 0.0 108.72 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 . 179.675 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 t 58.49 16.7 4.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.252 -0.905 . . . . 0.0 110.524 179.754 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 5' ' ' LYS . 41.9 mt-10 -76.01 2.01 13.87 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 108.575 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.25 -28.72 0.34 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.965 -0.459 . . . . 0.0 110.638 -178.516 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -40.01 81.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 0.0 108.564 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -70.01 -38.76 76.03 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.915 -0.491 . . . . 0.0 110.182 -179.9 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.01 82.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 111.136 -178.041 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.7 mtt -66.04 -40.01 90.65 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.936 -1.103 . . . . 0.0 109.751 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.59 -38.84 83.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 109.644 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.91 85.28 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.558 -0.714 . . . . 0.0 111.798 -178.083 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.708 HD11 HD11 ' B' ' 10' ' ' LEU . 20.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.76 -1.212 . . . . 0.0 108.137 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.98 -40.05 86.29 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.19 -47.22 86.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.678 -1.264 . . . . 0.0 111.124 -178.834 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -39.97 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.03 -1.044 . . . . 0.0 109.381 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 7.3 t80 -59.71 -37.32 78.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.154 -0.966 . . . . 0.0 109.026 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.4 -33.33 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.267 -0.896 . . . . 0.0 111.251 -179.047 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.99 -40.38 88.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.496 -1.378 . . . . 0.0 110.56 -178.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.96 -22.57 17.87 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.955 -1.091 . . . . 0.0 112.148 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.9 p -60.01 -40.01 87.78 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 120.872 -1.143 . . . . 0.0 108.474 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.33 55.79 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -60.01 -47.76 84.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.827 -1.396 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -109.23 -24.22 11.22 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.252 -0.905 . . . . 0.0 109.769 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.41 -16.71 4.08 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.3 m-20 -81.26 75.5 8.22 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.828 -1.395 . . . . 0.0 108.234 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.93 -40.03 95.52 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.36 -0.837 . . . . 0.0 109.671 -179.218 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -80.8 -16.55 53.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.809 . . . . 0.0 111.32 -179.131 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 94.6 mttt -134.65 150.84 50.7 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.878 -1.139 . . . . 0.0 110.919 -179.11 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.97 130.44 56.53 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 35.9 mtmm -97.32 151.6 19.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.102 -0.999 . . . . 0.0 108.574 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.17 -23.0 0.73 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 28' ' ' LYS . 80.9 p -77.18 -49.94 14.05 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.279 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 28' ' ' LYS . 78.2 mt-10 -61.65 -36.26 80.28 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.455 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -37.53 80.08 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HZ3' ' HB2' ' A' ' 37' ' ' ASN . 22.3 tptp -59.91 -40.08 87.59 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.183 -0.948 . . . . 0.0 109.341 -179.781 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 30' ' ' SER . 5.0 mp0 -69.97 -40.07 75.58 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 110.51 -179.001 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.1 tm? -61.06 -49.02 79.05 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.568 -1.332 . . . . 0.0 108.701 179.166 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.76 -44.62 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.669 -0.645 . . . . 0.0 112.551 -178.116 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' HB2' ' HZ3' ' A' ' 33' ' ' LYS . 11.7 t30 -79.09 -29.92 43.58 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.583 -1.323 . . . . 0.0 113.808 -175.439 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -101.42 -38.36 8.05 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.076 -1.015 . . . . 0.0 113.229 -176.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' C ' HD22 ' A' ' 40' ' ' LEU . 3.1 tp10 -79.41 -12.51 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.608 -1.308 . . . . 0.0 109.68 -177.441 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 40' ' ' LEU . 2.4 mm? -100.96 50.8 0.86 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.185 -0.947 . . . . 0.0 108.963 179.4 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LEU . 19.0 m -41.53 -56.21 2.62 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.201 -0.937 . . . . 0.0 110.384 -178.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -142.82 1.07 1.28 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.946 -1.096 . . . . 0.0 110.048 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -69.99 -37.74 75.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.02 -1.05 . . . . 0.0 109.754 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.584 ' CB ' HD12 ' A' ' 40' ' ' LEU . 21.6 tp -138.14 155.05 49.11 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.437 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -61.6 115.88 4.3 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.562 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -61.04 165.63 4.09 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.839 0.828 . . . . 0.0 109.812 179.265 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mm -87.14 138.97 18.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 109.748 -178.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.37 148.15 52.16 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.399 -0.813 . . . . 0.0 110.392 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -69.47 -21.83 63.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.605 -0.685 . . . . 0.0 110.12 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.441 HG13 ' HD1' ' X' ' 105' ' ' HIS . 94.1 t -60.02 -39.62 80.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.177 -0.952 . . . . 0.0 108.642 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.18 -34.26 68.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 110.172 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.21 -38.46 88.03 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 122.004 0.906 . . . . 0.0 109.462 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.23 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.624 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.23 -30.89 70.92 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.492 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.62 -39.98 86.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.145 -1.597 . . . . 0.0 106.744 178.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -81.26 -40.2 24.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.629 -0.669 . . . . 0.0 111.215 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' A' ' 76' ' ' PHE . 10.9 mt -88.48 -19.93 25.82 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.892 -1.13 . . . . 0.0 110.778 -178.211 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 46.8 t0 -82.08 60.62 4.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.712 -1.242 . . . . 0.0 107.779 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 79.7 mt-10 -59.96 -39.92 87.29 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.289 0.566 . . . . 0.0 109.573 -178.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 68.0 m-20 -76.16 -11.63 59.96 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.659 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.6 31.31 78.22 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 49.0 p-10 -106.33 3.01 27.09 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.215 -1.168 . . . . 0.0 109.431 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.571 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.65 6.39 88.3 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.3 mt-10 -138.21 129.24 27.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.712 -0.875 . . . . 0.0 109.052 -179.429 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.69 127.04 42.3 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' PHE . 89.8 m-20 -77.76 169.64 17.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.784 . . . . 0.0 110.875 -177.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 7.3 t80 -41.37 -42.36 2.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.68 -50.96 63.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.708 -0.62 . . . . 0.0 110.585 179.729 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 39.1 mt-10 -60.0 -42.04 93.39 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.349 -0.844 . . . . 0.0 111.278 -178.101 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.58 -36.76 83.41 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 109.303 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -39.92 87.98 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.499 0.666 . . . . 0.0 110.944 -178.044 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.98 69.94 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 120.897 -1.127 . . . . 0.0 111.436 -177.659 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.705 ' HB2' HD21 ' A' ' 60' ' ' LEU . 50.1 t80 -66.37 -36.54 83.12 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.967 -1.083 . . . . 0.0 110.074 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.38 -39.93 84.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.437 -0.789 . . . . 0.0 109.792 -179.664 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.455 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -66.16 -40.01 90.21 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.506 -179.077 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.8 mtp -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.541 -0.725 . . . . 0.0 111.188 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' A' ' 76' ' ' PHE . 94.7 t -69.54 -33.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.95 -1.094 . . . . 0.0 109.346 -179.852 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.0 m -59.9 -39.99 87.25 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -40.62 66.59 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.9 88.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.23 -0.919 . . . . 0.0 108.573 178.024 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.0 t -60.03 -31.38 69.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.026 . . . . 0.0 109.25 179.781 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CE1' ' CE2' ' B' ' 70' ' ' PHE . 86.1 t60 -60.02 -49.34 78.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 0.0 109.863 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -34.54 76.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.804 -1.185 . . . . 0.0 108.696 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -80.34 -21.38 42.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.539 -0.726 . . . . 0.0 109.732 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 44.4 t80 . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.239 -0.913 . . . . 0.0 109.026 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t 58.1 16.79 4.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.315 -0.865 . . . . 0.0 110.537 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 5' ' ' LYS . 41.9 mt-10 -75.9 1.62 14.64 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.715 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.15 -28.56 0.3 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.965 -0.46 . . . . 0.0 110.673 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -39.94 81.68 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.794 -1.191 . . . . 0.0 108.549 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.11 -38.79 75.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.9 -0.5 . . . . 0.0 110.279 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.95 83.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.252 -0.905 . . . . 0.0 111.207 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.31 -39.91 89.61 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.57 -39.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 O-C-N 121.66 -0.65 . . . . 0.0 109.666 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.0 85.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 0.0 111.857 -178.028 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.708 HD11 HD11 ' A' ' 10' ' ' LEU . 21.6 mt -60.05 -40.02 88.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.648 -1.283 . . . . 0.0 107.954 -179.236 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.98 -39.94 85.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.588 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 96.7 m-20 -60.17 -47.25 86.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.747 -1.221 . . . . 0.0 111.204 -178.852 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -40.03 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.965 -1.084 . . . . 0.0 109.394 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 7.4 t80 -59.53 -37.39 78.25 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.109 -0.995 . . . . 0.0 109.05 179.554 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.23 -33.48 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 111.27 -179.049 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.588 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 0.9 OUTLIER -60.04 -40.19 88.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.531 -1.355 . . . . 0.0 110.625 -178.917 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -95.03 -22.56 17.85 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.957 -1.089 . . . . 0.0 112.181 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.93 -40.04 87.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.521 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.34 13.11 56.69 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -60.05 -47.71 84.72 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.841 -1.388 . . . . 0.0 110.78 -178.54 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.13 -24.38 11.18 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.25 -0.906 . . . . 0.0 109.801 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 -16.96 4.01 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 -81.05 75.42 8.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.358 . . . . 0.0 108.301 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.8 -40.03 95.67 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.424 -0.798 . . . . 0.0 109.655 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -80.99 -16.57 53.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.363 -0.836 . . . . 0.0 111.342 -179.127 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 23' ' ' ASP . 95.6 mttt -134.7 150.57 50.63 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.857 -1.152 . . . . 0.0 110.861 -179.165 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.56 130.93 56.27 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' B' ' 31' ' ' GLU . 36.2 mtmm -97.59 151.89 19.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.091 -1.006 . . . . 0.0 108.515 179.276 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -48.39 -22.94 0.79 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' B' ' 28' ' ' LYS . 79.3 p -77.13 -50.02 13.94 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.234 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' B' ' 28' ' ' LYS . 82.9 mt-10 -61.51 -36.36 80.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.468 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.05 -37.57 80.23 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.453 ' HZ3' ' HB2' ' B' ' 37' ' ' ASN . 21.3 tptp -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.192 -0.943 . . . . 0.0 109.303 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE1' ' O ' ' B' ' 30' ' ' SER . 5.0 mp0 -70.05 -40.02 75.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 110.577 -179.172 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.712 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.86 -49.23 78.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.455 -1.403 . . . . 0.0 108.704 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.66 -44.41 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.677 -0.639 . . . . 0.0 112.643 -178.077 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.453 ' HB2' ' HZ3' ' B' ' 33' ' ' LYS . 11.3 t30 -79.08 -30.58 44.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.49 -1.381 . . . . 0.0 113.723 -175.371 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -101.17 -37.89 8.36 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 121.088 -1.008 . . . . 0.0 113.359 -176.727 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.507 ' C ' HD22 ' B' ' 40' ' ' LEU . 3.0 tp10 -79.6 -12.46 59.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.524 -1.36 . . . . 0.0 109.73 -177.629 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.638 HD22 ' N ' ' B' ' 40' ' ' LEU . 2.3 mm? -101.03 50.89 0.86 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.266 -0.896 . . . . 0.0 108.843 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' B' ' 40' ' ' LEU . 18.6 m -41.68 -56.29 2.68 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.258 -0.901 . . . . 0.0 110.232 -178.892 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -142.74 1.32 1.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.93 -1.106 . . . . 0.0 110.036 179.072 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -69.95 -38.04 76.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.031 -1.043 . . . . 0.0 109.701 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.557 ' CB ' HD12 ' B' ' 40' ' ' LEU . 21.1 tp -138.28 155.2 48.84 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -61.45 115.49 3.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.922 -1.111 . . . . 0.0 108.646 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -60.93 165.5 4.05 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.857 0.837 . . . . 0.0 109.699 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -87.09 138.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -106.86 -22.82 12.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 109.724 -179.009 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.29 148.25 52.1 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.394 -0.816 . . . . 0.0 110.433 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -69.38 -21.94 63.75 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.667 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.4 pt-20 -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.416 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 81.5 t -60.08 -39.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.03 -1.044 . . . . 0.0 108.519 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.84 -34.32 69.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 O-C-N 121.891 -0.506 . . . . 0.0 110.195 -179.402 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.32 -38.36 87.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.94 0.876 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -69.98 -39.16 76.11 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.19 -30.8 51.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.58 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.99 -30.92 71.17 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.514 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.56 -39.98 85.84 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.1 m -81.57 -39.94 23.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.55 -0.719 . . . . 0.0 111.234 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' B' ' 76' ' ' PHE . 10.8 mt -88.52 -20.24 25.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.884 -1.135 . . . . 0.0 110.815 -178.359 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.8 t0 -81.8 60.54 4.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 107.824 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.49 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 79.4 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.279 0.561 . . . . 0.0 109.5 -178.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 67.8 m-20 -75.83 -11.58 60.01 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.217 -0.927 . . . . 0.0 108.54 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.39 31.26 78.38 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 49.0 p-10 -106.22 3.15 27.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.204 -1.174 . . . . 0.0 109.366 -179.64 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.557 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.5 6.7 88.12 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -179.219 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.7 mt-10 -138.59 129.68 26.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.736 -0.861 . . . . 0.0 108.95 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.99 126.67 42.29 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.24 169.17 18.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.492 -0.755 . . . . 0.0 110.952 -178.065 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.558 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 7.5 t80 -41.05 -42.28 1.91 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.94 -50.61 63.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 39.1 mt-10 -60.44 -41.8 94.8 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.36 -0.838 . . . . 0.0 111.168 -177.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.92 -36.53 82.45 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.018 -1.051 . . . . 0.0 109.234 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.44 -39.71 88.49 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.5 0.666 . . . . 0.0 110.857 -178.05 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.09 70.28 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.917 -1.114 . . . . 0.0 111.45 -177.731 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.682 ' HB2' HD21 ' B' ' 60' ' ' LEU . 48.9 t80 -66.63 -36.17 81.93 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.933 -1.105 . . . . 0.0 110.079 -179.543 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.94 85.13 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 O-C-N 121.446 -0.784 . . . . 0.0 109.727 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.456 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -66.27 -39.97 89.8 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.111 -1.036 . . . . 0.0 109.521 -179.011 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 34.4 mtp -64.26 -40.95 97.05 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.532 -0.73 . . . . 0.0 111.251 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.453 HG21 ' CE2' ' B' ' 76' ' ' PHE . 97.0 t -69.52 -33.72 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 -179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.07 -39.96 87.86 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -40.34 65.79 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.02 89.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.187 -0.946 . . . . 0.0 108.496 177.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.8 t -59.96 -31.39 69.83 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.02 -1.05 . . . . 0.0 109.322 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.455 ' CE1' ' CE2' ' A' ' 70' ' ' PHE . 86.1 t60 -59.94 -49.54 77.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.977 -1.077 . . . . 0.0 109.884 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -34.66 76.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.724 -1.235 . . . . 0.0 108.717 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.3 -21.38 42.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.463 -0.773 . . . . 0.0 109.74 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 44.4 t80 . . . . . 0 N--CA 1.487 1.423 0 O-C-N 121.276 -0.89 . . . . 0.0 109.071 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.441 ' HD1' HG13 ' A' ' 52' ' ' VAL . 69.8 t60 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.179 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.56 -33.66 74.24 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.98 -43.21 95.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.314 -178.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.526 ' CD2' ' NZ ' ' X' ' 111' ' ' LYS . 2.9 tp -73.07 -29.19 62.77 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.103 -0.998 . . . . 0.0 109.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.537 ' O ' ' N ' ' X' ' 112' ' ' THR . 30.5 mmt -56.93 -24.23 51.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.992 -1.067 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 6.4 p90 -40.01 -46.99 2.2 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.201 -0.937 . . . . 0.0 109.624 -179.274 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.612 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 24.5 pttt -69.7 -32.9 71.76 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.186 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.537 ' N ' ' O ' ' X' ' 109' ' ' MET . 89.4 m -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.592 -0.692 . . . . 0.0 109.16 -178.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.359 -0.838 . . . . 0.0 . -179.826 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 109.277 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.49 -34.03 74.79 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.51 -0.744 . . . . 0.0 109.042 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -59.96 -43.22 95.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 110.425 -178.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.527 ' CD2' ' NZ ' ' Y' ' 111' ' ' LYS . 3.3 tp -73.13 -29.02 62.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.046 -1.034 . . . . 0.0 109.26 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.529 ' O ' ' N ' ' Y' ' 112' ' ' THR . 30.4 mmt -57.12 -24.23 52.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.083 -1.011 . . . . 0.0 110.608 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 6.3 p90 -39.94 -47.21 2.18 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.155 -0.966 . . . . 0.0 109.652 -179.237 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 25.2 pttt -69.19 -34.01 74.25 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.529 ' N ' ' O ' ' Y' ' 109' ' ' MET . 84.9 m -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.653 -0.654 . . . . 0.0 109.381 -179.223 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.535 -0.728 . . . . 0.0 . -179.474 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.573 ' H ' HE22 ' B' ' 16' ' ' GLN . 1.4 m 60.0 32.78 21.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -75.93 23.4 0.13 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.153 -0.967 . . . . 0.0 109.406 179.607 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 1' ' ' SER . 56.1 tp -59.65 -26.81 65.82 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.916 -0.713 . . . . 0.0 109.083 -179.767 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.48 -39.98 92.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.171 -0.956 . . . . 0.0 108.988 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -68.3 -40.02 81.88 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.926 -0.484 . . . . 0.0 110.812 -178.644 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.04 74.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 111.353 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.36 -39.93 89.44 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.041 -1.037 . . . . 0.0 109.683 -179.18 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.17 -37.05 78.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.76 88.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.802 -0.561 . . . . 0.0 111.47 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CE ' ' A' ' 74' ' ' MET . 39.3 mt -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.667 -1.271 . . . . 0.0 108.238 -179.052 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.96 -37.3 72.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 121.793 -0.567 . . . . 0.0 110.477 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.11 -43.48 98.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.016 -1.053 . . . . 0.0 111.638 -178.342 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -39.89 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.04 -1.038 . . . . 0.0 109.094 -178.773 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.08 -39.29 69.13 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.98 74.11 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.424 -0.798 . . . . 0.0 110.542 -179.413 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.49 HE22 ' H ' ' B' ' 1' ' ' SER . 30.7 mt-30 -59.95 -40.0 87.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 111.421 -178.446 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.89 -24.96 17.52 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.791 -1.193 . . . . 0.0 112.207 -178.158 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 p -60.2 -40.08 88.82 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.761 -1.212 . . . . 0.0 109.314 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.2 9.1 67.88 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.93 -50.08 75.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.939 -1.33 . . . . 0.0 111.398 -178.347 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.19 13.47 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 -179.256 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 123.58 -20.66 7.32 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.555 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 26' ' ' LYS . 21.2 m-20 -73.01 62.66 0.63 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.582 -1.54 . . . . 0.0 108.36 179.622 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' GLY . 34.3 ttpt -60.11 -38.14 82.09 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.137 -179.475 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.75 -22.02 54.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.186 -0.946 . . . . 0.0 111.377 -178.361 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 23' ' ' ASP . 56.0 pttt -148.5 159.67 43.83 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.555 -1.34 . . . . 0.0 110.879 -178.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 mt -107.84 137.52 45.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.736 -0.602 . . . . 0.0 109.785 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 30' ' ' SER . 24.5 mtpp -97.64 154.12 17.77 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.5 ptpp? -49.43 -23.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.267 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 28' ' ' LYS . 95.0 p -76.3 -47.26 24.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.449 179.617 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 94.7 mt-10 -68.82 -35.69 77.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.356 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.7 tp -60.01 -40.27 88.65 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' NZ ' ' OD1' ' A' ' 37' ' ' ASN . 63.7 tttm -60.13 -40.09 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.351 -0.843 . . . . 0.0 109.925 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 78.1 mm-40 -60.95 -40.02 91.69 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.0 -179.391 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.29 -50.08 71.5 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.924 -1.11 . . . . 0.0 109.213 179.139 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 47' ' ' ILE . 95.7 mt -68.53 -45.93 81.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.497 -0.752 . . . . 0.0 111.976 -177.799 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 47' ' ' ILE . 1.9 m-80 -71.2 -40.02 71.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.85 -1.156 . . . . 0.0 111.773 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.418 ' ND2' ' OE1' ' A' ' 34' ' ' GLU . 24.5 m-20 -100.28 -32.95 10.61 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.181 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -79.99 -15.77 56.57 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 119.929 -1.732 . . . . 0.0 108.941 -178.198 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 44' ' ' LEU . 29.2 mt -116.18 61.06 0.72 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.078 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.2 p -50.11 -57.16 8.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.211 -0.931 . . . . 0.0 110.211 -179.009 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -139.65 0.83 1.86 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.148 -0.97 . . . . 0.0 109.765 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.07 -36.87 75.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.268 -0.895 . . . . 0.0 109.831 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 40' ' ' LEU . 6.1 tp -134.97 160.77 37.25 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.04 112.94 2.08 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.256 -0.977 . . . . 0.0 109.208 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.81 167.2 11.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.863 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 36' ' ' ILE . 48.6 mt -106.5 129.86 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.936 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -104.21 -22.25 13.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.381 -0.824 . . . . 0.0 110.121 -178.024 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -117.9 139.97 50.38 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.347 -0.846 . . . . 0.0 109.699 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.601 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -66.65 -19.93 65.88 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.299 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -60.39 -39.92 89.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 -179.788 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.08 -39.25 79.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.63 -37.42 79.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.354 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 50.3 t0 -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.145 0.974 . . . . 0.0 109.4 -179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.73 -39.97 84.21 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 122.084 0.945 . . . . 0.0 108.477 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.93 -27.46 37.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.34 -39.77 89.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.549 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -57.37 -39.92 77.03 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.234 -1.541 . . . . 0.0 107.759 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -76.96 -45.18 28.55 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.535 -0.728 . . . . 0.0 111.65 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -90.15 -16.09 30.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.724 -1.235 . . . . 0.0 110.956 -178.183 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.7 t0 -81.84 63.29 6.02 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 178.711 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -60.04 -40.01 87.91 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.085 -177.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -82.05 -6.62 59.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 0.0 109.2 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.02 37.6 95.21 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.49 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 36.5 p-10 -106.31 3.35 27.49 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.117 -1.225 . . . . 0.0 109.423 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 5.94 89.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 61.5 mt-10 -140.02 136.43 33.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.584 -0.95 . . . . 0.0 108.49 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.17 48.0 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.882 -1.136 . . . . 0.0 108.733 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.79 161.21 30.27 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.583 -0.698 . . . . 0.0 109.263 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.38 -34.4 47.71 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.088 -1.007 . . . . 0.0 108.423 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -70.03 -37.58 75.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.483 -0.76 . . . . 0.0 109.952 179.148 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.38 -43.39 86.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.445 -1.409 . . . . 0.0 109.084 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.06 -24.56 63.27 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.69 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.454 ' CE ' HD13 ' A' ' 10' ' ' LEU . 8.2 tpt -60.02 -39.09 84.65 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.99 -35.17 76.41 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.243 -0.91 . . . . 0.0 110.31 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -61.26 -39.96 92.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.911 . . . . 0.0 110.19 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.46 -38.42 80.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.614 -0.679 . . . . 0.0 110.033 -178.688 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -40.02 95.42 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.915 -1.114 . . . . 0.0 109.388 -179.177 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.4 mtp -68.85 -40.28 79.47 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.428 -0.795 . . . . 0.0 111.679 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG22 ' NZ ' ' X' ' 111' ' ' LYS . 61.2 t -66.85 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.974 -1.079 . . . . 0.0 109.92 -179.44 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.15 -39.89 87.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -37.5 50.68 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.497 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.99 85.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.909 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.9 t -60.05 -38.53 83.06 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.491 -0.755 . . . . 0.0 109.674 -179.77 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.97 -40.0 87.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 109.033 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.54 -37.07 80.02 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 108.885 179.036 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -89.02 -24.29 22.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.564 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.7 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.496 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.4 m 60.05 32.75 21.16 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.117 -0.99 . . . . 0.0 110.134 179.319 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -75.98 23.74 0.13 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 179.698 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 1' ' ' SER . 54.1 tp -59.93 -26.65 66.12 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.08 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.54 -40.02 92.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.13 -0.981 . . . . 0.0 108.944 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.29 -40.04 81.93 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.893 -0.505 . . . . 0.0 110.793 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.91 74.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.0 111.328 -178.374 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.43 -39.98 89.24 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.041 -1.037 . . . . 0.0 109.668 -179.233 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.02 -37.19 78.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.89 88.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.783 -0.573 . . . . 0.0 111.484 -178.577 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.46 HD13 ' CE ' ' B' ' 74' ' ' MET . 41.4 mt -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.72 -1.238 . . . . 0.0 108.22 -178.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.04 -37.4 72.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.796 -0.565 . . . . 0.0 110.432 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.07 -43.51 98.67 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.93 -1.106 . . . . 0.0 111.648 -178.309 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.63 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 109.166 -178.816 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.31 -39.42 69.91 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.88 73.96 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.371 -0.831 . . . . 0.0 110.476 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.573 HE22 ' H ' ' A' ' 1' ' ' SER . 74.8 mt-30 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.874 -1.141 . . . . 0.0 111.357 -178.433 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -93.86 -24.9 17.57 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.827 -1.171 . . . . 0.0 112.22 -178.127 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.29 -39.96 88.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.796 -1.19 . . . . 0.0 109.311 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.28 9.13 68.05 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.825 -1.397 . . . . 0.0 111.416 -178.292 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.23 13.46 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.336 -0.853 . . . . 0.0 110.123 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 123.69 -20.72 7.26 Favored Glycine 0 N--CA 1.502 3.048 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.592 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 26' ' ' LYS . 21.1 m-20 -72.96 62.56 0.61 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.516 -1.579 . . . . 0.0 108.371 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 22' ' ' GLY . 33.8 ttpt -60.07 -38.17 82.06 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.408 -0.807 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 -21.83 54.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.202 -0.936 . . . . 0.0 111.46 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.3 pttt -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.582 -1.324 . . . . 0.0 110.903 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.7 mt -107.87 137.5 45.77 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.801 -0.562 . . . . 0.0 109.82 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' B' ' 30' ' ' SER . 24.5 mtpp -97.6 154.15 17.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.831 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -49.45 -23.15 1.41 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 28' ' ' LYS . 87.3 p -76.36 -47.19 24.27 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 93.5 mt-10 -68.96 -35.67 77.03 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.361 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -40.31 88.84 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.15 -39.98 88.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 110.005 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.417 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 77.9 mm-40 -61.12 -40.02 92.19 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.905 . . . . 0.0 108.952 -179.32 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.12 -49.96 72.34 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.917 -1.114 . . . . 0.0 109.258 178.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' B' ' 47' ' ' ILE . 92.2 mt -68.83 -45.67 80.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 112.018 -177.717 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 47' ' ' ILE . 1.9 m-80 -71.31 -39.99 71.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.855 -1.153 . . . . 0.0 111.738 -178.563 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.417 ' ND2' ' OE1' ' B' ' 34' ' ' GLU . 23.9 m-20 -100.46 -32.96 10.55 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -176.138 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -80.01 -15.49 57.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 119.927 -1.733 . . . . 0.0 109.015 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' B' ' 44' ' ' LEU . 31.2 mt -116.23 60.83 0.72 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.046 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 98.4 p -50.04 -57.17 8.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.172 -178.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -139.67 0.74 1.85 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.182 -0.949 . . . . 0.0 109.743 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.93 -36.83 75.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.469 ' HB3' HD13 ' B' ' 40' ' ' LEU . 5.5 tp -135.14 160.57 37.95 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -59.89 113.04 2.09 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.157 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.85 167.18 11.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 109.895 179.279 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.43 ' CD1' HG21 ' B' ' 36' ' ' ILE . 47.2 mt -106.42 129.84 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -104.12 -22.28 13.44 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.456 -0.777 . . . . 0.0 110.225 -178.122 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.78 140.0 50.3 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.447 -0.783 . . . . 0.0 109.749 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.605 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -66.75 -19.96 65.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.301 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.6 OUTLIER -60.25 -40.04 88.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.829 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.04 -39.31 79.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.737 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.55 -37.39 79.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 50.3 t0 -61.75 -39.59 92.13 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 122.04 0.924 . . . . 0.0 109.335 -179.846 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.65 -39.99 84.57 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.09 -27.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.537 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.32 -39.75 89.5 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.463 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.36 -39.95 77.06 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 120.301 -1.499 . . . . 0.0 107.751 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -77.07 -44.88 29.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.497 -0.752 . . . . 0.0 111.721 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -90.33 -16.17 29.72 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.688 -1.257 . . . . 0.0 110.915 -178.267 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -81.79 63.26 5.97 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.722 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.94 -40.0 87.45 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.149 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -82.18 -6.55 59.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.2 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.47 95.0 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.987 -1.102 . . . . 0.0 110.533 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 36.6 p-10 -106.22 3.44 27.81 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -1.223 . . . . 0.0 109.419 179.812 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.03 5.81 89.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.7 mt-10 -139.98 136.41 33.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.969 . . . . 0.0 108.444 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.18 47.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.833 -1.167 . . . . 0.0 108.812 179.716 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 161.29 30.19 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.577 -0.702 . . . . 0.0 109.232 -179.276 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.48 -34.22 48.23 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.13 -0.981 . . . . 0.0 108.368 -179.325 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -70.08 -37.6 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.52 -0.737 . . . . 0.0 109.978 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 -43.46 85.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.479 -1.388 . . . . 0.0 109.036 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -70.0 -24.57 63.33 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.723 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.46 ' CE ' HD13 ' B' ' 10' ' ' LEU . 8.3 tpt -60.05 -39.05 84.62 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.895 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.16 76.4 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 110.331 -179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.18 -40.0 92.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.267 -0.896 . . . . 0.0 110.165 -179.512 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.418 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -61.51 -38.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.609 -0.682 . . . . 0.0 110.097 -178.684 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.408 -179.325 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.9 mtp -69.12 -40.05 78.55 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.491 -0.756 . . . . 0.0 111.671 -178.412 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.99 -39.01 82.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.934 -1.104 . . . . 0.0 109.882 -179.436 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.625 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -37.4 50.62 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -179.495 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.78 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.878 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.8 t -59.97 -38.79 83.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.89 -40.05 87.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.119 -0.988 . . . . 0.0 109.065 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 108.885 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.14 -24.25 22.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.522 -0.736 . . . . 0.0 109.55 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.7 t80 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.771 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 55.9 mtt-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 121.771 0.796 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.379 -0.825 . . . . 0.0 108.89 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -59.49 -25.99 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.94 -40.05 87.63 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.626 HD21 ' HZ1' ' X' ' 111' ' ' LYS . 2.9 tp -65.38 -37.08 85.91 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.757 0.789 . . . . 0.0 109.437 178.712 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -51.2 -24.09 3.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.765 -1.209 . . . . 0.0 109.933 -179.366 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 5.7 p90 -39.77 -47.59 2.1 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.185 -0.947 . . . . 0.0 109.74 -178.402 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.626 ' HZ1' HD21 ' X' ' 108' ' ' LEU . 33.8 pttt -69.97 -33.01 71.53 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.237 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.532 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.4 m -60.03 -37.59 80.23 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.612 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 . 179.962 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' Y' ' 104' ' ' ARG . 60.2 mtt-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.756 0.789 . . . . 0.0 109.15 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -60.18 -39.94 88.23 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.383 -0.823 . . . . 0.0 108.889 179.431 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -59.52 -25.93 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 178.662 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.626 HD21 ' NZ ' ' Y' ' 111' ' ' LYS . 2.7 tp -65.47 -36.82 85.03 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 121.85 0.833 . . . . 0.0 109.504 178.783 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -51.51 -23.93 4.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.702 -1.249 . . . . 0.0 109.909 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 5.8 p90 -39.87 -47.35 2.15 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.217 -0.927 . . . . 0.0 109.767 -178.484 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.626 ' NZ ' HD21 ' Y' ' 108' ' ' LEU . 32.0 pttt -70.08 -33.2 71.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.53 ' N ' ' O ' ' Y' ' 109' ' ' MET . 49.1 m -60.06 -36.95 78.45 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.578 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.48 -0.763 . . . . 0.0 . 179.907 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.3 t 57.86 29.13 17.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.303 -0.873 . . . . 0.0 109.675 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 2' ' ' GLU . 11.2 pt-20 -76.13 12.19 1.24 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.421 -0.799 . . . . 0.0 108.889 179.276 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -60.03 -33.68 72.34 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.592 -0.693 . . . . 0.0 110.498 -178.415 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.11 -40.04 88.29 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.76 -1.212 . . . . 0.0 110.562 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -68.01 -39.63 83.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.975 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.05 89.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 0.0 111.172 -178.783 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.6 mtt -65.02 -39.95 94.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.84 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 121.377 0.608 . . . . 0.0 110.334 -179.061 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -40.04 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.418 -0.801 . . . . 0.0 111.682 -177.714 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.918 -1.114 . . . . 0.0 108.398 -178.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.56 -39.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.697 -0.627 . . . . 0.0 110.375 179.228 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.706 -1.246 . . . . 0.0 111.259 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -34.45 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.019 -1.051 . . . . 0.0 110.26 -179.154 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' A' ' 18' ' ' SER . 87.4 t80 -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.484 -1.385 . . . . 0.0 107.997 -179.548 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -77.99 -22.1 49.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 179.193 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -53.09 -45.88 68.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 110.5 -178.148 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 27' ' ' LEU . 16.5 p90 -116.19 -25.15 7.69 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.598 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 24.1 m -62.68 -47.12 85.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.649 -1.282 . . . . 0.0 110.844 -178.85 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.16 18.58 3.3 Favored Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.052 -1.071 . . . . 0.0 110.922 -178.706 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -60.11 -42.62 95.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.81 -1.406 . . . . 0.0 110.638 -179.451 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -112.56 -38.75 4.54 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.185 -0.947 . . . . 0.0 109.607 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 156.17 -6.55 0.23 Allowed Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -71.82 52.33 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.464 -1.609 . . . . 0.0 108.106 179.709 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' GLY . 32.9 ttpt -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.21 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -88.14 -4.97 58.68 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 111.057 -178.808 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 24.7 pttm -149.22 150.27 32.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.883 -1.135 . . . . 0.0 108.92 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 17' ' ' TYR . 7.0 tp -113.55 128.38 56.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 -179.012 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.9 mttt -95.06 149.79 20.88 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.003 -1.06 . . . . 0.0 109.051 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -48.51 -21.5 0.57 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.476 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.2 t -70.93 -53.7 14.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.595 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.7 -32.41 74.07 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.516 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.03 -40.14 88.31 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' A' ' 47' ' ' ILE . 43.6 tptt -62.55 -40.07 95.64 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.585 -0.697 . . . . 0.0 110.123 179.033 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.47 -39.93 95.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 110.472 -178.523 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 17' ' ' TYR . 1.3 tt -68.94 -44.84 72.22 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.618 -1.301 . . . . 0.0 109.097 179.641 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG21 ' CD1' ' A' ' 47' ' ' ILE . 87.8 mt -71.9 -41.07 69.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 112.369 -177.121 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.18 -31.23 27.23 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.3 -1.5 . . . . 0.0 111.516 -178.174 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -99.92 -39.29 8.24 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.434 -0.791 . . . . 0.0 112.97 -177.545 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -90.04 -22.32 21.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.453 -1.404 . . . . 0.0 110.387 -177.794 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 mt -114.5 47.5 1.23 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.4 -0.812 . . . . 0.0 108.948 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -64.73 -41.24 96.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.188 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.65 -13.05 2.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.127 -0.983 . . . . 0.0 110.351 -178.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -70.04 -38.09 75.75 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.035 -1.04 . . . . 0.0 109.891 -179.131 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.7 tp -130.39 -144.6 0.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.345 -0.847 . . . . 0.0 109.609 -179.746 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -93.08 107.56 19.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.554 -0.716 . . . . 0.0 109.29 -179.883 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -67.22 133.63 50.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 179.036 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CD1' HG21 ' A' ' 36' ' ' ILE . 66.4 mt -89.44 139.88 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.75 -1.219 . . . . 0.0 108.835 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.31 -24.56 10.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.815 -0.553 . . . . 0.0 110.773 -177.78 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -119.23 145.52 45.99 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.427 -0.796 . . . . 0.0 110.211 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.99 -21.52 64.14 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.702 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -63.31 -39.79 95.54 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.38 -0.825 . . . . 0.0 110.077 -179.703 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -61.3 -40.0 84.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.47 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -61.6 -39.46 91.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.931 -179.422 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 122.01 0.91 . . . . 0.0 108.856 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.22 -33.15 61.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.402 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.9 mmm -70.99 -28.89 64.76 Favored 'General case' 0 C--O 1.198 -1.65 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.719 179.613 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.55 -39.8 81.23 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -74.71 -44.61 49.17 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.213 178.862 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.7 mt -89.25 -14.91 34.82 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.893 -1.129 . . . . 0.0 111.022 -178.125 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.8 t0 -81.19 62.61 5.2 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 178.768 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 77.5 mt-10 -59.99 -39.72 86.71 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.623 -178.066 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -80.95 -7.35 59.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 36.93 92.14 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.84 178.595 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 40.1 p-10 -107.36 2.28 24.33 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.038 -1.272 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.89 1.59 89.76 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.39 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.8 mt-10 -134.21 136.46 43.7 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.91 124.78 45.6 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.85 -1.156 . . . . 0.0 108.649 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -63.3 160.48 15.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.179 -0.951 . . . . 0.0 109.183 -179.072 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.8 t80 -48.14 -38.64 18.38 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.144 -0.972 . . . . 0.0 108.79 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.96 -39.6 75.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.705 -0.622 . . . . 0.0 110.219 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.1 mt-10 -62.81 -46.09 89.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 109.544 -179.405 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.47 -25.77 63.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 108.501 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.7 tpt -59.98 -39.17 84.77 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.049 -179.362 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.919 -1.113 . . . . 0.0 109.715 179.775 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -63.97 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.739 -0.6 . . . . 0.0 109.701 -179.224 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -66.14 -42.6 88.87 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.32 -178.521 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -69.95 -40.32 75.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.373 -1.454 . . . . 0.0 111.387 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 76' ' ' PHE . 41.1 t -64.53 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.206 -178.624 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.93 -40.09 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.542 HG23 ' CE2' ' B' ' 70' ' ' PHE . 0.7 OUTLIER -55.38 -35.77 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.344 -0.847 . . . . 0.0 109.073 178.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.99 -36.25 76.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.0 109.669 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.88 -1.137 . . . . 0.0 108.992 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.16 -40.11 96.6 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.288 -0.883 . . . . 0.0 109.168 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -77.46 -45.83 24.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.022 -179.869 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.3 m-30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 99.8 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.293 0.568 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.431 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.2 t 58.04 28.71 16.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.24 -0.913 . . . . 0.0 109.733 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' B' ' 2' ' ' GLU . 11.1 pt-20 -75.77 12.12 1.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 108.924 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -60.01 -33.6 72.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.538 -0.726 . . . . 0.0 110.503 -178.319 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.03 -40.07 88.07 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.22 . . . . 0.0 110.574 -179.551 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.2 -39.61 82.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.248 -0.908 . . . . 0.0 109.92 -179.13 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.94 89.36 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.357 -0.839 . . . . 0.0 111.148 -178.731 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -65.06 -39.93 93.96 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.03 -1.044 . . . . 0.0 110.211 -179.07 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.91 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-O 121.411 0.624 . . . . 0.0 110.396 -179.056 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.98 75.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.421 -0.8 . . . . 0.0 111.608 -177.694 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -39.99 87.55 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.864 -1.147 . . . . 0.0 108.326 -179.017 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.47 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.309 179.212 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.32 -40.03 96.19 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.719 -1.238 . . . . 0.0 111.259 -178.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -34.57 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.974 -1.079 . . . . 0.0 110.272 -179.084 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.95 -39.97 87.41 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.539 -1.35 . . . . 0.0 107.992 -179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -78.17 -22.12 49.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.43 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -53.08 -45.71 68.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.148 -0.97 . . . . 0.0 110.488 -178.182 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.452 ' CE2' HD11 ' B' ' 27' ' ' LEU . 16.1 p90 -116.31 -25.11 7.65 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 121.219 -0.926 . . . . 0.0 111.588 -179.027 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.0 m -62.73 -47.18 84.69 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.688 -1.257 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.02 18.55 3.21 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 120.066 -1.064 . . . . 0.0 110.948 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -60.11 -42.46 94.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.815 -1.403 . . . . 0.0 110.725 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -112.71 -39.22 4.36 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.078 -1.014 . . . . 0.0 109.537 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 156.7 -6.57 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.759 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -71.67 51.95 0.2 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.509 -1.583 . . . . 0.0 108.198 179.746 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 22' ' ' GLY . 32.6 ttpt -66.54 -40.01 88.86 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 110.522 -179.275 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -88.32 -4.74 58.63 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.886 -1.133 . . . . 0.0 111.073 -178.771 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 23' ' ' ASP . 24.6 pttm -149.36 150.2 32.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.838 -1.164 . . . . 0.0 108.869 179.137 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' B' ' 17' ' ' TYR . 7.1 tp -113.52 128.52 56.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.293 -0.879 . . . . 0.0 109.134 -179.063 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' C ' ' N ' ' B' ' 30' ' ' SER . 96.2 mttt -95.1 149.47 21.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.068 179.799 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -48.36 -21.43 0.53 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.477 ' N ' ' C ' ' B' ' 28' ' ' LYS . 40.6 t -70.97 -53.85 13.41 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.586 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -32.65 74.36 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.04 -39.98 87.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.578 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.512 ' HZ3' HG22 ' B' ' 47' ' ' ILE . 42.9 tptt -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.577 -0.702 . . . . 0.0 110.087 178.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 110.471 -178.526 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.45 HD12 ' CE1' ' B' ' 17' ' ' TYR . 1.3 tt -68.85 -45.12 71.89 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.483 -1.385 . . . . 0.0 109.112 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' B' ' 47' ' ' ILE . 86.7 mt -71.69 -40.89 70.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 112.419 -177.229 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.38 -31.06 26.92 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.201 -1.562 . . . . 0.0 111.531 -178.186 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -100.02 -39.23 8.23 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.454 -0.778 . . . . 0.0 112.98 -177.563 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.16 -22.21 21.83 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.38 -1.45 . . . . 0.0 110.38 -177.782 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 mt -114.6 47.73 1.21 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.407 -0.808 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -65.24 -40.67 94.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 111.021 -179.021 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.94 -13.38 2.49 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.189 -0.944 . . . . 0.0 110.343 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -69.79 -38.07 76.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.024 -1.048 . . . . 0.0 109.843 -179.142 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.446 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.7 tp -130.41 -144.63 0.27 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.356 -0.84 . . . . 0.0 109.646 -179.704 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -93.18 107.52 19.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.489 -0.757 . . . . 0.0 109.298 -179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.26 133.67 50.14 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.12 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' B' ' 36' ' ' ILE . 64.7 mt -89.36 139.71 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.781 -1.2 . . . . 0.0 108.835 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.09 -24.8 10.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.868 -0.52 . . . . 0.0 110.718 -177.746 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.456 -0.778 . . . . 0.0 110.33 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.56 -21.94 64.51 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.572 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.412 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -62.96 -39.95 96.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.411 -0.806 . . . . 0.0 110.076 -179.706 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.92 -40.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 36.5 t -61.37 -39.96 84.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.076 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.5 t0 -61.59 -39.54 91.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.507 -0.745 . . . . 0.0 109.89 -179.507 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.25 -40.05 89.91 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 122.039 0.923 . . . . 0.0 108.829 -179.261 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.29 -33.25 61.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.605 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.1 mmm -70.65 -29.03 65.27 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.692 179.527 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.7 -39.61 81.25 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.6 m -75.0 -44.42 48.25 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.116 178.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 41.0 mt -89.23 -14.98 34.72 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.937 -1.102 . . . . 0.0 111.023 -178.157 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -81.18 62.6 5.19 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 77.2 mt-10 -60.05 -39.85 87.37 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.612 -178.059 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -80.74 -7.48 59.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.281 179.301 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.89 91.96 Favored Glycine 0 N--CA 1.498 2.797 0 C-N-CA 119.965 -1.112 . . . . 0.0 110.835 178.62 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 40.2 p-10 -107.38 2.5 24.44 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.05 -1.265 . . . . 0.0 110.202 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.504 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.47 1.98 89.14 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.469 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.2 mt-10 -134.56 136.19 42.83 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.65 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 124.75 45.24 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.858 -1.151 . . . . 0.0 108.678 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 51.5 t0 -63.36 160.3 16.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.246 -0.909 . . . . 0.0 109.231 -179.104 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 t80 -48.03 -38.52 17.39 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.167 -0.958 . . . . 0.0 108.815 -179.89 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -70.0 -39.82 75.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.594 -0.691 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.1 mt-10 -62.56 -46.22 89.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.744 -1.223 . . . . 0.0 109.619 -179.473 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.39 -25.82 63.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.205 -0.934 . . . . 0.0 108.532 178.95 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.4 tpt -59.99 -39.22 84.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -69.75 -30.77 68.44 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.118 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' B' ' 80' ' ' VAL . 86.4 t80 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.921 -1.112 . . . . 0.0 109.81 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -64.02 -37.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 CA-C-O 121.357 0.599 . . . . 0.0 109.645 -179.1 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 0.8 OUTLIER -65.98 -42.59 89.64 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.312 -178.593 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.367 -1.458 . . . . 0.0 111.431 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 76' ' ' PHE . 40.7 t -64.32 -36.18 76.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 121.148 -0.97 . . . . 0.0 109.299 -178.707 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.535 HG23 ' CE2' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.27 -35.74 65.35 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 109.047 178.871 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.94 -36.44 77.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 109.603 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.96 -40.23 88.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.81 -1.182 . . . . 0.0 108.871 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.91 -40.29 97.13 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.231 -0.918 . . . . 0.0 109.118 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.29 -46.0 24.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 110.021 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 88' ' ' PHE . 1.3 m-30 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.536 ' O ' ' SD ' ' X' ' 109' ' ' MET . 12.3 p80 -59.33 -33.92 71.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.775 -1.203 . . . . 0.0 108.76 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -59.78 -33.32 71.54 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.375 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttp -56.07 -38.62 70.91 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -73.55 -24.79 60.16 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.423 0.63 . . . . 0.0 110.472 178.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.73 -24.65 64.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.153 -1.592 . . . . 0.0 109.682 -179.77 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.611 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -48.74 -31.36 6.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.472 -1.392 . . . . 0.0 109.415 -179.66 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.611 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -69.62 -40.03 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.608 -1.308 . . . . 0.0 108.138 176.778 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.431 ' N ' ' O ' ' X' ' 109' ' ' MET . 63.4 p -60.17 -33.43 72.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.786 -179.655 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' Y' ' 104' ' ' ARG . 52.8 mtt-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.533 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 12.4 p80 -59.5 -33.78 71.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.774 -1.204 . . . . 0.0 108.769 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -59.82 -33.15 71.37 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 62.2 tttp -56.31 -38.59 71.49 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.09 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.1 tp -73.5 -24.86 60.23 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.442 0.639 . . . . 0.0 110.515 178.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.84 -24.65 64.38 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.195 -1.566 . . . . 0.0 109.667 -179.619 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -48.77 -31.09 6.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.489 -1.382 . . . . 0.0 109.399 -179.594 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.59 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.546 -1.346 . . . . 0.0 108.218 176.759 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.427 ' N ' ' O ' ' Y' ' 109' ' ' MET . 61.9 p -60.01 -32.79 71.2 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.861 -179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.402 -0.811 . . . . 0.0 . 179.725 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m 56.8 26.85 11.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.873 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -77.61 -11.89 59.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.605 -0.684 . . . . 0.0 110.494 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.6 pt? -47.27 -18.37 0.1 Allowed 'General case' 0 C--O 1.198 -1.606 0 O-C-N 120.788 -1.195 . . . . 0.0 110.289 -179.014 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 2' ' ' GLU . 99.0 mt-10 -64.55 -39.68 94.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.34 -1.475 . . . . 0.0 109.278 -179.626 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -77.33 -36.91 53.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.98 79.54 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.571 -0.706 . . . . 0.0 110.479 -178.807 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.506 -0.746 . . . . 0.0 110.114 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.3 -38.78 83.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 121.71 0.767 . . . . 0.0 109.421 -179.554 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -67.69 -36.95 81.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.688 -0.632 . . . . 0.0 111.621 -178.378 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.49 -40.09 85.88 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -178.394 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -68.17 -39.99 82.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.206 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.56 -50.23 73.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.022 -1.049 . . . . 0.0 111.553 -178.487 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -39.75 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 110.018 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 27' ' ' LEU . 78.9 t80 -55.21 -40.44 70.8 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.416 -0.803 . . . . 0.0 109.296 -179.446 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.61 -21.12 48.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.397 -0.814 . . . . 0.0 111.213 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -58.18 -42.44 86.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.776 -1.203 . . . . 0.0 111.255 -177.769 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 15.4 p90 -114.65 -25.46 8.28 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.069 -1.019 . . . . 0.0 111.367 -178.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.472 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.6 m -60.88 -41.35 95.83 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.578 -1.327 . . . . 0.0 110.084 -179.284 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.77 85.92 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.377 -1.392 . . . . 0.0 110.173 -179.33 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -61.06 -42.94 99.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.022 -1.281 . . . . 0.0 109.517 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -79.63 -78.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 0.0 110.075 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.42 -37.72 0.03 OUTLIER Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.181 -1.485 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -81.83 107.58 14.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.694 -1.474 . . . . 0.0 109.475 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -85.98 -26.49 25.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.497 -0.752 . . . . 0.0 109.566 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -100.02 -2.63 33.96 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.236 -0.915 . . . . 0.0 110.604 -178.879 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -139.93 140.1 36.3 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.033 -1.042 . . . . 0.0 109.011 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 14' ' ' PHE . 9.9 tp -106.27 134.36 49.52 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.093 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 30' ' ' SER . 90.8 mttt -101.17 152.44 20.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 108.637 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -49.92 -21.92 1.35 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.644 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 28' ' ' LYS . 78.2 p -76.64 -47.16 23.08 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.216 -0.593 . . . . 0.0 109.794 179.695 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' OE2' ' O ' ' A' ' 18' ' ' SER . 49.4 mt-10 -67.93 -36.12 79.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.866 -1.146 . . . . 0.0 108.267 179.055 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.76 -41.25 90.6 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.446 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.07 -39.83 95.88 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.573 -0.704 . . . . 0.0 109.534 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.17 -39.64 87.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 110.48 -178.628 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -69.71 -42.84 73.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.523 -1.361 . . . . 0.0 108.93 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 47' ' ' ILE . 93.7 mt -69.93 -43.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.414 -0.804 . . . . 0.0 111.725 -177.741 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 2.0 m-20 -81.29 -34.75 31.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.466 -1.396 . . . . 0.0 112.537 -178.059 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -100.18 -36.83 9.17 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.017 -1.052 . . . . 0.0 113.276 -176.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.46 -15.3 43.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.475 -1.391 . . . . 0.0 110.668 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 44' ' ' LEU . 30.3 mt -111.91 54.83 0.69 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -57.1 -42.31 80.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.052 -1.03 . . . . 0.0 109.604 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -138.1 -11.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.025 -1.047 . . . . 0.0 110.653 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.06 -21.64 63.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.733 -1.23 . . . . 0.0 110.058 -179.157 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 40' ' ' LEU . 5.0 tp -151.9 167.28 28.84 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.818 -1.176 . . . . 0.0 107.997 178.503 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 13.9 pt-20 -69.43 118.0 11.75 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.791 -1.193 . . . . 0.0 109.083 179.872 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 37' ' ' ASN . 33.3 mt-10 -65.89 154.38 39.41 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 60.7 mt -99.3 139.19 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.254 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -110.17 -24.42 10.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.192 -0.943 . . . . 0.0 109.916 -178.292 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 41.8 mt-10 -113.14 140.61 47.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.51 -0.744 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -19.51 63.87 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.715 179.182 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.7 pt-20 -60.58 -40.42 91.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.152 -0.968 . . . . 0.0 109.662 -179.104 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 57.3 t -60.27 -39.16 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.8 -38.5 82.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.705 -0.622 . . . . 0.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.87 -38.56 89.13 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.499 -0.751 . . . . 0.0 109.84 -179.124 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -67.25 -39.9 86.18 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.664 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -66.76 -32.6 58.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 179.044 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.6 mmm -70.02 -27.37 64.62 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.836 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.79 -39.87 78.53 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -76.31 -42.5 44.95 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.124 178.873 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -90.11 -14.81 32.93 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.782 -1.199 . . . . 0.0 111.052 -178.145 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.63 ' N ' ' O ' ' A' ' 57' ' ' MET . 64.0 t0 -81.59 59.78 4.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.63 -39.1 83.2 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.106 -178.047 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 65' ' ' ASP . 58.7 p30 -80.54 -5.99 57.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.925 -1.109 . . . . 0.0 108.833 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 64.27 35.98 92.64 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.86 178.667 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.7 p-10 -107.02 0.62 23.77 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.009 -1.289 . . . . 0.0 110.062 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.48 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.71 6.13 89.56 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 -179.244 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 70.2 mt-10 -139.41 136.52 34.78 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.674 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.18 121.26 41.16 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.728 -1.232 . . . . 0.0 107.769 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.4 t0 -59.92 163.69 4.43 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.271 -0.893 . . . . 0.0 108.684 -178.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.4 t80 -48.26 -40.01 23.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.665 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.9 -46.43 89.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.689 -0.632 . . . . 0.0 110.448 178.678 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.64 -40.03 95.72 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 110.967 -177.859 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -69.83 -32.9 71.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.65 -1.281 . . . . 0.0 109.163 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.485 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 72.9 mmm -60.14 -38.38 82.92 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.331 0.586 . . . . 0.0 110.36 -179.09 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.74 78.12 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.781 -1.199 . . . . 0.0 110.154 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 80' ' ' VAL . 67.5 t80 -60.32 -26.02 66.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.392 -0.817 . . . . 0.0 110.119 179.857 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.6 t -77.09 -32.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.081 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 -178.776 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 p -67.67 -41.01 84.4 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ptm -73.49 -42.13 62.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 110.948 -179.458 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' PHE . 88.5 t -60.09 -37.68 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.675 -1.266 . . . . 0.0 109.428 -179.491 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' CYS . 99.0 m -59.39 -39.57 83.81 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -48.58 -40.27 26.7 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.11 -34.46 78.47 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.324 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.1 t -59.99 -38.09 81.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 179.462 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -60.0 -40.35 88.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.064 -1.022 . . . . 0.0 108.633 -179.618 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.03 -39.67 86.7 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.29 -24.4 29.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.651 -0.656 . . . . 0.0 110.228 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' CYS . 57.1 t80 . . . . . 0 C--N 1.303 -1.449 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m 57.8 27.07 13.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 0.0 108.839 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.4 mt-10 -77.09 -12.96 60.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.755 -0.59 . . . . 0.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.629 HD23 ' N ' ' B' ' 3' ' ' LEU . 1.6 pt? -46.88 -18.27 0.07 Allowed 'General case' 0 C--O 1.199 -1.58 0 O-C-N 120.771 -1.206 . . . . 0.0 110.418 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 2' ' ' GLU . 98.9 mt-10 -65.04 -39.53 93.47 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.46 -1.4 . . . . 0.0 109.336 -179.584 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -77.12 -36.82 55.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.36 -46.9 81.4 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.596 -0.69 . . . . 0.0 110.744 -178.9 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.8 mtt -60.85 -40.8 94.24 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.382 -0.824 . . . . 0.0 109.914 -179.349 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.7 -38.59 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-O 121.924 0.868 . . . . 0.0 109.492 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.77 80.18 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.727 -0.608 . . . . 0.0 111.768 -178.227 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.0 -40.09 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.621 -178.386 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.54 -40.15 83.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.302 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.1 -50.12 74.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.04 . . . . 0.0 111.092 -178.49 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -40.0 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.55 -0.719 . . . . 0.0 110.038 -179.097 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' B' ' 27' ' ' LEU . 73.1 t80 -55.0 -40.07 69.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.262 -179.409 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -78.91 -20.87 48.33 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.304 -0.872 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -58.59 -42.42 88.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.652 -1.28 . . . . 0.0 111.319 -177.482 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.2 p90 -114.7 -25.06 8.43 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 121.061 -1.024 . . . . 0.0 111.411 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 50.6 m -61.37 -41.32 96.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.655 -1.278 . . . . 0.0 110.173 -179.188 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.71 -9.91 86.15 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 119.231 -1.462 . . . . 0.0 109.973 -179.559 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.16 -42.42 94.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -1.225 . . . . 0.0 109.321 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -80.28 -78.27 0.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.339 -178.7 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.74 -37.24 0.03 OUTLIER Glycine 0 N--CA 1.487 2.087 0 C-N-CA 119.268 -1.444 . . . . 0.0 110.524 -179.558 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.99 106.65 14.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.662 -1.493 . . . . 0.0 109.602 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -84.87 -26.51 27.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.66 -0.65 . . . . 0.0 109.77 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -100.1 -2.75 33.42 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 -178.894 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -140.22 140.1 35.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.078 -1.014 . . . . 0.0 109.313 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' B' ' 14' ' ' PHE . 10.0 tp -105.85 135.13 47.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' B' ' 30' ' ' SER . 86.2 mttt -102.02 152.4 21.01 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.64 -22.84 1.44 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.594 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' C ' ' B' ' 28' ' ' LYS . 81.3 p -76.41 -46.15 28.45 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.938 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 18' ' ' SER . 50.1 mt-10 -68.49 -36.88 79.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.016 -1.053 . . . . 0.0 108.3 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.28 -41.75 89.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.264 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.49 -39.03 92.18 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.437 -0.789 . . . . 0.0 109.449 178.789 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.53 -39.36 87.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.303 -0.873 . . . . 0.0 110.311 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -69.75 -43.49 72.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.682 -1.261 . . . . 0.0 109.014 179.848 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.469 HG21 HD12 ' B' ' 47' ' ' ILE . 91.6 mt -69.5 -44.03 80.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 O-C-N 121.437 -0.789 . . . . 0.0 111.741 -177.439 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 2.0 m-20 -80.89 -34.27 33.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.811 -1.181 . . . . 0.0 112.64 -177.866 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -100.48 -38.34 8.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.077 -1.015 . . . . 0.0 113.151 -176.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -84.19 -15.25 47.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.5 -1.375 . . . . 0.0 110.887 -177.488 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 44' ' ' LEU . 26.1 mt -111.63 54.69 0.68 Allowed 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.075 -1.016 . . . . 0.0 109.627 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -57.17 -42.22 80.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.034 -1.041 . . . . 0.0 109.501 -179.641 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -137.71 -11.46 1.56 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.986 -1.071 . . . . 0.0 110.58 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.08 -22.39 63.05 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.904 -1.123 . . . . 0.0 109.936 -179.214 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.42 ' HB3' HD13 ' B' ' 40' ' ' LEU . 4.9 tp -151.93 166.47 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.998 -1.064 . . . . 0.0 108.32 178.899 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 15.4 pt-20 -68.84 118.4 11.75 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.678 -1.264 . . . . 0.0 109.124 179.779 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 33.0 mt-10 -65.96 153.75 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.239 -0.913 . . . . 0.0 109.637 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.512 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 60.8 mt -98.88 138.92 21.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.253 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -110.15 -23.02 11.49 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.142 -0.974 . . . . 0.0 110.151 -178.228 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 41.8 mt-10 -114.68 141.01 48.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.495 -0.753 . . . . 0.0 109.072 179.89 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -19.4 63.78 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.493 -0.883 . . . . 0.0 108.924 179.261 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 9.1 pt-20 -60.42 -40.55 91.43 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.737 -179.212 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 66.4 t -59.91 -39.86 81.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.606 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.45 -39.14 84.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.7 -0.625 . . . . 0.0 110.181 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -65.11 -38.81 91.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.596 0.712 . . . . 0.0 109.911 -179.171 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.27 -40.11 86.13 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.719 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.73 -32.54 58.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.024 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.651 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.0 mmm -69.97 -27.71 64.94 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.497 -0.881 . . . . 0.0 108.729 179.111 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.53 -39.77 77.32 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 178.176 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.6 m -75.95 -43.46 44.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.816 -0.552 . . . . 0.0 110.761 178.724 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.27 -14.85 34.91 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.055 -1.028 . . . . 0.0 111.202 -177.864 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -82.06 60.06 4.69 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 179.319 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.54 -39.47 84.05 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.993 -177.95 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -80.65 -6.71 58.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.804 -1.185 . . . . 0.0 109.015 179.516 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.93 36.62 93.29 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.976 178.812 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.11 1.49 24.22 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.098 -1.237 . . . . 0.0 109.914 179.822 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.13 6.5 89.15 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 68.7 mt-10 -139.73 136.67 34.42 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.769 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.76 121.81 41.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.724 -1.235 . . . . 0.0 108.055 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 43.2 t0 -59.63 164.53 3.52 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.172 -0.955 . . . . 0.0 108.797 -179.443 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.4 t80 -49.32 -40.17 34.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.939 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.82 -46.74 88.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.472 0.653 . . . . 0.0 110.457 178.68 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.85 -40.8 96.59 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.049 -1.032 . . . . 0.0 110.98 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -69.45 -32.6 71.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.793 -1.192 . . . . 0.0 109.078 179.286 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.5 mmm -60.4 -39.37 87.08 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.596 -0.69 . . . . 0.0 110.361 -179.231 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.409 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.0 -35.43 80.56 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.67 -1.269 . . . . 0.0 110.047 -178.845 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.16 -25.43 65.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 -179.655 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -77.57 -33.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.091 -1.006 . . . . 0.0 109.465 -178.786 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 10.7 p -66.97 -40.77 87.53 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.805 -178.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.21 -41.64 61.06 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.857 -1.152 . . . . 0.0 111.048 -179.387 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.3 -37.6 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.562 -1.336 . . . . 0.0 109.267 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' ' N ' ' B' ' 84' ' ' CYS . 97.0 m -59.44 -39.87 84.95 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -48.37 -39.69 23.11 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.609 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.06 79.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' B' ' 88' ' ' PHE . 8.7 t -59.92 -38.48 82.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.431 -0.793 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.99 -39.98 87.57 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.954 -1.091 . . . . 0.0 108.687 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.34 -39.03 85.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -84.77 -24.53 28.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.815 . . . . 0.0 110.017 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.8 t80 . . . . . 0 C--N 1.301 -1.533 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.826 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.515 ' O ' ' SD ' ' X' ' 109' ' ' MET . 18.3 p80 -57.5 -35.8 70.7 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.556 -1.34 . . . . 0.0 108.602 179.683 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.59 -34.52 72.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.603 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -55.4 -40.06 70.95 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.781 -1.199 . . . . 0.0 107.909 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.593 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 8.1 tp -73.06 -25.21 60.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.641 -0.662 . . . . 0.0 110.39 179.632 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.24 -24.37 54.26 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.512 -1.367 . . . . 0.0 109.382 -179.485 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.7 p90 -41.44 -39.7 1.57 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.389 -0.819 . . . . 0.0 109.586 -179.085 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.593 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 14.6 mtmt -71.46 -43.47 66.58 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.856 -1.153 . . . . 0.0 108.12 176.736 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 0.7 OUTLIER -66.31 -27.2 67.73 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.825 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' X' X ' 113' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' X' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.406 0 O-C-N 121.602 -0.686 . . . . 0.0 . 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.531 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 15.5 p80 -57.03 -36.76 70.84 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.681 -1.262 . . . . 0.0 108.743 179.489 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.77 -34.67 71.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.534 -0.729 . . . . 0.0 109.063 179.493 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -55.51 -39.82 71.0 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.622 -1.299 . . . . 0.0 108.165 179.772 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.597 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 8.9 tp -73.31 -25.6 60.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.675 -0.641 . . . . 0.0 110.331 179.46 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.54 -24.44 46.84 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.633 -1.292 . . . . 0.0 109.361 -179.403 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.7 p90 -41.35 -39.03 1.33 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.547 -0.721 . . . . 0.0 109.746 -179.013 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.597 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 15.1 mtmt -72.13 -44.08 63.7 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.498 ' N ' ' O ' ' Y' ' 109' ' ' MET . 0.7 OUTLIER -65.28 -27.68 68.8 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.779 -179.085 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' Y' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.666 -0.647 . . . . 0.0 . -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.244 0.545 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 p 49.99 20.74 0.62 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.245 -0.91 . . . . 0.0 109.679 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -76.49 8.36 3.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 109.311 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 tt -59.97 -36.54 77.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.721 -0.612 . . . . 0.0 111.771 -178.547 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.01 -39.92 87.49 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.816 -1.177 . . . . 0.0 109.605 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -69.54 -33.32 72.62 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.376 -0.828 . . . . 0.0 109.172 -179.062 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.03 79.81 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.767 -179.345 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.9 mtt -64.96 -40.05 94.42 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.15 -0.969 . . . . 0.0 109.205 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.99 -39.91 86.99 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.66 0.743 . . . . 0.0 109.206 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.47 93.6 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.837 -0.539 . . . . 0.0 111.121 -179.043 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 77' ' ' VAL . 90.4 mt -60.08 -39.85 87.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.911 -1.118 . . . . 0.0 108.861 -178.611 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.87 -37.82 79.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.593 -0.692 . . . . 0.0 110.415 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.02 -48.21 82.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.699 -1.251 . . . . 0.0 110.656 -179.059 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -39.95 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.751 -178.791 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.08 -40.01 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.36 -0.838 . . . . 0.0 109.614 -179.316 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.98 -39.61 86.26 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.168 -0.957 . . . . 0.0 111.007 -178.632 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.888 -1.132 . . . . 0.0 111.353 -178.183 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 47.0 m-85 -89.32 -28.68 19.68 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.695 -1.253 . . . . 0.0 112.404 -178.286 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -63.04 -39.98 96.35 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.792 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.1 -7.22 85.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.54 -43.37 98.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.071 -1.252 . . . . 0.0 110.866 -178.763 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -100.8 -5.75 25.84 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.077 -1.014 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.92 -17.2 58.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.155 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' LYS . 73.0 m-20 -82.91 68.86 9.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.786 -1.42 . . . . 0.0 108.367 179.391 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.808 -0.558 . . . . 0.0 110.877 -179.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -77.34 -19.99 55.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.208 -0.932 . . . . 0.0 111.6 -177.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . 15.0 ptpt -148.23 159.1 44.32 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.561 -1.337 . . . . 0.0 111.307 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -109.83 136.73 48.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 40.2 mtmt -106.86 156.54 18.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.299 -0.875 . . . . 0.0 108.739 179.214 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.578 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 14.8 ttmm -44.21 -27.32 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -0.874 . . . . 0.0 108.753 179.371 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' LYS . 67.3 m -77.36 -48.48 17.21 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.296 0.57 . . . . 0.0 109.817 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.3 tt0 -70.03 -29.96 67.14 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.42 -39.94 92.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.567 -0.708 . . . . 0.0 109.531 178.7 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.126 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 4.2 tp10 -70.81 -37.06 73.24 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 109.614 -178.897 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.711 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -60.43 -50.01 75.28 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.701 -1.249 . . . . 0.0 108.682 179.372 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 36' ' ' ILE . 51.6 mt -74.52 -48.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 -178.282 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -66.44 -40.45 89.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.151 -0.968 . . . . 0.0 112.984 -176.319 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.584 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 70.1 m-20 -98.07 -34.67 10.69 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.122 -0.986 . . . . 0.0 113.649 -176.659 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.01 -10.86 59.8 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.059 -1.651 . . . . 0.0 109.317 -178.253 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mt -132.11 58.98 1.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.749 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' ND1' ' A' ' 42' ' ' HIS . 54.3 p -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 110.503 -178.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.534 ' ND1' ' OG ' ' A' ' 41' ' ' SER . 17.5 p-80 -134.88 -16.73 1.95 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.127 -0.983 . . . . 0.0 110.656 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.38 -39.33 94.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.746 -1.221 . . . . 0.0 109.223 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.673 HD23 ' H ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -126.75 157.78 38.23 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.817 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.673 ' H ' HD23 ' A' ' 44' ' ' LEU . 7.7 pt-20 -57.97 116.97 3.84 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.322 -1.486 . . . . 0.0 109.024 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.01 146.96 40.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.514 -0.741 . . . . 0.0 109.217 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -82.3 137.46 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.769 -1.207 . . . . 0.0 108.184 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -106.71 -18.61 13.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.416 -0.803 . . . . 0.0 110.048 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 52.6 tp10 -143.13 140.17 30.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.079 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.97 -31.05 69.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.922 . . . . 0.0 110.364 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.1 pt-20 -51.69 -34.47 38.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.007 -1.058 . . . . 0.0 109.738 -178.459 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.54 -38.56 81.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 108.504 178.885 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.7 -33.37 59.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HA ' ' HZ2' ' A' ' 29' ' ' LYS . 62.8 t0 -66.68 -37.81 85.52 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.788 0.804 . . . . 0.0 109.315 179.685 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.96 -39.98 87.38 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.818 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG2' ' NE2' ' X' ' 105' ' ' HIS . 40.4 t -64.82 -31.41 53.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.553 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.578 ' SD ' ' NZ ' ' A' ' 29' ' ' LYS . 2.7 mtt -70.05 -32.85 71.16 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.946 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -39.93 77.6 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.125 -1.609 . . . . 0.0 106.825 179.028 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.4 m -87.87 -40.04 14.31 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 72' ' ' GLU . 18.7 tp -88.45 -17.21 30.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 110.947 -177.11 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.4 t0 -81.08 63.36 5.41 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.872 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 75.4 mt-10 -57.71 -40.01 78.56 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 81.9 m-20 -71.18 -19.98 62.34 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.688 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.32 31.22 79.77 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 31.9 p-10 -107.85 5.94 26.94 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.111 -1.229 . . . . 0.0 110.239 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.82 10.01 86.15 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.49 -1.844 . . . . 0.0 108.49 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 73.5 mt-10 -146.27 135.59 22.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 136.37 43.38 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.648 -1.283 . . . . 0.0 107.705 178.814 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 31.7 t0 -78.9 169.99 17.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.357 -0.839 . . . . 0.0 109.537 -178.914 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 8.5 t80 -49.45 -38.73 30.66 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.269 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.77 -50.51 72.07 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.804 -0.56 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' HD11 ' A' ' 60' ' ' LEU . 41.8 mt-10 -61.31 -40.28 93.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 110.531 -177.909 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.7 -30.75 69.47 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 108.733 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.513 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.08 -39.97 87.91 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.572 0.701 . . . . 0.0 109.477 -178.452 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.31 68.51 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 110.19 -179.322 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 80' ' ' VAL . 37.6 t80 -63.81 -24.37 67.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.032 -1.043 . . . . 0.0 108.926 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 10' ' ' LEU . 3.5 t -71.2 -39.66 73.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.82 0.819 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.523 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -70.07 -43.39 71.26 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.456 -177.616 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -40.46 90.21 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.634 -1.291 . . . . 0.0 110.851 -178.304 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' PHE . 18.8 t -69.97 -33.09 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.604 -1.31 . . . . 0.0 108.85 -179.824 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 108.684 179.745 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -39.79 86.84 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.66 80.62 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.06 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -59.3 -33.69 71.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.375 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.986 -1.071 . . . . 0.0 108.777 179.5 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -40.08 93.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 178.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.16 -39.98 74.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 109.489 179.496 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 p 49.94 20.84 0.62 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.4 8.23 3.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.452 -0.78 . . . . 0.0 109.296 179.643 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.93 -36.39 76.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.573 -0.705 . . . . 0.0 111.81 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.01 -39.97 87.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.735 -1.228 . . . . 0.0 109.56 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.474 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -69.15 -33.77 73.94 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.424 -0.797 . . . . 0.0 109.171 -179.2 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.01 80.43 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.492 -0.755 . . . . 0.0 110.789 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -65.16 -39.98 93.71 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.108 -0.995 . . . . 0.0 109.213 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.87 -39.94 86.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.708 0.766 . . . . 0.0 109.173 -179.698 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.31 93.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.825 -0.547 . . . . 0.0 111.225 -178.919 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.651 HD22 HG11 ' B' ' 77' ' ' VAL . 90.1 mt -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.827 -1.17 . . . . 0.0 108.774 -178.66 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.77 -37.83 79.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.582 -0.699 . . . . 0.0 110.523 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -48.27 82.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.744 -1.223 . . . . 0.0 110.687 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -40.04 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.89 -40.05 83.28 Favored 'General case' 0 C--O 1.201 -1.481 0 O-C-N 121.299 -0.875 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -59.97 -39.63 86.3 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.233 -0.917 . . . . 0.0 110.996 -178.615 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.905 -1.122 . . . . 0.0 111.394 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.456 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 47.9 m-85 -89.35 -28.65 19.67 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.698 -1.251 . . . . 0.0 112.46 -178.264 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -63.05 -40.0 96.41 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -178.531 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.12 -7.22 85.56 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.09 -1.241 . . . . 0.0 110.881 -178.736 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -100.62 -6.15 25.64 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.088 -1.007 . . . . 0.0 109.761 -179.752 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.11 -17.07 58.57 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.218 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.0 m-20 -82.96 69.12 9.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.742 -1.446 . . . . 0.0 108.395 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -60.07 -39.99 87.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.845 -0.534 . . . . 0.0 110.908 -178.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.52 -20.1 54.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.199 -0.938 . . . . 0.0 111.719 -178.015 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' B' ' 23' ' ' ASP . 15.2 ptpt -147.78 159.37 43.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.575 -1.328 . . . . 0.0 111.21 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.3 mt -110.34 136.92 48.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 30' ' ' SER . 39.4 mtmt -106.88 156.8 18.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.858 . . . . 0.0 108.712 179.268 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.582 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 14.7 ttmm -44.37 -27.23 0.41 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.329 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.7 m -77.51 -48.24 17.55 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.842 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 28.9 tt0 -69.96 -30.35 67.7 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.25 -39.96 93.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.629 -0.669 . . . . 0.0 109.558 178.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.05 -40.01 87.93 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.29 -0.881 . . . . 0.0 110.13 -179.67 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.588 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 4.3 tp10 -70.65 -37.36 73.71 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 109.607 -178.923 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.714 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.7 tm? -60.29 -50.02 75.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -74.51 -48.66 34.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 111.597 -178.318 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -66.5 -40.46 89.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.078 -1.013 . . . . 0.0 113.002 -176.328 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.588 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 70.1 m-20 -98.05 -34.67 10.7 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.629 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.98 -11.51 59.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.08 -1.637 . . . . 0.0 109.307 -178.205 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.22 58.87 1.7 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' ND1' ' B' ' 42' ' ' HIS . 56.7 p -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 0.0 110.473 -178.853 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.532 ' ND1' ' OG ' ' B' ' 41' ' ' SER . 17.3 p-80 -134.96 -16.32 1.95 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.163 -0.961 . . . . 0.0 110.619 -179.283 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.54 -39.5 94.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 109.231 -179.721 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 ' H ' ' B' ' 45' ' ' GLU . 0.5 OUTLIER -126.53 158.53 35.92 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.778 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.645 ' H ' HD23 ' B' ' 44' ' ' LEU . 8.7 pt-20 -58.5 117.33 4.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.299 -1.501 . . . . 0.0 109.005 -179.55 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 147.0 40.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.534 -0.729 . . . . 0.0 109.092 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -82.51 137.26 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.135 . . . . 0.0 108.156 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -106.47 -18.92 13.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.44 -0.788 . . . . 0.0 110.089 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 52.6 tp10 -143.05 140.32 30.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.212 -0.93 . . . . 0.0 109.087 -178.728 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.91 -31.29 69.68 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.311 -0.868 . . . . 0.0 110.351 -179.296 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.5 pt-20 -51.67 -34.39 38.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.083 -1.011 . . . . 0.0 109.714 -178.392 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.67 -38.45 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.204 -0.935 . . . . 0.0 108.572 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.55 -33.64 61.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.407 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 63.4 t0 -66.61 -37.6 85.21 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.734 0.778 . . . . 0.0 109.343 179.753 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.07 -40.06 86.98 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.753 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.85 -31.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.652 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.582 ' SD ' ' NZ ' ' B' ' 29' ' ' LYS . 2.8 mtt -70.03 -32.84 71.19 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.95 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -40.01 77.77 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.04 -1.662 . . . . 0.0 106.826 179.034 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.8 m -87.85 -40.02 14.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.899 -0.501 . . . . 0.0 111.069 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.452 HD11 ' O ' ' B' ' 72' ' ' GLU . 18.3 tp -88.49 -17.17 30.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.1 -1.0 . . . . 0.0 111.029 -177.084 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.7 t0 -80.97 63.34 5.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.439 -1.413 . . . . 0.0 107.234 178.799 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 79.5 mt-10 -57.51 -40.05 77.86 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.034 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 79.9 m-20 -71.59 -19.93 62.07 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.62 31.25 79.43 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 31.8 p-10 -107.82 5.8 26.86 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.067 -1.255 . . . . 0.0 110.263 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.88 9.96 86.17 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.524 -1.831 . . . . 0.0 108.524 -179.385 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 73.6 mt-10 -146.22 135.5 22.84 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 136.21 43.59 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.686 -1.259 . . . . 0.0 107.658 178.835 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 33.3 t0 -78.97 169.98 17.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.387 -0.82 . . . . 0.0 109.503 -178.905 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 9.5 t80 -49.38 -39.01 30.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.248 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.65 -50.73 71.36 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.804 -0.56 . . . . 0.0 111.186 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.452 ' O ' HD11 ' B' ' 60' ' ' LEU . 41.1 mt-10 -60.7 -40.74 93.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.046 -1.034 . . . . 0.0 110.614 -178.128 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -68.75 -30.48 69.1 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 108.782 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.01 87.76 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.612 0.72 . . . . 0.0 109.425 -178.635 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.27 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.795 -1.19 . . . . 0.0 110.246 -179.209 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' B' ' 80' ' ' VAL . 37.7 t80 -63.67 -24.55 67.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.033 -1.042 . . . . 0.0 108.964 179.41 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.651 HG11 HD22 ' B' ' 10' ' ' LEU . 3.4 t -71.52 -39.02 69.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 O-C-N 121.33 -0.856 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.513 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -70.22 -43.52 70.47 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.358 -177.782 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.637 -1.289 . . . . 0.0 110.869 -178.385 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 76' ' ' PHE . 19.9 t -70.02 -32.92 53.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.563 -1.336 . . . . 0.0 108.987 -179.822 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -60.01 -40.06 87.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -39.93 87.39 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.16 78.92 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.26 -34.14 71.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.506 -0.747 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.05 -41.1 91.6 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.985 -1.072 . . . . 0.0 108.739 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.59 -40.01 93.23 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.42 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.0 109.541 179.441 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.461 ' NE2' ' CG2' ' A' ' 56' ' ' VAL . 36.4 t-80 -57.57 -37.38 73.08 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.116 -0.99 . . . . 0.0 108.45 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -31.84 70.24 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 17.9 pttt -55.17 -32.16 61.93 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.569 ' O ' HD23 ' X' ' 108' ' ' LEU . 1.2 tt -76.89 -24.89 52.53 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.007 0.908 . . . . 0.0 109.665 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.9 -24.71 64.52 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.155 -1.591 . . . . 0.0 109.216 179.638 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.549 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.9 OUTLIER -48.82 -28.61 3.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.556 -1.34 . . . . 0.0 109.292 -179.107 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.549 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -69.98 -40.0 75.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.721 -1.237 . . . . 0.0 107.769 176.129 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.5 p -60.05 -32.45 70.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.236 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 0.0 . 179.869 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -57.47 -37.63 73.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.111 -0.993 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.01 -31.37 69.87 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.092 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 19.4 pttt -55.43 -32.05 62.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.78 -1.2 . . . . 0.0 107.802 179.589 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.578 ' O ' HD23 ' Y' ' 108' ' ' LEU . 1.2 tt -76.89 -24.87 52.54 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.987 0.898 . . . . 0.0 109.65 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -60.0 -24.73 64.71 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.162 -1.586 . . . . 0.0 109.277 179.72 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.9 OUTLIER -48.65 -28.76 3.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.587 -1.321 . . . . 0.0 109.342 -179.269 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.689 -1.257 . . . . 0.0 107.758 176.167 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.482 ' N ' ' O ' ' Y' ' 109' ' ' MET . 44.9 p -59.98 -31.9 70.33 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.284 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 . 179.802 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m 58.1 21.81 8.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.418 -0.801 . . . . 0.0 109.481 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -77.8 9.84 3.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.84 . . . . 0.0 109.422 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.86 -38.02 80.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 0.0 110.471 -177.556 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.13 -39.8 87.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.809 -1.182 . . . . 0.0 110.082 -179.205 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.4 mppt? -67.94 -39.08 83.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 109.898 -179.445 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.05 85.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.118 -0.989 . . . . 0.0 110.849 -178.896 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.0 mtt -62.07 -40.05 94.5 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.127 -0.983 . . . . 0.0 109.356 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.34 -39.27 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-O 121.609 0.718 . . . . 0.0 109.098 -179.683 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.84 95.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.724 -0.61 . . . . 0.0 111.624 -178.455 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.98 -40.01 87.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.657 -1.277 . . . . 0.0 108.347 -179.239 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.32 -39.98 85.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.655 -0.653 . . . . 0.0 110.992 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -66.87 -40.12 87.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.631 -1.293 . . . . 0.0 111.757 -178.205 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.91 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.275 -0.891 . . . . 0.0 110.672 -178.325 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.48 -39.95 68.0 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.205 -0.934 . . . . 0.0 109.067 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -77.41 -22.16 52.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.611 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -55.53 -46.65 77.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.687 -1.258 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 29.1 p90 -114.1 -25.83 8.35 Favored 'General case' 0 N--CA 1.507 2.399 0 C-N-CA 119.696 -0.801 . . . . 0.0 112.168 -177.73 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -67.56 -40.07 84.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.555 -1.34 . . . . 0.0 110.754 -178.487 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.26 59.83 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.424 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.507 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 61.7 mtp180 -59.96 -49.97 75.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.548 -1.56 . . . . 0.0 109.108 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -93.04 165.74 12.7 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.716 -179.082 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.5 -18.25 15.0 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.527 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' CG ' ' HZ1' ' A' ' 26' ' ' LYS . 90.5 m-20 -73.1 51.36 0.3 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.003 -1.293 . . . . 0.0 109.746 -179.564 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 24' ' ' LYS . 12.1 ttmm -71.54 -40.07 70.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.728 -1.232 . . . . 0.0 110.194 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.43 -0.2 57.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.233 -0.917 . . . . 0.0 110.354 -178.361 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HZ1' ' CG ' ' A' ' 23' ' ' ASP . 19.0 pttp -148.13 167.73 24.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.232 -0.917 . . . . 0.0 108.784 -179.748 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 tp -122.48 131.64 53.96 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.189 -0.944 . . . . 0.0 109.062 -179.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 23.0 tptm -106.74 145.94 31.45 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.095 -1.003 . . . . 0.0 109.203 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ttmm -38.09 -24.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.571 0.7 . . . . 0.0 109.215 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' LYS . 15.5 t -74.52 -50.01 19.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.804 . . . . 0.0 109.276 179.373 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.2 mt-10 -68.05 -35.05 77.6 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.123 -0.985 . . . . 0.0 108.913 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.167 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE2' HD22 ' A' ' 37' ' ' ASN . 86.4 tttt -60.41 -39.42 87.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 179.091 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 86.4 tt0 -62.42 -39.9 94.82 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.901 0.858 . . . . 0.0 109.238 -179.266 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.664 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.9 tm? -60.1 -49.04 79.2 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.878 -1.139 . . . . 0.0 108.605 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.55 -47.94 43.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.5 -0.75 . . . . 0.0 112.208 -177.872 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 96.2 m-20 -79.52 -46.56 17.16 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.538 -1.351 . . . . 0.0 112.742 -176.39 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -77.12 -50.53 12.82 Favored 'General case' 0 C--N 1.285 -2.229 0 O-C-N 121.464 -0.773 . . . . 0.0 112.98 -176.497 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' ' CD2' ' A' ' 35' ' ' LEU . 75.8 tt0 -71.43 -39.99 70.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.623 -1.298 . . . . 0.0 110.276 -178.164 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.66 61.84 1.36 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.338 -0.851 . . . . 0.0 108.731 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 109.921 -179.544 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -136.54 -14.96 1.66 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.218 -0.926 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.5 t80 -66.97 -35.11 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.026 -1.046 . . . . 0.0 109.74 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -130.02 160.36 33.91 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.69 114.39 4.95 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.816 -1.178 . . . . 0.0 109.975 -178.871 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -59.92 141.99 54.48 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.237 0.541 . . . . 0.0 110.184 179.718 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 49' ' ' GLU . 5.8 mm -76.1 135.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 108.894 179.49 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -2.35 26.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.539 -0.726 . . . . 0.0 110.712 -178.716 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -152.29 132.89 13.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.943 -1.098 . . . . 0.0 108.985 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -60.05 -28.08 67.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 0.0 111.223 -179.128 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 18.1 pt-20 -60.01 -36.84 78.1 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.858 -1.151 . . . . 0.0 109.643 -179.252 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.02 -37.01 70.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.58 -1.266 . . . . 0.0 107.58 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.73 -33.88 64.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -66.45 -36.72 83.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.344 -0.848 . . . . 0.0 109.397 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -68.37 -39.8 81.66 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.2 -38.57 77.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 67.2 mmm -70.55 -23.71 62.66 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.271 179.885 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.35 -39.97 84.9 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 119.96 -1.713 . . . . 0.0 106.606 178.91 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -40.22 15.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.501 -0.75 . . . . 0.0 109.705 178.34 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 76' ' ' PHE . 1.1 mp -75.98 -27.25 57.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.129 -0.982 . . . . 0.0 109.952 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.9 t0 -79.0 58.94 2.54 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.809 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.43 -35.73 72.54 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -179.216 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.28 -11.42 59.91 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.471 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.02 29.9 76.21 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 39.4 p-10 -107.88 10.53 28.54 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.184 -1.186 . . . . 0.0 110.284 -179.405 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.07 3.38 64.59 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 93.3 mt-10 -131.66 131.07 42.86 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.425 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.69 124.49 42.03 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.489 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 56.4 t0 -63.25 158.61 19.71 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -178.775 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 t80 -48.32 -37.5 16.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.127 -0.983 . . . . 0.0 108.861 -179.683 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -69.21 -39.5 78.56 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.907 -1.12 . . . . 0.0 109.99 179.198 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.17 -42.54 99.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.874 -1.141 . . . . 0.0 110.071 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -66.89 -35.32 79.74 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 108.778 179.409 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.412 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.3 mmm -59.96 -36.42 77.07 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.294 0.569 . . . . 0.0 110.103 -179.076 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.38 -34.83 78.09 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.89 -1.131 . . . . 0.0 110.795 -179.283 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.656 ' HB2' HD11 ' A' ' 60' ' ' LEU . 71.6 t80 -59.96 -39.87 87.11 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.974 -1.079 . . . . 0.0 109.339 -179.727 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.295 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.214 -179.062 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 59.6 p -61.51 -40.03 93.14 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.424 -0.798 . . . . 0.0 110.236 -178.378 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 mtm -74.24 -43.96 54.95 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.88 -178.402 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.504 HG22 ' HZ3' ' X' ' 111' ' ' LYS . 51.0 t -59.96 -37.87 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.85 -1.156 . . . . 0.0 110.206 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.7 m -59.96 -37.75 80.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.05 -40.18 73.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.694 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.94 84.21 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.299 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.8 t -59.86 -33.4 71.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.436 -0.79 . . . . 0.0 109.236 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.419 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 14.0 t-80 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.949 -1.094 . . . . 0.0 109.105 -179.581 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.68 -41.24 94.7 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.09 -39.61 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.559 -0.713 . . . . 0.0 109.606 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.309 0.576 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m 57.51 22.71 8.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.475 -0.766 . . . . 0.0 109.43 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -78.04 9.88 3.33 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 109.356 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.87 -38.49 82.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 110.581 -177.597 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.96 -39.91 87.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.813 -1.179 . . . . 0.0 110.049 -179.019 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.466 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.2 mppt? -67.53 -39.57 85.06 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.32 -0.863 . . . . 0.0 109.909 -179.547 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.13 86.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.17 -0.956 . . . . 0.0 110.822 -178.88 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.2 mtt -62.3 -40.04 94.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 109.438 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.34 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.1 96.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.729 -0.607 . . . . 0.0 111.663 -178.461 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.91 -40.04 87.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.643 -1.286 . . . . 0.0 108.395 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.5 mt -66.19 -40.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.696 -0.627 . . . . 0.0 111.05 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.91 -40.06 87.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.712 -1.242 . . . . 0.0 111.762 -178.252 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -39.62 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.298 -0.876 . . . . 0.0 110.722 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.5 -40.06 68.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 0.0 109.055 179.815 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -77.37 -22.18 52.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.941 . . . . 0.0 111.62 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.32 -46.84 76.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.663 -1.273 . . . . 0.0 110.717 -178.413 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 27.2 p90 -114.07 -25.9 8.33 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.376 -0.827 . . . . 0.0 112.339 -177.695 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -67.52 -39.98 85.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.674 -1.267 . . . . 0.0 110.679 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.41 -8.74 60.01 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.484 -178.328 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.521 ' NH1' ' OE2' ' B' ' 34' ' ' GLU . 60.5 mtp180 -60.07 -49.91 75.78 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.596 -1.532 . . . . 0.0 109.074 179.706 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -92.99 166.02 12.58 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.521 0.677 . . . . 0.0 109.814 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.31 -19.02 15.59 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.625 ' CG ' ' HZ1' ' B' ' 26' ' ' LYS . 91.2 m-20 -72.99 51.31 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.004 -1.292 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -71.5 -40.03 70.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.722 -1.236 . . . . 0.0 110.235 179.693 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -89.32 -0.06 57.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.264 -0.897 . . . . 0.0 110.278 -178.485 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.625 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 20.3 pttp -148.35 168.11 23.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 108.888 -179.601 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -123.18 131.57 53.73 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 109.141 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.561 ' O ' ' N ' ' B' ' 30' ' ' SER . 22.2 tptm -106.57 146.12 31.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.147 -0.97 . . . . 0.0 109.231 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ttmm -38.2 -24.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.56 0.695 . . . . 0.0 109.196 178.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.561 ' N ' ' O ' ' B' ' 28' ' ' LYS . 14.3 t -74.64 -50.03 19.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.425 -0.797 . . . . 0.0 109.307 179.386 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 70.2 mt-10 -67.86 -35.16 78.06 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.083 -1.011 . . . . 0.0 108.906 179.002 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.03 -42.76 95.1 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.315 -0.866 . . . . 0.0 109.155 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.407 ' HE2' HD22 ' B' ' 37' ' ' ASN . 85.8 tttt -60.47 -39.63 88.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.203 -0.935 . . . . 0.0 109.186 179.023 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.521 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 86.9 tt0 -62.21 -39.82 94.04 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.907 0.86 . . . . 0.0 109.303 -179.209 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.672 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.9 tm? -60.21 -48.78 80.27 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 120.929 -1.107 . . . . 0.0 108.633 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.04 -47.76 40.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.452 -0.78 . . . . 0.0 112.134 -177.829 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.7 m-20 -79.4 -47.04 16.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.606 -1.309 . . . . 0.0 112.737 -176.292 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -77.17 -50.26 13.36 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 121.514 -0.741 . . . . 0.0 112.932 -176.402 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' B' ' 35' ' ' LEU . 78.3 tt0 -71.68 -40.11 69.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.581 -1.324 . . . . 0.0 110.319 -178.22 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.31 61.88 1.46 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.338 -0.851 . . . . 0.0 108.802 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.1 m -60.01 -39.98 87.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.338 -0.851 . . . . 0.0 110.078 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.69 -14.92 1.62 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.4 t80 -67.26 -35.05 78.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 0.0 109.809 -179.364 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tp -129.9 160.07 34.68 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.66 114.73 5.18 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.736 -1.227 . . . . 0.0 110.029 -178.811 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -59.8 142.03 54.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.8 -0.563 . . . . 0.0 110.267 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.596 HG22 ' H ' ' B' ' 49' ' ' GLU . 5.6 mm -76.12 135.81 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.196 -0.94 . . . . 0.0 108.831 179.375 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -2.41 26.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -178.658 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.596 ' H ' HG22 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -152.52 133.31 14.0 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.973 -1.079 . . . . 0.0 108.993 -179.658 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' B' ' 49' ' ' GLU . 1.0 OUTLIER -60.12 -28.1 67.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.687 . . . . 0.0 111.277 -179.172 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.455 ' N ' ' OE2' ' B' ' 49' ' ' GLU . 18.3 pt-20 -60.28 -36.7 78.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.908 -1.12 . . . . 0.0 109.797 -179.253 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.02 -37.16 71.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.85 -33.71 63.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -66.5 -36.8 83.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.426 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HD3' ' HD1' ' Y' ' 105' ' ' HIS . 55.3 tttm -68.74 -39.69 80.22 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.491 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -38.51 76.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 177.877 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 67.5 mmm -70.82 -23.72 62.41 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.29 -39.91 84.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 119.998 -1.689 . . . . 0.0 106.749 178.746 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -40.35 14.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.598 -0.689 . . . . 0.0 109.635 178.435 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' B' ' 76' ' ' PHE . 1.2 mp -75.63 -27.73 58.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.254 -0.903 . . . . 0.0 110.006 -179.523 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 50.3 t0 -78.77 59.15 2.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 178.876 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -58.95 -35.24 72.82 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -76.43 -11.51 59.9 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.18 29.71 75.74 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.663 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 38.0 p-10 -107.66 10.26 29.04 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.222 -1.164 . . . . 0.0 110.199 -179.409 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.543 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.05 3.63 65.25 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 -179.263 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 93.6 mt-10 -131.61 131.05 42.94 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.71 124.82 42.2 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.531 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.2 t0 -63.37 158.61 20.07 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.325 -0.859 . . . . 0.0 108.757 -178.8 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.2 t80 -48.24 -37.74 16.81 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.169 -0.957 . . . . 0.0 108.77 -179.738 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -69.14 -39.06 79.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.956 -1.09 . . . . 0.0 110.099 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.85 -42.06 99.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.735 -1.228 . . . . 0.0 110.06 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.01 -35.28 79.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.296 -0.877 . . . . 0.0 108.769 179.392 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 76.3 mmm -60.0 -36.46 77.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.255 0.55 . . . . 0.0 110.194 -179.101 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.448 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -67.49 -34.63 77.54 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.633 ' HB2' HD11 ' B' ' 60' ' ' LEU . 72.3 t80 -59.91 -39.86 86.84 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.935 -1.103 . . . . 0.0 109.342 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.466 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.6 t -60.1 -39.35 80.18 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.24 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.217 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 54.1 p -61.57 -40.02 93.23 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.233 -178.341 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.4 mtm -74.43 -43.51 55.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.063 -178.332 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.422 HG22 ' HZ3' ' Y' ' 111' ' ' LYS . 53.0 t -60.05 -38.28 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.983 -1.073 . . . . 0.0 110.048 -178.763 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.2 m -59.85 -37.58 79.65 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -40.18 73.16 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.57 84.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.93 -33.36 71.79 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.469 -0.769 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.436 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 12.2 t-80 -59.94 -40.98 90.82 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.931 -179.61 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.73 -41.25 94.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.0 -1.063 . . . . 0.0 108.179 178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.04 -39.78 75.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 109.514 179.323 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.613 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.471 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.471 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 5.0 t-80 -61.26 -38.82 88.06 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.272 179.604 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -59.65 -35.33 74.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.561 -0.712 . . . . 0.0 109.23 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.9 -41.02 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.665 -1.272 . . . . 0.0 108.426 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.5 -30.17 67.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.441 -0.787 . . . . 0.0 109.805 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' X' ' 112' ' ' THR . 34.0 mmt -54.36 -24.41 19.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.957 -1.09 . . . . 0.0 109.25 -179.578 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -40.33 -35.86 0.47 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.596 -0.69 . . . . 0.0 109.646 -179.839 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.504 ' HZ3' HG22 ' A' ' 80' ' ' VAL . 17.3 mtmt -79.71 -40.01 29.9 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.006 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 3.4 m -65.62 -41.59 92.5 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.519 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.51 2.57 0 C-N-CA 122.909 0.484 . . . . 0.0 . 179.442 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.462 ' NH1' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.411 0.624 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.461 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 5.1 t-80 -61.52 -38.2 86.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.222 -0.924 . . . . 0.0 109.272 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.84 -35.5 74.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 0.0 109.13 -179.324 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.92 -40.95 90.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.616 -1.302 . . . . 0.0 108.577 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.35 -30.06 67.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.298 -0.876 . . . . 0.0 109.803 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.502 ' O ' ' N ' ' Y' ' 112' ' ' THR . 34.5 mmt -54.42 -24.47 20.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.979 -1.076 . . . . 0.0 109.283 -179.599 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -40.39 -36.11 0.51 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.595 -0.691 . . . . 0.0 109.556 -179.892 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.458 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 17.4 mtmt -79.53 -40.04 30.52 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.502 ' N ' ' O ' ' Y' ' 109' ' ' MET . 3.6 m -65.72 -40.57 92.36 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.443 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.511 2.604 0 C-N-CA 122.923 0.489 . . . . 0.0 . 179.457 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.36 0.6 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 58.48 24.62 12.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.445 -0.784 . . . . 0.0 109.787 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.06 13.01 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -0.815 . . . . 0.0 108.886 179.232 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -58.65 -35.13 72.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 0.0 109.775 -178.423 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.928 -1.108 . . . . 0.0 109.269 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -66.28 -40.01 89.78 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.494 -0.754 . . . . 0.0 110.251 -179.572 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.0 77.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.283 -0.885 . . . . 0.0 111.863 -177.671 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.465 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 37.1 mtt -67.24 -38.34 85.04 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.856 -1.152 . . . . 0.0 109.457 -179.069 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.19 -36.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.753 -0.592 . . . . 0.0 109.849 -179.617 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.66 77.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.571 -0.706 . . . . 0.0 111.477 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.98 -40.09 87.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.835 -1.165 . . . . 0.0 108.575 -179.087 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.48 -38.42 76.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.2 t0 -60.17 -44.6 94.9 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.915 -1.115 . . . . 0.0 111.04 -179.45 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.06 -39.22 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.076 -1.015 . . . . 0.0 109.097 -179.526 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -52.75 -39.7 62.44 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.661 -1.274 . . . . 0.0 108.919 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.97 -21.42 63.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.417 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -45.36 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.197 -0.939 . . . . 0.0 110.0 -178.679 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -97.41 -34.58 10.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.83 -1.169 . . . . 0.0 111.71 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -60.83 -43.12 98.69 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 120.846 -1.159 . . . . 0.0 110.392 -178.327 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -11.16 82.2 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.01 -43.14 95.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.232 -1.158 . . . . 0.0 109.317 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.49 169.51 8.91 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.662 0.744 . . . . 0.0 110.074 -179.219 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.03 -32.04 62.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 26' ' ' LYS . 10.2 t0 -74.01 68.03 1.33 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.572 -1.546 . . . . 0.0 109.292 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -69.97 -40.05 75.6 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.439 -0.788 . . . . 0.0 110.607 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -81.07 -13.88 58.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.127 . . . . 0.0 110.879 -178.302 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 9.1 mtpm? -139.28 152.92 47.64 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -179.179 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.15 125.92 54.64 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.127 0.489 . . . . 0.0 110.628 -178.837 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -93.12 151.55 19.78 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.353 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -43.59 -22.67 0.05 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.848 -1.158 . . . . 0.0 108.75 -179.842 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LYS . 45.8 t -69.95 -49.3 53.21 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.078 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.75 -33.63 72.71 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.743 -1.223 . . . . 0.0 108.38 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.98 -39.1 84.54 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.807 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.02 -40.05 87.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.443 -0.786 . . . . 0.0 110.047 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.54 -39.3 74.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.012 -1.055 . . . . 0.0 110.383 -178.667 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.83 -50.66 68.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.761 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.512 HG23 HD12 ' A' ' 40' ' ' LEU . 55.7 mt -73.2 -42.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.614 -0.679 . . . . 0.0 111.331 -177.676 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -69.73 -38.5 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.914 -1.116 . . . . 0.0 111.503 -178.135 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -99.22 -34.89 10.17 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.904 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -79.9 -10.92 59.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.228 -1.545 . . . . 0.0 110.237 -177.291 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 HG23 ' A' ' 36' ' ' ILE . 27.9 mt -117.37 46.62 1.67 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 0.0 110.443 -178.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -125.95 -6.53 6.7 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.274 -0.891 . . . . 0.0 110.279 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.456 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -61.77 -48.84 78.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 108.62 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.32 -176.56 5.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.0 110.699 -179.397 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 51.7 tp10 -54.57 98.74 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.61 162.51 12.85 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.544 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.0 139.65 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.98 . . . . 0.0 109.833 -179.172 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -113.66 -26.58 8.18 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.501 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -121.17 147.28 45.81 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.757 0.789 . . . . 0.0 110.283 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -70.02 -21.32 63.21 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.692 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.4 pt-20 -60.29 -39.98 88.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 110.656 -179.177 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 60.4 t -60.02 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.73 -38.08 80.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.333 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.028 0.918 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.58 -29.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.026 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -64.83 -35.18 80.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.36 -39.77 73.43 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.27 -1.519 . . . . 0.0 106.916 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 m -79.23 -44.88 20.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.577 -0.702 . . . . 0.0 111.609 179.504 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 17.4 mt -88.7 -18.29 28.18 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.702 -1.248 . . . . 0.0 111.16 -177.932 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 57' ' ' MET . 30.9 t0 -81.33 61.48 4.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 179.233 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -60.0 -40.0 87.71 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.629 -177.781 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 40.4 p-10 -89.94 -0.78 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.067 -1.02 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.13 39.74 97.44 Favored Glycine 0 N--CA 1.495 2.582 0 C-N-CA 119.52 -1.324 . . . . 0.0 109.813 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.8 p-10 -103.22 -0.99 29.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -1.135 . . . . 0.0 109.966 -179.552 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.52 -1.12 73.29 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.76 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 20.8 pt-20 -140.04 137.37 34.54 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.6 128.55 45.71 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.51 170.12 13.99 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.426 ' CE2' HG23 ' B' ' 82' ' ' THR . 5.9 t80 -48.86 -40.01 27.93 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.568 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.02 -49.39 70.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.753 -0.592 . . . . 0.0 111.048 179.711 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -60.05 -41.45 92.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.972 -1.08 . . . . 0.0 110.656 -178.474 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -70.87 -26.96 63.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.884 -1.135 . . . . 0.0 108.229 178.67 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -59.95 -39.91 87.22 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.94 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.37 -32.24 69.84 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.132 -0.98 . . . . 0.0 110.56 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.95 -40.15 88.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.639 -1.288 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.59 -35.34 74.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.605 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.514 ' O ' ' SD ' ' B' ' 74' ' ' MET . 7.7 t -60.82 -44.86 96.36 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.853 0.835 . . . . 0.0 110.537 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.55 ' C ' ' HZ2' ' X' ' 111' ' ' LYS . 79.5 mtp -69.93 -40.62 75.42 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.694 -0.629 . . . . 0.0 111.59 -177.729 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.97 -32.07 50.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.863 -1.148 . . . . 0.0 109.888 -179.048 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -40.0 87.73 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.871 0.843 . . . . 0.0 109.022 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.433 HG23 ' CE2' ' B' ' 70' ' ' PHE . 2.0 m -58.99 -39.86 83.12 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.71 75.65 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.359 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.04 -34.01 72.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.541 -0.725 . . . . 0.0 109.233 179.442 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.28 -43.72 92.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.947 . . . . 0.0 108.63 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -39.96 95.66 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.882 178.474 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -67.81 -40.04 83.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.836 . . . . 0.0 110.371 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.334 -0.854 . . . . 0.0 110.028 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.323 0.582 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.429 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 59.17 24.25 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.728 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.01 13.29 0.9 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.382 -0.824 . . . . 0.0 108.885 179.281 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.6 tp -58.88 -35.24 72.66 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.737 -178.576 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 0.0 109.298 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -66.13 -40.03 90.34 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.538 -0.726 . . . . 0.0 110.294 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.94 77.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 111.858 -177.701 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.456 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 37.1 mtt -67.08 -38.52 85.89 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.936 -1.102 . . . . 0.0 109.515 -179.116 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.11 -36.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.776 -0.577 . . . . 0.0 109.89 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.64 77.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 111.535 -177.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.872 -1.142 . . . . 0.0 108.468 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt -69.38 -38.56 77.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -60.16 -44.36 95.08 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.897 -1.127 . . . . 0.0 110.998 -179.443 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -38.96 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.121 -179.449 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.82 -39.79 62.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.772 -1.205 . . . . 0.0 108.829 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.98 -21.41 63.24 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.039 -1.038 . . . . 0.0 109.39 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -45.58 92.07 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.199 -0.938 . . . . 0.0 110.084 -178.744 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.34 -34.37 11.08 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.882 -1.136 . . . . 0.0 111.713 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t -60.95 -43.09 99.22 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 110.517 -178.345 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -11.03 82.3 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.03 -43.26 95.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -1.155 . . . . 0.0 109.336 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.53 169.2 9.14 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.61 0.719 . . . . 0.0 110.089 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.21 61.89 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.3 t0 -73.71 68.0 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.574 -1.545 . . . . 0.0 109.282 -179.221 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 18' ' ' SER . 12.9 ttmm -69.98 -39.97 75.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.381 -0.825 . . . . 0.0 110.659 -179.818 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -81.01 -14.19 58.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.927 -1.108 . . . . 0.0 110.952 -178.335 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 9.0 mtpm? -139.07 152.96 47.96 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.003 -1.061 . . . . 0.0 110.338 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -112.13 125.87 54.58 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.7 tttt -92.99 151.39 19.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.319 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -43.64 -22.64 0.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 108.758 -179.691 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.1 t -69.96 -49.12 54.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.062 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.77 -33.53 72.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.762 -1.211 . . . . 0.0 108.45 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -39.15 84.87 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.785 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.494 -0.753 . . . . 0.0 110.03 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.63 -38.87 73.93 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.013 -1.054 . . . . 0.0 110.409 -178.62 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.32 -50.57 67.27 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.785 -1.197 . . . . 0.0 109.686 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.513 HG23 HD12 ' B' ' 40' ' ' LEU . 61.4 mt -73.1 -43.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.617 -0.677 . . . . 0.0 111.261 -177.789 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.51 -38.77 77.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.817 -1.177 . . . . 0.0 111.504 -178.077 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -99.01 -34.9 10.23 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -79.72 -10.97 59.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.164 -1.585 . . . . 0.0 110.189 -177.28 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.513 HD12 HG23 ' B' ' 36' ' ' ILE . 29.1 mt -117.42 46.5 1.7 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.463 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -60.05 -39.94 87.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.835 . . . . 0.0 110.438 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -125.66 -6.57 6.87 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.322 -0.861 . . . . 0.0 110.302 -179.527 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -61.8 -48.78 79.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.04 -1.038 . . . . 0.0 108.629 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.39 -176.52 5.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.098 -1.001 . . . . 0.0 110.676 -179.356 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 51.4 tp10 -54.59 98.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.592 0.71 . . . . 0.0 109.43 -179.612 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.5 162.52 12.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.505 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.01 139.67 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.856 -179.158 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -113.6 -26.64 8.17 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.471 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -121.1 147.13 45.98 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 121.843 0.83 . . . . 0.0 110.358 -179.863 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -70.05 -21.12 63.2 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.3 pt-20 -60.39 -40.01 89.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.571 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 60.0 t -60.03 -40.08 82.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.68 -38.23 81.07 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.78 -39.86 93.18 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.084 0.945 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.449 ' HZ3' ' CE1' ' Y' ' 105' ' ' HIS . 2.8 ttmp? -65.17 -40.04 93.73 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.43 -29.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.935 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -64.86 -35.14 80.17 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.151 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.34 -39.58 73.07 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.2 m -79.44 -45.02 20.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.582 -0.699 . . . . 0.0 111.587 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 17.1 mt -88.57 -18.36 28.24 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.735 -1.228 . . . . 0.0 111.167 -177.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' MET . 32.6 t0 -81.37 61.48 4.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.232 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -60.03 -40.02 87.9 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.655 -177.793 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 40.2 p-10 -89.99 -0.59 57.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.085 -1.009 . . . . 0.0 109.432 -179.584 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.06 39.96 97.7 Favored Glycine 0 N--CA 1.493 2.489 0 C-N-CA 119.526 -1.321 . . . . 0.0 109.838 179.205 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 34.1 p-10 -103.52 -1.1 28.91 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.215 -1.168 . . . . 0.0 110.014 -179.509 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.39 -0.95 73.23 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.812 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 20.9 pt-20 -140.19 137.43 34.34 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.437 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.67 128.76 45.77 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.051 -1.031 . . . . 0.0 108.221 -179.907 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -71.58 170.38 13.52 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.558 -0.714 . . . . 0.0 109.361 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CE2' HG23 ' A' ' 82' ' ' THR . 5.7 t80 -49.21 -39.99 31.81 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.157 -0.964 . . . . 0.0 108.519 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -64.8 -49.37 70.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.885 -0.509 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -60.07 -41.78 93.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 110.577 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.85 -26.54 63.32 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.03 87.83 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.057 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.16 69.62 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.181 -0.95 . . . . 0.0 110.636 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.08 -40.15 88.55 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.663 -1.273 . . . . 0.0 110.253 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.407 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.55 -35.45 74.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.604 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.52 ' O ' ' SD ' ' A' ' 74' ' ' MET . 7.7 t -60.64 -45.08 95.43 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.865 0.84 . . . . 0.0 110.476 -179.42 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.61 ' C ' ' HZ2' ' Y' ' 111' ' ' LYS . 80.1 mtp -69.78 -40.51 76.01 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.614 -0.679 . . . . 0.0 111.696 -177.692 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.0 -32.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.912 -1.117 . . . . 0.0 109.816 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.821 0.819 . . . . 0.0 109.0 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.426 HG23 ' CE2' ' A' ' 70' ' ' PHE . 2.0 m -58.86 -39.96 82.89 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.7 75.45 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.02 -34.19 73.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.554 -0.716 . . . . 0.0 109.204 179.49 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.03 -43.87 91.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.102 -0.999 . . . . 0.0 108.579 -179.892 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.467 -0.893 . . . . 0.0 108.911 178.565 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.89 -39.99 83.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.34 -0.85 . . . . 0.0 109.981 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.09 0.471 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.598 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 2.9 p-80 -59.23 -37.48 77.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.715 -1.241 . . . . 0.0 108.798 -179.208 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.598 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 86.8 tttt -59.95 -30.47 69.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.317 -0.864 . . . . 0.0 109.226 179.73 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -59.9 -40.02 87.36 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.876 -1.14 . . . . 0.0 108.379 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.546 HD11 ' HZ3' ' X' ' 111' ' ' LYS . 23.2 tp -72.36 -26.48 61.92 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.759 0.79 . . . . 0.0 109.079 179.028 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.419 ' O ' ' C ' ' X' ' 110' ' ' PHE . 20.9 mmt -65.06 -24.22 67.4 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.974 -1.079 . . . . 0.0 109.953 179.243 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -39.96 -46.71 2.11 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.361 -0.837 . . . . 0.0 110.64 -177.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 41.5 pttt -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 109.821 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' X' X ' 112' ' ' THR . . . . . 0.402 ' N ' ' O ' ' X' ' 109' ' ' MET . 81.1 p -62.39 -29.03 70.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.083 -1.01 . . . . 0.0 109.138 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.425 -0.797 . . . . 0.0 . 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.593 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 2.9 p-80 -59.12 -37.54 77.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.723 -1.235 . . . . 0.0 108.939 -179.323 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.593 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.294 -0.879 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -60.02 -39.94 87.6 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.971 -1.081 . . . . 0.0 108.345 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.41 HD11 ' HZ3' ' Y' ' 111' ' ' LYS . 22.8 tp -72.57 -26.38 61.7 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.679 0.752 . . . . 0.0 108.974 179.044 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -65.0 -24.17 67.43 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.961 -1.087 . . . . 0.0 109.936 179.168 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.7 p90 -39.98 -46.71 2.12 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.297 -0.877 . . . . 0.0 110.577 -178.043 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.61 ' HZ2' ' C ' ' B' ' 79' ' ' MET . 42.8 pttt -80.0 -29.2 39.4 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 109.761 -179.941 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 82.7 p -60.29 -30.06 69.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.078 -1.014 . . . . 0.0 109.354 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.406 -0.809 . . . . 0.0 . -179.599 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 ptm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.421 0.629 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t 62.08 19.46 10.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.324 -0.86 . . . . 0.0 109.552 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.73 -7.31 55.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.758 0.79 . . . . 0.0 109.079 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.02 -21.87 1.39 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.757 -0.59 . . . . 0.0 110.098 -178.536 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.7 -38.32 80.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.44 -1.412 . . . . 0.0 108.98 179.543 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -69.33 -36.91 77.41 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.55 88.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.538 -0.726 . . . . 0.0 111.091 -178.894 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.9 mtt -65.1 -39.96 93.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.025 -1.047 . . . . 0.0 109.16 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.66 -38.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.28 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.76 -0.587 . . . . 0.0 111.295 -178.561 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.616 -1.303 . . . . 0.0 108.222 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.54 -39.12 78.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.754 -0.591 . . . . 0.0 110.356 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 57.9 t0 -59.98 -45.85 91.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.092 -1.005 . . . . 0.0 111.545 -177.913 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -36.53 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.091 -1.006 . . . . 0.0 110.126 -178.54 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.8 -40.01 65.96 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.14 -22.84 57.89 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 111.505 -179.201 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.937 -1.102 . . . . 0.0 111.404 -177.261 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.403 ' CE1' HD12 ' A' ' 35' ' ' LEU . 15.6 p90 -119.08 -23.16 6.93 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 121.163 -0.961 . . . . 0.0 111.353 -179.162 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.43 -43.32 77.4 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.645 -1.285 . . . . 0.0 110.138 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -3.54 65.18 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.618 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 20' ' ' ARG . 18.8 ttt-85 -59.94 -44.92 94.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -1.082 . . . . 0.0 109.945 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.2 tp10 -114.3 158.89 20.83 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.617 -0.677 . . . . 0.0 109.544 -179.221 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -40.95 -20.01 0.03 OUTLIER Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.429 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m-20 -71.73 46.82 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.934 -1.333 . . . . 0.0 109.116 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' GLY . 76.6 tttt -70.83 -45.3 64.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.935 -1.103 . . . . 0.0 110.342 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -77.62 -20.1 54.43 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.272 -0.893 . . . . 0.0 110.984 -178.281 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' O ' ' O ' ' A' ' 23' ' ' ASP . 26.0 pttm -134.62 159.7 40.42 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.184 -0.948 . . . . 0.0 108.494 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -112.48 130.17 56.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.201 -0.937 . . . . 0.0 108.883 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.7 tttm -103.68 145.45 30.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.117 -0.99 . . . . 0.0 109.189 -179.493 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LYS . 49.1 pttt -40.59 -23.41 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.802 0.811 . . . . 0.0 109.366 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.12 -50.57 32.11 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.977 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.12 -32.94 72.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.012 -1.055 . . . . 0.0 108.856 179.426 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.0 -40.23 88.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.261 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.46 -38.51 90.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.641 -0.662 . . . . 0.0 109.404 179.09 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.02 -39.9 93.84 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.0 110.245 -178.378 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -69.67 -44.93 69.49 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 120.342 -1.474 . . . . 0.0 108.941 -179.863 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' N ' HD23 ' A' ' 35' ' ' LEU . 66.0 mt -70.79 -42.61 77.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 120.873 -1.142 . . . . 0.0 111.318 -177.611 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -82.15 -33.43 29.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.518 -1.364 . . . . 0.0 112.032 -177.797 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -99.7 -36.13 9.58 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.311 -0.868 . . . . 0.0 113.133 -177.201 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.62 -21.18 22.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.372 -1.455 . . . . 0.0 110.165 -177.724 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -115.4 58.14 0.73 Allowed 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -60.07 -40.5 89.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.383 -0.823 . . . . 0.0 111.09 -178.363 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -135.52 -14.2 1.95 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.055 -1.028 . . . . 0.0 110.562 -179.421 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 t80 -66.95 -38.62 86.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.841 -1.162 . . . . 0.0 109.145 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -127.06 162.17 26.7 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.254 -0.904 . . . . 0.0 108.591 179.734 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 6.4 pt-20 -54.97 109.23 0.49 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.059 -1.026 . . . . 0.0 109.53 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.87 140.23 57.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.088 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mm -86.79 136.67 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.048 -1.033 . . . . 0.0 108.969 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -108.15 -27.4 10.1 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.354 -0.841 . . . . 0.0 109.145 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -120.96 139.99 52.49 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.636 -0.665 . . . . 0.0 109.849 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.36 -21.0 66.23 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.063 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.6 pt-20 -58.4 -39.45 79.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 109.473 -178.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 82.5 t -60.04 -36.1 65.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.487 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.53 -35.78 71.84 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.793 -179.401 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.46 -37.37 84.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.3 -39.99 81.86 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.78 -32.89 60.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.609 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.3 mmm -70.19 -28.64 65.47 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.224 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.9 -39.95 83.02 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.057 -1.652 . . . . 0.0 106.961 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 m -83.82 -40.02 19.24 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.762 -0.586 . . . . 0.0 110.826 179.235 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 76' ' ' PHE . 42.8 tp -86.75 -18.75 30.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.3 -177.553 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.6 t0 -81.09 63.49 5.47 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 177.922 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -57.86 -39.93 78.96 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -69.98 -16.75 63.23 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.891 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.19 74.6 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 27.6 p-10 -107.12 8.75 30.34 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.274 -1.133 . . . . 0.0 110.264 -179.533 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 5.65 87.57 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 78.6 mt-10 -139.5 148.79 43.15 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 13.0 p -115.29 131.05 57.05 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.81 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' PHE . 95.6 m-20 -71.63 160.01 33.4 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.356 -0.84 . . . . 0.0 109.41 -178.84 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.5 t80 -47.65 -39.1 16.26 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.042 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.9 -50.99 71.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.62 -0.675 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 60' ' ' LEU . 88.3 mt-10 -61.61 -41.3 97.27 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.084 -1.01 . . . . 0.0 110.409 -178.502 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 47.5 t80 -60.0 -38.54 82.94 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.387 -0.821 . . . . 0.0 110.066 179.274 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.9 mmm -59.92 -37.99 81.06 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.739 -0.601 . . . . 0.0 110.871 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.81 76.27 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.558 -1.257 . . . . 0.0 110.702 -178.628 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 60' ' ' LEU . 73.4 t80 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.089 -1.007 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -61.11 -39.23 81.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-O 121.507 0.67 . . . . 0.0 109.523 -179.748 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -61.88 -40.93 97.08 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.57 -0.706 . . . . 0.0 110.465 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 mtm -70.41 -43.81 69.23 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.541 -178.788 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.01 -39.86 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.192 -0.943 . . . . 0.0 110.32 -178.4 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.02 -40.01 87.85 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -51.52 -38.53 54.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.751 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.55 87.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.325 -0.86 . . . . 0.0 108.907 178.674 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 88' ' ' PHE . 25.3 t -59.95 -38.61 82.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 109.801 -179.66 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.35 -39.59 83.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.887 -1.133 . . . . 0.0 109.057 -179.527 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -37.81 80.84 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.86 -23.96 20.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.197 -0.94 . . . . 0.0 109.186 179.766 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.545 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 8.5 ptm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t 61.89 19.36 10.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.556 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.71 -7.33 55.13 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.727 0.775 . . . . 0.0 109.126 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.4 HD23 ' C ' ' B' ' 3' ' ' LEU . 1.3 tt -50.11 -21.69 1.38 Allowed 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.737 -0.602 . . . . 0.0 110.238 -178.562 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.81 -38.62 80.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.453 -1.405 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -69.0 -37.03 78.49 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.882 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.24 87.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.518 -0.739 . . . . 0.0 111.145 -178.898 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.1 mtt -65.38 -39.97 92.9 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.975 -1.078 . . . . 0.0 109.127 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.0 t -64.61 -38.21 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.35 -179.531 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.18 85.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.76 -0.588 . . . . 0.0 111.334 -178.555 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.92 -39.94 87.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.619 -1.301 . . . . 0.0 108.244 -179.311 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.8 -38.98 77.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.672 -0.643 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.04 -45.91 91.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.106 -0.996 . . . . 0.0 111.456 -177.899 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -36.49 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.048 -1.033 . . . . 0.0 110.148 -178.576 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.01 -40.0 66.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.153 -0.967 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.11 -22.91 57.92 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 111.534 -179.231 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.863 -1.148 . . . . 0.0 111.421 -177.29 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.413 ' CE1' HD12 ' B' ' 35' ' ' LEU . 15.9 p90 -118.91 -23.12 7.04 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.127 -0.983 . . . . 0.0 111.352 -179.128 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -68.45 -43.63 76.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.687 -1.258 . . . . 0.0 110.146 -179.439 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.75 -3.52 63.68 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' B' ' 20' ' ' ARG . 19.1 ttt-85 -60.06 -44.84 94.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -1.081 . . . . 0.0 110.019 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.3 tp10 -114.28 158.87 20.84 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.595 -0.691 . . . . 0.0 109.525 -179.284 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -41.01 -19.99 0.03 OUTLIER Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.435 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 21' ' ' GLU . 83.7 m-20 -71.76 47.23 0.13 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.858 -1.377 . . . . 0.0 109.031 -179.815 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' GLY . 76.3 tttt -71.19 -45.11 64.09 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -77.61 -20.37 54.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.207 -0.933 . . . . 0.0 111.025 -178.328 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.0 pttm -134.33 159.79 39.93 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.137 -0.977 . . . . 0.0 108.37 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -112.44 130.3 56.03 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 108.816 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.2 tttm -103.83 145.19 30.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.139 -0.976 . . . . 0.0 109.251 -179.518 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 47.5 pttt -40.4 -23.48 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.783 0.801 . . . . 0.0 109.454 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -70.88 -50.75 31.74 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.954 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.94 -33.22 73.37 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 108.84 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.95 -40.03 87.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.332 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.54 -38.48 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.572 -0.705 . . . . 0.0 109.29 179.136 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.98 -39.99 94.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.312 -0.868 . . . . 0.0 110.276 -178.323 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -69.51 -45.07 69.74 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 120.452 -1.405 . . . . 0.0 108.935 -179.914 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.405 ' N ' HD23 ' B' ' 35' ' ' LEU . 67.2 mt -70.73 -42.71 77.67 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 120.94 -1.1 . . . . 0.0 111.436 -177.548 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -82.15 -33.39 29.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.541 -1.349 . . . . 0.0 112.012 -177.786 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -99.68 -35.99 9.64 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 121.34 -0.85 . . . . 0.0 113.21 -177.245 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -89.77 -21.17 22.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.433 -1.417 . . . . 0.0 110.177 -177.738 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.5 mt -115.39 58.25 0.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -40.48 89.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.398 -0.813 . . . . 0.0 111.092 -178.388 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -135.71 -14.3 1.9 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.036 -1.04 . . . . 0.0 110.54 -179.335 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 2.5 t80 -66.87 -38.68 86.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.88 -1.138 . . . . 0.0 109.134 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -126.86 162.42 25.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.177 -0.952 . . . . 0.0 108.581 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 6.3 pt-20 -55.41 109.33 0.53 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.974 -1.079 . . . . 0.0 109.49 -179.48 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.86 140.3 57.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 109.14 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -86.91 136.46 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 108.928 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -108.09 -27.04 10.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.388 -0.82 . . . . 0.0 109.168 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.26 139.98 52.67 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.574 -0.704 . . . . 0.0 109.874 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.36 -21.27 66.24 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.0 pt-20 -58.2 -39.58 79.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.159 -0.963 . . . . 0.0 109.46 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.409 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 78.2 t -60.02 -36.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.149 -0.97 . . . . 0.0 108.524 179.496 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.2 t -68.62 -35.75 71.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 120.009 -0.677 . . . . 0.0 109.761 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.4 -37.36 85.06 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.296 -0.878 . . . . 0.0 109.718 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -68.25 -40.03 82.06 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 t -65.91 -32.78 59.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.628 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.4 mmm -70.23 -28.69 65.45 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.182 179.39 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -58.69 -40.02 82.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.085 -1.634 . . . . 0.0 107.044 178.644 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.9 m -83.87 -40.0 19.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.826 -0.546 . . . . 0.0 110.873 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' B' ' 76' ' ' PHE . 43.0 tp -86.77 -18.77 30.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.116 -0.99 . . . . 0.0 110.264 -177.506 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' B' ' 57' ' ' MET . 51.7 t0 -80.97 63.57 5.4 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.886 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -57.92 -39.99 79.31 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -178.545 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.6 30.17 74.62 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.523 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 27.2 p-10 -107.25 8.82 30.11 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.233 -1.157 . . . . 0.0 110.308 -179.513 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.24 5.67 87.49 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.438 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 78.9 mt-10 -139.37 148.87 43.46 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.599 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.7 p -115.4 130.82 57.01 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.808 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 70' ' ' PHE . 95.4 m-20 -71.39 159.98 33.58 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 -178.845 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 69' ' ' ASP . 4.6 t80 -47.71 -38.82 16.0 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.37 -50.56 72.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.644 -0.66 . . . . 0.0 109.967 178.661 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.431 ' O ' HD11 ' B' ' 60' ' ' LEU . 88.3 mt-10 -61.8 -41.2 97.44 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.111 -0.993 . . . . 0.0 110.405 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 48.4 t80 -60.15 -38.48 83.25 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.344 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.94 -38.34 82.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.763 -0.585 . . . . 0.0 110.755 -177.58 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.67 76.42 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.493 -1.283 . . . . 0.0 110.752 -178.349 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.454 ' HB2' HD13 ' B' ' 60' ' ' LEU . 73.6 t80 -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.608 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.447 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -61.09 -39.1 81.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 121.471 0.653 . . . . 0.0 109.554 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -61.95 -40.95 97.3 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.614 -0.679 . . . . 0.0 110.403 -178.381 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.3 mtm -70.46 -44.06 68.55 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.04 -39.58 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.288 -178.405 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -39.97 87.61 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -51.65 -38.45 54.86 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.52 87.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 108.949 178.689 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 88' ' ' PHE . 24.8 t -60.06 -38.53 83.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.432 -0.793 . . . . 0.0 109.828 -179.643 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.43 -39.5 83.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.914 -1.116 . . . . 0.0 109.117 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -37.81 80.79 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.062 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -90.77 -24.03 20.47 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.175 -0.953 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 120.773 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.8 OUTLIER -58.85 -34.75 71.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.683 -1.261 . . . . 0.0 109.53 -178.976 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 86.1 tttt -59.96 -37.69 80.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.062 -1.024 . . . . 0.0 108.261 179.005 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.64 -40.01 68.56 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 108.59 -179.601 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.03 -27.02 60.74 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.46 -0.775 . . . . 0.0 110.296 179.423 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.421 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.4 mmt -53.8 -24.51 15.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.664 -1.273 . . . . 0.0 109.385 -179.056 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.8 p90 -42.18 -37.01 1.33 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.323 -0.861 . . . . 0.0 110.173 -178.906 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' X' ' 110' ' ' PHE . 4.7 mtmp? -79.56 -37.56 36.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.849 -1.157 . . . . 0.0 109.479 177.802 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 76.8 p -59.28 -31.14 68.84 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' X' X ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 73.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.428 -0.795 . . . . 0.0 . 178.803 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.499 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 120.796 0.331 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.647 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.7 OUTLIER -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.72 -1.238 . . . . 0.0 109.508 -178.961 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.647 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.97 -38.2 81.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.34 -40.03 67.65 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.496 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.22 -26.56 60.32 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 179.406 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 16.1 mmt -54.19 -24.5 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.517 -1.364 . . . . 0.0 109.389 -179.218 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.483 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.8 p90 -42.08 -36.98 1.28 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.408 -0.808 . . . . 0.0 110.239 -178.925 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.483 ' HG3' ' CZ ' ' Y' ' 110' ' ' PHE . 4.5 mtmp? -79.69 -37.2 36.3 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.778 -1.201 . . . . 0.0 109.526 177.815 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . 0.403 ' N ' ' O ' ' Y' ' 109' ' ' MET . 82.0 p -59.97 -30.15 68.9 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.776 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 73.3 mm-40 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.456 -0.777 . . . . 0.0 . 178.726 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.466 ' C ' ' N ' ' A' ' 2' ' ' GLU . 78.6 mtm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p 51.21 14.63 0.23 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.214 -0.929 . . . . 0.0 108.858 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 0' ' ' MET . 82.8 tt0 -70.03 -1.47 9.9 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.833 0.825 . . . . 0.0 109.153 179.614 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.0 -36.53 77.39 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.29 -0.881 . . . . 0.0 112.34 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.91 -39.99 87.3 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.451 -1.405 . . . . 0.0 109.61 -178.486 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.345 -0.847 . . . . 0.0 109.763 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.91 83.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 0.0 110.801 -178.75 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -62.45 -40.01 95.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 109.438 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.03 -38.76 82.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.0 94.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.875 -0.515 . . . . 0.0 111.724 -178.366 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.07 -40.0 87.99 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.567 -1.333 . . . . 0.0 108.486 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.73 -38.81 79.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.723 -0.61 . . . . 0.0 110.522 -179.298 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.99 -40.01 94.32 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.653 -1.279 . . . . 0.0 110.611 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -38.84 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.286 -0.884 . . . . 0.0 109.149 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.443 ' O ' ' OG ' ' A' ' 18' ' ' SER . 58.9 t80 -51.56 -39.99 58.89 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.918 -1.114 . . . . 0.0 108.577 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -80.03 -22.18 42.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 0.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -52.7 -48.28 66.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.898 -1.126 . . . . 0.0 110.402 -178.313 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.779 ' OH ' HD12 ' A' ' 35' ' ' LEU . 20.8 p90 -111.19 -25.64 9.61 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.418 -0.801 . . . . 0.0 111.806 -178.434 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 57.5 m -60.03 -39.97 87.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.519 -1.363 . . . . 0.0 109.953 -178.404 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -2.37 77.85 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 69.2 ttt180 -59.96 -49.71 76.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.18 -1.188 . . . . 0.0 109.772 -179.664 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.01 -76.03 0.42 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.116 -0.99 . . . . 0.0 109.791 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.36 -22.25 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.298 -1.43 . . . . 0.0 110.696 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 26' ' ' LYS . 62.5 m-20 -77.75 70.19 4.09 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.594 -1.533 . . . . 0.0 108.896 -179.842 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.71 -40.54 95.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.917 -179.676 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -90.03 -0.25 57.49 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.979 -1.075 . . . . 0.0 111.368 -178.316 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' ASP . 25.8 ttmt -149.25 154.62 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.666 -1.271 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD21 ' OG ' ' A' ' 18' ' ' SER . 43.7 mt -117.43 137.94 52.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.505 -0.747 . . . . 0.0 109.52 179.853 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.1 ttmt -108.04 147.91 30.49 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.273 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.9 ttmp? -38.76 -25.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.696 0.76 . . . . 0.0 109.186 179.505 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LYS . 79.4 p -78.28 -46.88 19.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.279 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 98.0 mt-10 -69.96 -35.35 74.39 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.372 -0.83 . . . . 0.0 108.827 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.426 -0.797 . . . . 0.0 109.168 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 63.1 mm-40 -60.94 -36.34 79.08 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.779 HD12 ' OH ' ' A' ' 17' ' ' TYR . 3.1 tt -59.98 -52.89 63.47 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-O 122.557 1.17 . . . . 0.0 108.173 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.62 -45.97 27.99 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.221 -0.924 . . . . 0.0 112.762 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -73.06 -36.33 66.86 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.881 -1.137 . . . . 0.0 112.34 -176.864 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -97.05 -37.1 10.28 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.568 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.9 mt-10 -98.14 -20.94 17.01 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 120.411 -1.43 . . . . 0.0 111.796 -177.77 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 39' ' ' GLU . 7.0 mt -129.31 56.52 1.69 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.26 -0.9 . . . . 0.0 109.018 -179.697 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 44' ' ' LEU . 8.1 m -78.89 -67.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 109.917 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -78.49 -39.97 36.73 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.948 . . . . 0.0 110.63 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.2 -35.86 78.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.186 -0.946 . . . . 0.0 110.329 -178.818 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 34.4 tp -128.34 159.88 33.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.322 -0.861 . . . . 0.0 108.745 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.65 107.6 0.27 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.03 -1.044 . . . . 0.0 109.09 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.63 145.17 50.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.691 . . . . 0.0 109.276 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.592 HG21 HG23 ' A' ' 53' ' ' VAL . 39.5 mm -80.14 141.05 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 0.0 109.061 179.879 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -107.34 -21.93 12.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.533 -0.729 . . . . 0.0 109.288 -179.005 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.34 154.06 45.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.28 -0.888 . . . . 0.0 110.664 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -68.62 -22.51 64.43 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.1 -39.13 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.14 -0.975 . . . . 0.0 110.409 -179.486 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG21 ' NE2' ' X' ' 105' ' ' HIS . 63.0 t -61.26 -40.04 84.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.017 -1.052 . . . . 0.0 108.652 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.592 HG23 HG21 ' A' ' 47' ' ' ILE . 46.8 t -62.75 -39.87 86.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.447 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -60.08 -40.01 88.09 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.616 -0.677 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.92 -31.52 54.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.255 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.7 mmm -70.08 -27.2 64.43 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.422 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.25 -39.87 80.28 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 178.212 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.6 m -79.63 -40.89 28.19 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.666 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 76' ' ' PHE . 2.8 mp -88.93 -18.04 28.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.13 . . . . 0.0 110.155 -178.268 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.9 t0 -81.66 62.02 5.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.533 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.89 -34.56 73.34 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -79.29 -8.53 59.12 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.57 78.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.87 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.0 p-10 -106.86 2.24 25.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.234 -1.156 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 79.97 4.43 89.6 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.232 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 59.1 mt-10 -136.19 134.71 38.47 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.9 p -104.18 129.79 51.94 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.236 -0.915 . . . . 0.0 109.393 179.888 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.02 164.98 24.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.237 -0.915 . . . . 0.0 109.247 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.74 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.031 -1.043 . . . . 0.0 108.465 -179.073 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.51 -37.7 77.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.137 -0.977 . . . . 0.0 108.719 178.56 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 46.3 mt-10 -66.81 -40.03 87.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 0.0 109.027 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CE1' HD11 ' A' ' 35' ' ' LEU . 2.4 t80 -62.37 -35.64 79.78 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -36.53 77.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.387 0.613 . . . . 0.0 110.441 -178.007 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.73 76.28 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 118.841 -1.143 . . . . 0.0 110.748 -179.221 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.662 ' HB2' HD11 ' A' ' 60' ' ' LEU . 51.1 t80 -62.59 -39.23 93.06 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.088 -1.008 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -59.99 -38.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.284 0.564 . . . . 0.0 110.214 -178.511 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 p -65.14 -39.72 93.4 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.31 -0.869 . . . . 0.0 109.867 -178.882 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.2 mtp -69.84 -43.04 72.75 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.519 -0.738 . . . . 0.0 112.196 -177.872 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.12 -34.53 55.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 120.823 -1.173 . . . . 0.0 109.98 -178.603 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -62.09 -40.05 94.53 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.09 -39.44 72.13 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.13 86.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.523 -0.736 . . . . 0.0 109.293 178.552 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 88' ' ' PHE . 48.9 t -59.72 -37.86 80.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.495 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.001 -1.062 . . . . 0.0 108.411 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.97 -38.61 83.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.185 -0.947 . . . . 0.0 108.895 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -92.21 -24.45 19.03 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.268 -0.895 . . . . 0.0 111.017 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 4.2 t80 . . . . . 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 109.168 -179.246 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 0' ' ' MET . . . . . 0.447 ' C ' ' N ' ' B' ' 2' ' ' GLU . 77.9 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.9 p 51.33 14.68 0.25 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.264 -0.897 . . . . 0.0 108.854 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' B' ' 0' ' ' MET . 81.7 tt0 -69.95 -1.63 10.21 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.838 0.828 . . . . 0.0 109.123 179.542 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.96 -36.54 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 112.312 -177.955 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.431 -1.418 . . . . 0.0 109.565 -178.537 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -64.36 -39.96 94.92 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.259 -0.901 . . . . 0.0 109.808 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -39.91 82.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 110.785 -178.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.8 mtt -62.2 -39.97 94.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.037 -1.039 . . . . 0.0 109.477 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.09 -38.86 82.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.769 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.05 94.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.83 -0.544 . . . . 0.0 111.708 -178.314 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.04 -40.06 88.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.666 -1.271 . . . . 0.0 108.474 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -68.91 -38.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.786 -0.571 . . . . 0.0 110.536 -179.247 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.29 -40.03 93.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.621 -1.3 . . . . 0.0 110.59 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -38.74 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.279 -0.888 . . . . 0.0 109.128 -179.431 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -51.55 -39.97 58.81 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.003 -1.061 . . . . 0.0 108.615 179.284 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -80.01 -22.28 42.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -52.66 -48.24 66.61 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.85 -1.156 . . . . 0.0 110.5 -178.371 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.767 ' OH ' HD12 ' B' ' 35' ' ' LEU . 20.7 p90 -111.19 -25.65 9.6 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.401 -0.812 . . . . 0.0 111.822 -178.511 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.443 ' OG ' HD21 ' B' ' 27' ' ' LEU . 56.4 m -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.487 -1.383 . . . . 0.0 109.971 -178.492 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -2.33 77.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 69.2 ttt180 -59.98 -49.62 76.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -1.153 . . . . 0.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.2 -76.12 0.42 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.155 -0.966 . . . . 0.0 109.766 -179.704 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.09 -22.45 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.349 -1.405 . . . . 0.0 110.712 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 61.1 m-20 -77.6 70.34 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.608 -1.525 . . . . 0.0 108.966 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.99 -40.52 95.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.443 -0.786 . . . . 0.0 110.732 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -90.08 -0.32 57.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.026 -1.046 . . . . 0.0 111.41 -178.29 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.3 ttmt -149.07 154.75 39.72 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.706 -1.246 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.443 HD21 ' OG ' ' B' ' 18' ' ' SER . 42.4 mt -117.53 137.95 52.22 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.566 -0.709 . . . . 0.0 109.519 179.811 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' SER . 33.0 ttmt -108.01 147.82 30.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' B' ' 28' ' ' LYS . 2.0 ttmp? -38.67 -25.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.695 0.76 . . . . 0.0 109.216 179.442 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 28' ' ' LYS . 78.7 p -78.3 -47.02 18.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.235 179.482 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mt-10 -69.94 -35.29 74.4 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.165 -0.96 . . . . 0.0 108.486 179.303 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.99 -40.1 88.02 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.684 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.02 -39.95 87.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.25 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.407 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 63.4 mm-40 -61.04 -36.28 79.13 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.526 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.767 HD12 ' OH ' ' B' ' 17' ' ' TYR . 3.1 tt -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 122.604 1.192 . . . . 0.0 108.189 179.406 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.58 -46.03 28.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.146 -0.971 . . . . 0.0 112.764 -177.571 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.22 -36.18 66.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.868 -1.145 . . . . 0.0 112.421 -176.79 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -97.17 -36.87 10.31 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.623 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.3 -21.27 16.74 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.382 -1.449 . . . . 0.0 111.721 -177.769 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.83 56.41 1.67 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 109.014 -179.606 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' O ' ' B' ' 44' ' ' LEU . 7.3 m -78.94 -67.0 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -78.55 -39.99 36.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.639 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.13 -35.97 78.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.205 -0.934 . . . . 0.0 110.272 -178.783 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 41' ' ' SER . 34.3 tp -128.19 159.79 34.1 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.224 -0.923 . . . . 0.0 108.792 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.51 107.65 0.27 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.981 -1.075 . . . . 0.0 109.147 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 145.08 50.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.565 -0.709 . . . . 0.0 109.3 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.572 HG21 HG23 ' B' ' 53' ' ' VAL . 41.5 mm -80.07 140.91 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 109.139 179.847 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -107.22 -22.04 12.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.568 -0.708 . . . . 0.0 109.313 -179.002 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.36 154.17 45.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.211 -0.931 . . . . 0.0 110.69 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -68.65 -22.59 64.4 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.045 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -65.0 -39.15 93.03 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.103 -0.998 . . . . 0.0 110.326 -179.468 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.41 HG21 ' NE2' ' Y' ' 105' ' ' HIS . 65.9 t -61.17 -40.0 84.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.999 -1.063 . . . . 0.0 108.659 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.572 HG23 HG21 ' B' ' 47' ' ' ILE . 44.6 t -62.86 -39.96 86.99 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.525 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.5 t0 -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.619 -0.675 . . . . 0.0 109.557 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.9 -40.23 96.92 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.77 -31.59 54.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.545 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.2 mmm -70.0 -27.28 64.57 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.489 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.17 -40.01 80.35 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.321 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -79.58 -40.74 28.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.704 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' B' ' 76' ' ' PHE . 2.6 mp -89.0 -18.1 28.05 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.294 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.4 t0 -81.62 61.88 5.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.619 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -59.97 -34.38 73.2 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.519 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.36 -8.45 59.09 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.507 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.81 31.63 78.91 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.07 2.27 24.87 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.265 -1.138 . . . . 0.0 110.431 -179.178 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.71 4.69 89.45 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.411 -1.875 . . . . 0.0 108.411 -179.152 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.5 mt-10 -136.1 134.46 38.39 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.5 p -104.08 129.55 51.74 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.259 -0.9 . . . . 0.0 109.385 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -70.92 164.95 24.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.224 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.67 66.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.999 -1.063 . . . . 0.0 108.53 -179.076 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.44 -37.82 77.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 108.674 178.558 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 46.5 mt-10 -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.062 -1.024 . . . . 0.0 109.129 179.598 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' B' ' 35' ' ' LEU . 2.4 t80 -62.59 -35.51 79.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.334 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -36.24 76.89 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.386 0.612 . . . . 0.0 110.434 -178.079 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.7 -34.43 75.65 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.821 -1.174 . . . . 0.0 110.807 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.666 ' HB2' HD11 ' B' ' 60' ' ' LEU . 50.5 t80 -62.92 -39.0 93.21 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.123 -0.986 . . . . 0.0 110.214 -179.55 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.419 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -60.05 -38.99 79.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-O 121.264 0.554 . . . . 0.0 110.116 -178.598 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 11.7 p -65.03 -39.89 94.01 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 -178.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 42.4 mtp -69.78 -42.75 73.39 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.73 . . . . 0.0 112.13 -177.752 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.61 -34.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.828 -1.17 . . . . 0.0 109.944 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -40.02 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -39.44 72.04 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.59 87.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.595 -0.691 . . . . 0.0 109.337 178.518 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' B' ' 88' ' ' PHE . 42.8 t -59.61 -37.64 79.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.479 -0.763 . . . . 0.0 109.517 -179.141 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.984 -1.073 . . . . 0.0 108.439 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.94 -38.68 83.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -92.01 -24.8 19.1 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.299 -0.876 . . . . 0.0 110.969 -179.012 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 4.2 t80 . . . . . 0 N--CA 1.499 2.02 0 O-C-N 121.026 -1.046 . . . . 0.0 109.191 -179.234 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.95 0.881 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' X' ' 109' ' ' MET . 5.2 m-70 -59.98 -38.09 81.56 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 108.878 -179.363 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -58.76 -29.53 66.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 40.2 mtmt -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.907 -1.12 . . . . 0.0 108.173 179.37 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.54 ' O ' HD23 ' X' ' 108' ' ' LEU . 1.2 tt -73.75 -27.13 61.02 Favored 'General case' 0 N--CA 1.506 2.326 0 CA-C-O 121.94 0.876 . . . . 0.0 110.054 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.94 -24.7 64.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.561 -1.337 . . . . 0.0 110.357 -179.42 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -51.02 -32.37 21.29 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.4 -1.438 . . . . 0.0 110.004 -178.496 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.578 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 1.5 mmpt? -70.01 -40.06 75.47 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.343 -1.473 . . . . 0.0 107.859 177.435 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 68.8 p -60.89 -31.63 71.11 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.672 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.473 -0.767 . . . . 0.0 . 179.788 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.989 0.899 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.521 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 5.2 m-70 -60.0 -38.03 81.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.252 -0.905 . . . . 0.0 108.835 -179.38 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -58.93 -29.5 67.16 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.266 -0.896 . . . . 0.0 109.267 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 39.5 mtmt -59.97 -39.83 87.0 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.913 -1.117 . . . . 0.0 108.226 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.533 ' O ' HD23 ' Y' ' 108' ' ' LEU . 1.2 tt -74.01 -26.98 60.73 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 122.002 0.906 . . . . 0.0 110.037 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.0 -24.68 64.67 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.476 -1.39 . . . . 0.0 110.346 -179.448 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.615 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.5 OUTLIER -51.0 -32.47 21.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.371 -1.456 . . . . 0.0 109.928 -178.542 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.615 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 1.5 mmpt? -69.94 -40.64 75.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.293 -1.504 . . . . 0.0 107.783 177.437 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 65.1 p -59.97 -31.62 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.828 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 . -179.986 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t 53.24 23.09 2.97 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 109.104 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 4' ' ' GLU . 11.5 pt-20 -72.73 -7.97 53.12 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.663 0.744 . . . . 0.0 109.068 179.413 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 tp -42.89 -24.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.477 -0.765 . . . . 0.0 110.84 -178.31 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CZ ' ' B' ' 43' ' ' PHE . 51.3 tp10 -67.4 -40.0 85.59 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.821 -1.174 . . . . 0.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -77.18 -38.94 50.63 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.92 -1.112 . . . . 0.0 110.468 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -43.52 81.1 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 111.041 -178.159 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.7 mtt -61.08 -40.12 92.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.927 -1.108 . . . . 0.0 109.541 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.15 -39.1 84.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.87 88.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.873 -0.517 . . . . 0.0 111.43 -178.907 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.599 -1.313 . . . . 0.0 107.96 -179.405 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.59 -38.63 80.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 121.777 -0.577 . . . . 0.0 110.288 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -64.22 -40.43 96.04 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.913 -1.117 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.8 -39.33 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.222 -0.923 . . . . 0.0 109.35 -178.712 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -59.89 -40.01 87.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.558 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.55 -33.44 74.95 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.58 -0.7 . . . . 0.0 110.714 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.868 -1.145 . . . . 0.0 110.715 -178.008 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.8 m-85 -91.02 -29.29 17.45 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.668 -1.27 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.1 p -60.1 -40.16 88.67 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.884 -1.135 . . . . 0.0 109.789 -179.333 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.35 -4.45 86.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.1 ttt-85 -60.02 -46.34 89.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.061 -1.258 . . . . 0.0 109.198 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ASP . 98.3 mt-10 -115.6 159.33 21.43 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.609 -0.682 . . . . 0.0 109.321 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -15.12 0.22 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.8 m-20 -83.14 68.52 9.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.757 -1.437 . . . . 0.0 109.843 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.17 -39.93 78.45 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.266 -0.896 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.17 -14.55 59.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.996 -1.065 . . . . 0.0 111.605 -177.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' ASP . 20.7 pttp -146.65 165.2 30.28 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.703 -1.248 . . . . 0.0 110.232 -179.079 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 mt -113.15 135.26 54.01 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.681 -0.637 . . . . 0.0 109.577 -179.794 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.1 tttm -98.84 145.0 27.42 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.882 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 37.3 pttt -41.06 -25.09 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.001 0.905 . . . . 0.0 109.306 -179.182 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 28' ' ' LYS . 41.1 t -79.95 -47.8 14.42 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LYS . 75.3 tt0 -69.16 -35.42 76.3 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.528 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.97 -39.99 87.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.567 -0.708 . . . . 0.0 109.361 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 58.3 tttm -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.431 -0.793 . . . . 0.0 109.658 -179.485 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.159 -0.963 . . . . 0.0 108.817 -179.2 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.1 tt -61.75 -48.96 78.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.06 -1.025 . . . . 0.0 109.177 178.679 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.54 -45.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.452 -0.78 . . . . 0.0 112.22 -177.893 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.476 HD22 ' HB ' ' A' ' 47' ' ' ILE . 1.7 m-80 -69.53 -40.03 77.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.8 -1.187 . . . . 0.0 112.427 -176.783 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.68 12.92 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.519 -0.738 . . . . 0.0 112.967 -176.553 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 16.4 tt0 -81.57 -9.65 59.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.201 -1.562 . . . . 0.0 108.87 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 mt -133.74 57.05 1.82 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.753 -0.592 . . . . 0.0 109.487 -179.401 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -60.02 -40.53 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.678 -178.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -133.14 -18.15 2.32 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.216 -0.928 . . . . 0.0 109.961 -179.756 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' OE1' ' B' ' 4' ' ' GLU . 2.6 t80 -62.08 -40.0 94.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.5 161.88 33.4 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -55.95 112.08 1.1 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.027 -1.046 . . . . 0.0 110.023 -179.359 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.1 139.98 57.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 108.793 179.218 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.545 HG21 HG23 ' A' ' 53' ' ' VAL . 40.9 mm -69.88 142.0 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.76 -1.212 . . . . 0.0 108.76 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -15.41 14.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.381 -0.824 . . . . 0.0 111.234 -178.442 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 85.9 tt0 -150.0 150.01 31.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.557 -1.339 . . . . 0.0 110.092 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 13.2 mm100 -60.05 -32.97 71.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.603 -0.686 . . . . 0.0 110.934 -179.207 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 20.9 pt-20 -59.98 -37.59 80.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 110.777 -177.974 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.1 -40.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.845 -1.159 . . . . 0.0 108.447 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.545 HG23 HG21 ' A' ' 47' ' ' ILE . 70.3 t -63.91 -38.87 83.51 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.06 -37.85 88.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.528 -0.733 . . . . 0.0 109.826 -179.381 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.9 -39.94 91.07 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.65 -33.05 60.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.272 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.98 -27.69 64.93 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.824 -1.798 . . . . 0.0 106.38 178.622 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.5 m -81.73 -39.87 23.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.73 -17.54 31.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -177.892 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 62.2 t0 -81.03 63.93 5.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 178.422 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -59.85 -39.76 86.3 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.491 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -84.95 -1.25 56.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.964 -1.085 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.6 34.77 90.83 Favored Glycine 0 N--CA 1.497 2.729 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.867 178.606 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.3 p-10 -104.7 1.22 29.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.003 -1.292 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.544 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.44 7.79 85.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 -179.398 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.4 mt-10 -137.53 138.55 39.76 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 15.8 p -102.29 128.88 48.64 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.063 -1.023 . . . . 0.0 108.953 179.417 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -80.0 169.95 17.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 -178.718 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.06 -39.75 82.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.923 . . . . 0.0 110.202 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 89.4 mt-10 -69.07 -40.03 78.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.525 -1.359 . . . . 0.0 109.562 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' CE2' HG22 ' A' ' 77' ' ' VAL . 56.1 t80 -70.03 -25.01 63.37 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 108.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.03 -39.69 86.75 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.031 0.919 . . . . 0.0 108.64 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.24 76.44 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.008 -179.433 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 60' ' ' LEU . 91.9 t80 -60.06 -39.95 87.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.165 -0.959 . . . . 0.0 110.427 179.734 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -60.03 -37.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 O-C-N 121.346 -0.847 . . . . 0.0 109.738 -178.912 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -40.27 84.77 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.174 -1.011 . . . . 0.0 109.025 -179.766 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 91.7 mtp -60.37 -46.91 88.28 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.561 -0.712 . . . . 0.0 112.206 -179.457 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 76' ' ' PHE . 5.8 t -73.83 -28.39 24.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 120.937 -1.102 . . . . 0.0 110.387 -178.286 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.24 -39.95 88.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 108.572 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -39.92 85.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.54 72.17 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.815 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.03 -37.67 80.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.675 -0.641 . . . . 0.0 109.601 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.092 -1.005 . . . . 0.0 109.209 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -69.57 -29.14 66.63 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.368 179.672 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -86.76 -24.79 24.96 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.684 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.416 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.5 ptm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.4 t 53.1 23.25 2.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' GLU . 11.1 pt-20 -72.95 -7.81 52.77 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.702 0.763 . . . . 0.0 108.977 179.371 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.7 tp -42.74 -24.64 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 110.746 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.524 ' OE1' ' CZ ' ' A' ' 43' ' ' PHE . 51.6 tp10 -67.29 -39.93 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.789 -1.194 . . . . 0.0 110.347 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -77.17 -39.54 48.62 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.907 -1.12 . . . . 0.0 110.354 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.94 83.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 111.036 -178.235 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 28.0 mtt -60.94 -40.03 91.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.843 -1.16 . . . . 0.0 109.635 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.97 -38.99 83.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.828 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.63 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.797 -0.565 . . . . 0.0 111.409 -178.876 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.97 -40.0 87.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.593 -1.317 . . . . 0.0 107.908 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.61 -38.53 80.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.722 -0.611 . . . . 0.0 110.273 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.24 -40.35 95.84 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.905 -1.122 . . . . 0.0 111.242 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -39.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.304 -0.872 . . . . 0.0 109.33 -178.761 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.02 -39.99 87.77 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -62.62 -33.45 75.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.575 -0.703 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.928 -1.107 . . . . 0.0 110.739 -177.915 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.435 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 52.3 m-85 -91.13 -29.21 17.41 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.696 -1.253 . . . . 0.0 111.578 -179.147 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -60.06 -40.14 88.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.9 -1.125 . . . . 0.0 109.718 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.37 -4.49 87.04 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.06 -1.259 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -115.37 159.55 20.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.742 . . . . 0.0 109.416 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.61 -15.29 0.28 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.252 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.6 m-20 -83.05 68.67 9.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.794 -1.415 . . . . 0.0 109.884 -179.491 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -69.24 -39.93 78.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.15 -14.55 59.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.057 -1.027 . . . . 0.0 111.543 -177.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.9 pttp -146.66 165.21 30.25 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.618 -1.301 . . . . 0.0 110.228 -179.122 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -113.02 135.3 53.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.783 -0.573 . . . . 0.0 109.561 -179.78 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' B' ' 30' ' ' SER . 54.9 tttm -98.81 145.76 26.62 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.891 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 36.7 pttt -41.87 -25.31 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.067 0.936 . . . . 0.0 109.224 -179.028 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.8 t -79.73 -47.65 14.94 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.464 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 77.7 tt0 -69.36 -35.26 75.67 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.607 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.198 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.456 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 58.6 tttm -59.9 -40.04 87.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.452 -0.78 . . . . 0.0 109.666 -179.489 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.02 -40.0 87.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.232 -0.918 . . . . 0.0 108.854 -179.221 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.704 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.2 tt -61.79 -48.8 78.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.068 -1.02 . . . . 0.0 109.186 178.67 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.75 -45.38 57.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.452 -0.78 . . . . 0.0 112.122 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.473 HD21 ' N ' ' B' ' 37' ' ' ASN . 1.7 m-80 -69.57 -39.99 77.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.783 -1.198 . . . . 0.0 112.341 -176.768 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.76 12.88 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.468 -0.77 . . . . 0.0 112.97 -176.574 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 16.4 tt0 -81.48 -9.65 59.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.158 -1.588 . . . . 0.0 108.888 -178.553 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.0 mt -133.79 57.0 1.82 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.282 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.0 p -60.02 -40.77 90.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.936 -1.103 . . . . 0.0 110.557 -179.011 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -132.9 -18.0 2.4 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.169 -0.957 . . . . 0.0 110.055 -179.787 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.53 ' CZ ' ' OE1' ' A' ' 4' ' ' GLU . 2.5 t80 -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.032 . . . . 0.0 109.415 -179.772 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.37 161.78 33.61 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.248 -0.908 . . . . 0.0 108.56 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.96 111.7 1.0 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.213 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.72 139.99 57.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 0.0 108.858 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.53 HG21 HG23 ' B' ' 53' ' ' VAL . 40.6 mm -69.9 141.93 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.731 -1.231 . . . . 0.0 108.841 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -15.81 14.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.446 -0.784 . . . . 0.0 111.297 -178.453 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.437 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 85.8 tt0 -149.96 150.25 31.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.564 -1.335 . . . . 0.0 110.048 -179.551 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.456 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.3 mm100 -60.05 -33.19 71.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.58 -0.7 . . . . 0.0 110.982 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 20.7 pt-20 -60.03 -37.29 79.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 0.0 110.757 -177.87 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.19 -40.02 82.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 120.843 -1.16 . . . . 0.0 108.573 -179.837 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.53 HG23 HG21 ' B' ' 47' ' ' ILE . 66.8 t -64.09 -38.76 83.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.475 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.81 -38.32 90.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.561 -0.712 . . . . 0.0 109.871 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.71 -40.01 91.8 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.45 -33.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.297 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -70.02 -27.58 64.79 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.592 -179.939 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 119.814 -1.804 . . . . 0.0 106.398 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.0 m -81.65 -39.98 23.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.907 -0.495 . . . . 0.0 110.632 178.753 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.76 -17.55 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.166 -0.959 . . . . 0.0 110.594 -177.658 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 62.0 t0 -80.96 63.86 5.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 178.371 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.74 -39.99 86.58 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.452 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 47.4 p-10 -84.68 -1.06 55.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.997 -1.065 . . . . 0.0 109.511 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.18 34.74 90.77 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 120.099 -1.048 . . . . 0.0 111.031 178.641 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.2 p-10 -104.48 1.17 29.65 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.043 -1.269 . . . . 0.0 109.655 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.539 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.48 7.89 85.58 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.408 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.6 mt-10 -137.47 138.31 39.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.903 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 15.6 p -102.12 128.74 48.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.049 -1.032 . . . . 0.0 108.982 179.386 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -80.03 170.0 17.07 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.473 -0.767 . . . . 0.0 110.43 -178.742 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -54.16 -39.99 67.05 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.796 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.23 -39.37 82.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.288 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.7 mt-10 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.524 -1.36 . . . . 0.0 109.518 -179.823 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.421 ' O ' HG23 ' B' ' 77' ' ' VAL . 55.4 t80 -70.0 -25.01 63.4 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.147 -0.971 . . . . 0.0 108.449 179.354 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.01 -39.71 86.72 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.052 0.929 . . . . 0.0 108.656 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.33 76.82 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.042 -1.036 . . . . 0.0 110.151 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HB2' HD11 ' B' ' 60' ' ' LEU . 91.5 t80 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.092 -1.005 . . . . 0.0 110.492 179.75 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.46 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -59.97 -37.68 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.452 -0.78 . . . . 0.0 109.754 -178.881 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.07 84.2 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.033 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.9 mtp -60.28 -47.1 87.47 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.595 -0.691 . . . . 0.0 112.241 -179.487 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' B' ' 76' ' ' PHE . 7.4 t -73.69 -28.72 25.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 120.958 -1.089 . . . . 0.0 110.36 -178.342 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.122 -0.986 . . . . 0.0 108.564 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -40.05 85.93 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.758 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.57 72.11 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.02 -37.82 80.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.658 -0.651 . . . . 0.0 109.673 179.496 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -60.04 -39.93 87.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.232 -179.606 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.51 -29.36 66.97 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.272 -0.893 . . . . 0.0 109.395 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -86.58 -24.83 25.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 108.56 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.367 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.818 0.818 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.587 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 36.1 t-80 -60.09 -37.83 81.12 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.019 -1.051 . . . . 0.0 108.398 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -57.4 -32.28 66.69 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 31.2 mtmm -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.666 -1.271 . . . . 0.0 108.818 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' X' X ' 108' ' ' LEU . . . . . 0.63 ' O ' HD23 ' X' ' 108' ' ' LEU . 1.4 tt -69.97 -29.29 66.36 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.148 -0.97 . . . . 0.0 109.309 179.664 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -61.71 -24.62 66.9 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.545 -1.347 . . . . 0.0 109.734 179.595 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -50.84 -26.13 5.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.585 -1.322 . . . . 0.0 108.263 -179.781 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.566 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.4 tppt? -76.77 -40.05 49.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.707 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 47.8 p -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.632 179.651 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.528 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 37.7 t-80 -59.97 -37.69 80.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.083 -1.01 . . . . 0.0 108.413 179.015 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.63 -32.35 67.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.51 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 31.3 mtmm -59.95 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.605 -1.31 . . . . 0.0 108.921 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . 0.647 ' O ' HD23 ' Y' ' 108' ' ' LEU . 1.5 tt -70.01 -29.22 66.23 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.188 -0.945 . . . . 0.0 109.261 179.6 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -61.55 -24.64 66.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.517 -1.365 . . . . 0.0 109.777 179.514 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -50.91 -26.12 5.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.604 -1.31 . . . . 0.0 108.285 -179.66 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.567 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -76.86 -40.06 48.96 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.789 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 52.7 p -60.02 -33.37 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.32 -0.952 . . . . 0.0 108.647 179.596 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.451 ' CA ' ' OE2' ' B' ' 39' ' ' GLU . 3.9 t 61.0 21.73 12.04 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.454 -0.779 . . . . 0.0 109.561 -179.927 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.89 -6.5 49.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.43 -0.793 . . . . 0.0 109.214 179.366 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' GLU . 25.1 tp -42.49 -23.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.719 . . . . 0.0 110.277 -178.785 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLU . 85.6 tt0 -69.91 -39.31 76.26 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.995 -1.066 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -74.93 -32.96 61.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.789 -1.195 . . . . 0.0 109.296 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -45.17 72.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.36 -0.837 . . . . 0.0 110.742 -178.629 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.15 -39.92 91.9 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.181 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.07 -35.81 75.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.504 -0.747 . . . . 0.0 109.739 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.7 -36.15 78.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.397 -0.814 . . . . 0.0 111.217 -178.46 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.97 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.679 -1.263 . . . . 0.0 107.998 -179.355 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.43 -39.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.749 -0.594 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.14 -48.86 79.94 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.869 -1.144 . . . . 0.0 112.28 -178.379 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.01 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.014 -1.053 . . . . 0.0 110.773 -177.816 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 88.9 t80 -58.66 -36.91 74.9 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.926 -1.109 . . . . 0.0 109.575 -178.916 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -69.44 -26.23 64.5 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 110.199 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.98 -42.8 94.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.552 -1.343 . . . . 0.0 110.573 -179.142 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 70.1 m-85 -95.52 -28.99 14.61 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.76 -1.213 . . . . 0.0 112.435 -178.804 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.523 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 50.3 m -60.01 -40.03 87.88 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 120.925 -1.109 . . . . 0.0 109.189 -178.403 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.15 4.52 83.15 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.796 -1.414 . . . . 0.0 110.629 -178.628 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -101.93 0.37 35.24 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.061 -1.024 . . . . 0.0 108.861 179.501 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.64 -3.22 59.1 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 26' ' ' LYS . 68.8 m-20 -82.3 68.11 8.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.919 -1.342 . . . . 0.0 108.324 179.284 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -69.38 -36.02 76.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 110.227 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -77.83 -20.03 53.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 111.233 -178.818 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.7 pttt -143.8 159.05 43.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.851 -1.156 . . . . 0.0 109.945 -179.068 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 tp -118.14 130.12 55.93 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 63.4 tttp -99.15 144.37 28.36 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 -179.63 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.2 pttm -41.08 -22.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.783 0.801 . . . . 0.0 109.618 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 t -72.11 -55.52 7.18 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.405 0.621 . . . . 0.0 109.617 -179.458 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 17' ' ' TYR . 68.5 mt-10 -62.72 -34.06 76.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.34 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.08 -44.76 94.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.654 -0.654 . . . . 0.0 109.603 -179.502 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.95 -39.97 96.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.283 -0.885 . . . . 0.0 110.398 179.681 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.19 69.27 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.091 -1.005 . . . . 0.0 109.11 -178.444 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.9 -44.47 63.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.909 -1.119 . . . . 0.0 108.912 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.68 -48.67 63.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.708 -178.296 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.68 -30.66 52.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 112.096 -178.616 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -98.22 -40.36 8.4 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.099 -1.0 . . . . 0.0 112.893 -177.504 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 7.4 tp10 -87.45 -19.45 27.99 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.29 -1.506 . . . . 0.0 110.711 -177.675 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.9 mt -116.97 48.4 1.32 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 89.5 p -60.1 -40.32 89.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.511 -0.743 . . . . 0.0 111.538 -178.319 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -129.69 -20.63 3.19 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.023 -1.048 . . . . 0.0 110.54 -179.123 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.7 -38.06 89.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.027 -1.046 . . . . 0.0 109.888 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.0 tp -138.71 155.35 48.31 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.046 -1.034 . . . . 0.0 108.221 179.453 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' HE ' ' X' ' 104' ' ' ARG . 87.5 tt0 -61.0 113.87 2.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.67 -1.269 . . . . 0.0 108.667 179.725 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.66 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -67.88 176.95 2.31 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.584 -0.697 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.01 135.41 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -101.73 -20.91 14.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.478 -0.764 . . . . 0.0 110.465 -177.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -117.98 140.09 50.24 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.302 -0.874 . . . . 0.0 110.206 -179.323 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -71.15 -18.77 62.49 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.522 -0.736 . . . . 0.0 110.009 179.691 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 50' ' ' GLN . 8.4 pt-20 -65.99 -39.56 90.43 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.011 -1.055 . . . . 0.0 109.661 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.5 t -60.04 -39.91 81.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.681 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.61 -40.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.52 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -61.69 -40.0 93.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.397 -0.814 . . . . 0.0 109.914 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 63.1 tttm -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -179.743 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 t -64.91 -31.63 54.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.5 mmm -70.06 -33.2 71.62 Favored 'General case' 0 C--O 1.195 -1.769 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.79 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.38 -39.07 75.26 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.051 -1.656 . . . . 0.0 107.084 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -73.93 -46.29 45.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.746 -0.596 . . . . 0.0 110.859 179.291 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.2 mt -89.47 -13.03 38.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.175 -178.359 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.1 t0 -79.88 58.54 2.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.25 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 63.2 mt-10 -59.62 -31.85 69.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 75.6 m-20 -77.89 -10.32 59.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.853 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.15 30.05 72.73 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 179.536 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 46.2 p-10 -108.49 9.42 27.5 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.216 -1.167 . . . . 0.0 110.212 -179.56 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.7 9.59 82.75 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.398 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 77.1 mt-10 -139.32 134.73 32.96 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 11.2 p -99.01 129.76 45.31 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.946 -1.097 . . . . 0.0 108.693 179.522 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 5.3 t70 -70.6 166.27 21.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.28 -0.888 . . . . 0.0 109.037 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 10.6 t80 -55.08 -39.9 69.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.024 -1.048 . . . . 0.0 108.925 -179.415 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.7 -35.23 80.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.824 -1.172 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 39.6 mt-10 -68.55 -40.09 80.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.049 -1.032 . . . . 0.0 110.284 -179.329 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -59.97 -39.45 85.7 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.678 -0.639 . . . . 0.0 110.471 -179.434 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.02 -32.55 73.84 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.602 -1.311 . . . . 0.0 110.385 -178.654 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.97 -38.32 82.2 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.098 -1.001 . . . . 0.0 110.123 179.647 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -63.7 -36.64 77.22 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 O-C-N 121.572 -0.705 . . . . 0.0 110.298 -178.526 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 19.1 p -65.85 -40.07 91.38 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.834 -177.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.414 ' H ' ' HG2' ' A' ' 79' ' ' MET . 19.0 ptm -75.27 -39.97 59.27 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.313 -178.376 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.61 -37.6 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.664 -1.272 . . . . 0.0 109.604 -179.72 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.03 87.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 108.954 -179.518 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.422 HG23 ' CE2' ' B' ' 70' ' ' PHE . 3.1 m -54.1 -36.69 63.48 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.03 92.21 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.809 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 m -59.65 -33.9 72.13 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.562 -0.711 . . . . 0.0 109.459 -179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.79 -41.03 90.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.03 -1.044 . . . . 0.0 108.683 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.05 -39.97 91.84 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.136 -0.978 . . . . 0.0 108.43 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.52 -40.03 70.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.304 -1.399 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.449 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 3.7 t 61.15 21.75 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 109.504 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -74.94 -6.37 48.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.485 -0.759 . . . . 0.0 109.189 179.412 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.9 tp -42.49 -23.99 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -178.78 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.6 tt0 -69.75 -39.24 76.87 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -74.89 -32.99 61.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 109.281 -179.163 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.23 72.91 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.375 -0.828 . . . . 0.0 110.728 -178.698 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 31.0 mtt -61.04 -40.01 91.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 110.222 -179.454 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.03 -35.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.516 -0.74 . . . . 0.0 109.802 -179.711 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.93 -36.03 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 111.326 -178.545 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.665 -1.272 . . . . 0.0 107.84 -179.448 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.23 -40.08 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.93 -48.76 80.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.817 -1.177 . . . . 0.0 112.402 -178.488 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -39.99 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.93 -1.106 . . . . 0.0 110.7 -177.798 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 89.4 t80 -58.61 -37.15 75.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.034 -1.041 . . . . 0.0 109.519 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -69.28 -26.21 64.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.968 -1.083 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.12 -42.23 94.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.576 -1.327 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 70.0 m-85 -96.05 -29.0 14.36 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.827 -1.17 . . . . 0.0 112.232 -178.795 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.494 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 52.1 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.009 -1.057 . . . . 0.0 109.263 -178.506 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.16 4.45 83.36 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.07 -49.88 75.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.733 -1.451 . . . . 0.0 110.674 -178.479 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -101.9 0.37 35.31 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 108.916 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.74 58.72 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 68.3 m-20 -82.07 68.31 8.41 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.92 -1.341 . . . . 0.0 108.5 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -69.49 -36.1 76.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.392 -0.818 . . . . 0.0 110.258 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -77.9 -19.9 53.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.226 -178.839 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' B' ' 23' ' ' ASP . 54.1 pttt -143.83 158.78 43.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.859 -1.151 . . . . 0.0 109.95 -179.032 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.86 130.19 56.1 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.562 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' B' ' 30' ' ' SER . 63.3 tttp -99.53 144.24 28.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.874 -1.141 . . . . 0.0 109.859 -179.702 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.1 pttm -40.92 -23.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.785 0.802 . . . . 0.0 109.566 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.532 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 47.4 t -72.24 -55.37 7.32 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.663 -179.374 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' B' ' 17' ' ' TYR . 67.6 mt-10 -62.77 -34.04 76.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.161 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.05 -45.01 94.26 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.705 -0.622 . . . . 0.0 109.521 -179.249 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.75 -39.97 95.8 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.27 -0.894 . . . . 0.0 110.416 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.09 69.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 109.131 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.8 -44.62 63.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.889 -1.132 . . . . 0.0 108.932 178.323 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.72 -48.55 64.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.81 -0.556 . . . . 0.0 110.671 -178.191 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.2 m-20 -77.63 -30.99 52.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.151 -0.968 . . . . 0.0 112.097 -178.482 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -98.22 -40.05 8.56 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.1 -1.0 . . . . 0.0 112.848 -177.395 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' A' ' 1' ' ' SER . 6.9 tp10 -87.73 -19.32 27.75 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.369 -1.457 . . . . 0.0 110.741 -177.676 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 11.3 mt -116.92 48.05 1.37 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.71 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 95.0 p -60.05 -40.35 89.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.468 -0.77 . . . . 0.0 111.558 -178.231 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.51 -20.6 3.26 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.953 -1.092 . . . . 0.0 110.633 -179.126 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -63.93 -37.88 89.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.029 -1.044 . . . . 0.0 109.831 -179.276 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -138.83 155.26 48.28 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.486 ' HG2' ' HE ' ' Y' ' 104' ' ' ARG . 86.9 tt0 -60.86 114.09 2.86 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.663 -1.273 . . . . 0.0 108.577 179.842 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.685 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 0.4 OUTLIER -67.91 177.16 2.24 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.512 0.673 . . . . 0.0 109.979 179.941 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.444 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 91.0 mt -109.17 135.39 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -101.78 -21.0 14.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.784 . . . . 0.0 110.424 -177.783 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -117.79 139.98 50.32 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.471 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -71.17 -18.75 62.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.615 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 8.0 pt-20 -65.93 -39.88 90.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.037 -1.039 . . . . 0.0 109.654 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 70.4 t -60.03 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.738 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.4 -39.93 84.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.571 179.595 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.85 -39.91 93.5 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.397 -0.814 . . . . 0.0 109.921 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.51 -39.99 92.5 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.02 -31.93 56.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.855 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.615 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -69.89 -33.17 71.85 Favored 'General case' 0 C--O 1.195 -1.767 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.811 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -57.48 -38.98 75.43 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 120.031 -1.668 . . . . 0.0 107.157 179.219 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -74.0 -46.18 45.22 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.817 -0.552 . . . . 0.0 110.829 179.314 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 40.9 mt -89.64 -13.06 37.88 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.026 -1.046 . . . . 0.0 111.239 -178.362 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -79.79 58.59 2.86 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.225 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 61.4 mt-10 -59.73 -31.82 69.97 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.424 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 75.1 m-20 -77.88 -10.49 59.6 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.929 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.41 29.93 72.9 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.581 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 46.1 p-10 -108.32 9.43 27.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.258 -1.142 . . . . 0.0 110.258 -179.66 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.442 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 74.51 9.91 82.21 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.356 -1.898 . . . . 0.0 108.356 -179.448 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 79.6 mt-10 -139.55 134.55 32.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 10.0 p -98.86 129.78 45.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.936 -1.102 . . . . 0.0 108.742 179.651 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 5.5 t70 -70.61 166.36 20.84 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 108.985 -179.191 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.4 t80 -55.15 -39.99 70.09 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.008 -1.058 . . . . 0.0 108.876 -179.468 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.81 -34.83 79.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.802 -1.186 . . . . 0.0 109.86 179.969 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 40.1 mt-10 -68.82 -40.11 79.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.989 -1.069 . . . . 0.0 110.225 -179.289 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.69 -35.7 80.77 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.695 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -59.96 -39.41 85.53 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.665 -0.647 . . . . 0.0 110.472 -179.253 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.92 -32.52 73.83 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.566 -1.334 . . . . 0.0 110.376 -178.632 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.06 -38.03 81.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -36.68 77.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 O-C-N 121.553 -0.717 . . . . 0.0 110.246 -178.615 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 20.2 p -65.69 -39.98 91.83 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.96 -178.11 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.445 ' H ' ' HG2' ' B' ' 79' ' ' MET . 19.7 ptm -75.52 -40.01 57.6 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.859 -1.151 . . . . 0.0 111.322 -178.385 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.44 -37.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.609 -1.307 . . . . 0.0 109.472 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.8 m -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.002 -179.44 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 70' ' ' PHE . 3.1 m -54.18 -36.61 63.6 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.84 91.78 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.857 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.4 m -59.97 -33.61 72.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.726 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -60.0 -40.7 90.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.004 -1.06 . . . . 0.0 108.636 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.22 -40.02 92.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.079 -1.013 . . . . 0.0 108.415 178.739 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.56 -39.75 70.45 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.777 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.303 -1.439 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' X' X ' 104' ' ' ARG . . . . . 0.418 ' NH1' ' HG2' ' X' ' 104' ' ' ARG . 41.3 ttt-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.035 0.445 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' X' X ' 105' ' ' HIS . . . . . 0.538 ' O ' ' SD ' ' X' ' 109' ' ' MET . 15.6 p80 -60.09 -39.24 85.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.91 -178.849 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' X' X ' 106' ' ' LYS . . . . . 0.418 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 2.1 tmtp? -59.98 -39.22 84.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 110.277 -179.238 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' X' X ' 107' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 18.6 mtpp -60.08 -40.02 88.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 0.0 110.807 -178.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -76.36 -27.15 56.33 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.83 -1.169 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' X' X ' 109' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.1 -24.55 63.05 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.763 -1.211 . . . . 0.0 108.964 -179.684 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' X' X ' 110' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' X' ' 107' ' ' LYS . 0.2 OUTLIER -51.45 -29.06 14.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.417 -1.427 . . . . 0.0 109.655 -179.233 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' X' X ' 111' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.5 -1.375 . . . . 0.0 107.585 176.351 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 41.2 p -60.94 -38.83 87.18 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.848 . . . . 0.0 . -179.451 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' Y' Y ' 104' ' ' ARG . . . . . 0.486 ' HE ' ' HG2' ' B' ' 45' ' ' GLU . 41.7 ttt-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' Y' Y ' 105' ' ' HIS . . . . . 0.535 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 16.5 p80 -60.02 -39.22 85.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.914 -1.116 . . . . 0.0 109.863 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' Y' Y ' 106' ' ' LYS . . . . . 0.424 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 2.2 tmtp? -60.0 -39.36 85.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.24 -179.212 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' Y' Y ' 107' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 18.6 mtpp -59.9 -40.01 87.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.943 -1.098 . . . . 0.0 110.828 -178.888 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.56 -26.73 55.42 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.879 -1.138 . . . . 0.0 110.116 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' Y' Y ' 109' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.4 -24.58 63.58 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.799 -1.188 . . . . 0.0 108.976 -179.806 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' Y' Y ' 110' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' Y' ' 107' ' ' LYS . 0.2 OUTLIER -51.51 -29.14 15.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.433 -1.417 . . . . 0.0 109.577 -179.357 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' Y' Y ' 111' ' ' LYS . . . . . 0.462 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.5 OUTLIER -69.96 -40.3 75.51 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.418 -1.426 . . . . 0.0 107.669 176.42 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 40.8 p -60.15 -38.59 83.6 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.02 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.446 -0.784 . . . . 0.0 . -179.334 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 2' ' ' GLU . 59.3 ttm . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.18 19.99 0.36 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.188 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.506 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 21.3 pt-20 -76.22 26.4 0.12 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -63.73 -30.56 71.65 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.794 -1.192 . . . . 0.0 109.188 -179.292 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.8 -39.98 95.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.321 -0.862 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' A' ' 2' ' ' GLU . 47.6 pttt -73.85 -28.18 61.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.511 -1.368 . . . . 0.0 108.783 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.72 78.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.701 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -68.91 -39.78 79.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.94 -1.1 . . . . 0.0 109.217 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.04 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.565 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -38.88 67.73 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.253 -0.904 . . . . 0.0 110.214 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.595 HD12 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -59.22 -43.4 92.3 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -178.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.9 mt -69.92 -34.62 60.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.715 -0.616 . . . . 0.0 110.416 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 m-20 -60.01 -46.3 89.92 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.845 -1.159 . . . . 0.0 111.67 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -39.94 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.737 -1.227 . . . . 0.0 108.927 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 30.8 t80 -57.45 -38.37 74.33 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.97 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -66.63 -29.65 69.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 110.883 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -60.04 -41.88 93.24 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.871 -1.143 . . . . 0.0 110.414 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -90.52 -40.12 12.17 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.825 -1.172 . . . . 0.0 112.455 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.4 p -60.13 -41.33 92.47 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.83 -1.169 . . . . 0.0 110.39 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.19 -10.2 84.24 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.46 -47.15 87.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.17 -1.194 . . . . 0.0 109.429 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -114.6 172.52 6.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.724 0.773 . . . . 0.0 110.165 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -55.04 -32.98 56.98 Favored Glycine 0 N--CA 1.493 2.437 0 O-C-N 121.705 -0.622 . . . . 0.0 112.032 -178.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 26' ' ' LYS . 6.4 m-20 -70.03 62.83 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.309 -1.701 . . . . 0.0 109.801 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' GLY . 36.0 ttpt -61.77 -39.99 93.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.524 ' CD2' ' HG3' ' A' ' 26' ' ' LYS . 21.2 p-80 -94.67 0.33 54.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -0.951 . . . . 0.0 110.916 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HG3' ' CD2' ' A' ' 25' ' ' HIS . 48.2 mtmt -141.54 154.83 45.71 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.961 -1.087 . . . . 0.0 109.785 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.55 132.2 56.21 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.489 -0.757 . . . . 0.0 109.05 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.8 tttp -98.29 147.27 24.82 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -43.99 -24.25 0.13 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.123 -0.985 . . . . 0.0 109.175 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LYS . 24.4 t -77.13 -50.41 13.07 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.15 -36.88 85.49 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.99 -40.37 88.92 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.596 -0.69 . . . . 0.0 109.399 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 109.79 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.78 -40.11 95.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.138 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.74 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.1 tm? -60.18 -49.86 75.95 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.831 -1.168 . . . . 0.0 108.361 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.63 -49.01 55.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 112.49 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -75.54 -48.12 23.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.614 -1.304 . . . . 0.0 112.62 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -78.61 -47.05 17.9 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 121.483 -0.761 . . . . 0.0 112.855 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.624 -1.297 . . . . 0.0 109.958 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.9 62.57 2.65 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.601 -0.687 . . . . 0.0 110.186 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -137.37 -18.51 1.28 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.255 -0.903 . . . . 0.0 110.423 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -61.39 -39.97 92.65 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.075 . . . . 0.0 110.238 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -129.41 158.79 38.17 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.91 111.94 1.86 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 109.536 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' NH1' ' X' ' 104' ' ' ARG . 34.6 mt-10 -53.58 156.86 2.39 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.864 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.37 128.4 46.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -101.0 -23.17 14.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.164 -0.96 . . . . 0.0 109.26 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 94.5 mt-10 -124.4 139.79 53.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 109.826 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -69.42 -19.78 63.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 109.013 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' OE2' HG21 ' X' ' 102' ' ' THR . 8.2 pt-20 -59.84 -35.48 74.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.905 -1.122 . . . . 0.0 109.183 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.13 -37.78 74.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 t -68.55 -33.36 59.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.5 t0 -65.39 -38.31 89.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.149 0.976 . . . . 0.0 109.502 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 65.6 tttm -69.88 -39.97 75.98 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 122.26 1.029 . . . . 0.0 108.521 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.0 t -67.61 -30.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -38.5 90.37 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.88 -39.89 72.18 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.385 -1.447 . . . . 0.0 107.549 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 m -78.6 -44.82 23.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.675 -0.641 . . . . 0.0 111.479 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.4 mt -89.73 -14.68 34.14 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.849 -1.157 . . . . 0.0 111.31 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.8 t0 -81.29 61.26 4.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -59.83 -40.04 87.12 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 -14.48 60.93 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.21 30.07 76.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -107.08 6.88 29.34 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.246 -1.15 . . . . 0.0 109.689 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.497 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.42 4.83 87.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -136.03 130.05 32.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.854 -0.792 . . . . 0.0 109.058 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 126.98 43.35 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.8 161.86 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.377 -0.827 . . . . 0.0 110.108 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -52.09 -31.95 32.84 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.094 -1.004 . . . . 0.0 109.209 -178.354 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.65 -38.14 80.21 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.421 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.5 mt-10 -68.46 -40.09 81.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.347 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.04 -37.52 82.88 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.428 -0.795 . . . . 0.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.595 ' SD ' HD12 ' A' ' 10' ' ' LEU . 75.6 mmm -60.01 -39.11 84.68 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.225 0.536 . . . . 0.0 110.607 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.2 67.83 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.252 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 80' ' ' VAL . 81.0 t80 -70.01 -23.1 63.07 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.948 -1.095 . . . . 0.0 110.261 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -32.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.2 -0.937 . . . . 0.0 109.85 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -72.11 -40.22 68.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.373 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm -70.36 -42.66 71.54 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.027 -1.046 . . . . 0.0 110.936 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 76' ' ' PHE . 24.5 t -64.95 -36.43 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.476 -1.39 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.8 m -59.81 -39.76 86.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.287 -0.883 . . . . 0.0 108.769 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.488 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.5 m -51.93 -41.98 62.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.3 82.22 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.45 -33.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.705 -0.622 . . . . 0.0 109.843 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -59.94 -41.07 91.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.827 -1.17 . . . . 0.0 108.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 52.6 mp0 -61.77 -39.03 90.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.953 -1.092 . . . . 0.0 108.96 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -81.67 -40.97 22.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.85 . . . . 0.0 110.018 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 31.2 t80 -95.14 67.92 3.07 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.31 103.29 10.98 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.67 0.748 . . . . 0.0 109.079 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.16 72.34 0.28 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.729 -0.607 . . . . 0.0 109.47 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.162 -0.961 . . . . 0.0 . -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.415 ' C ' ' N ' ' B' ' 2' ' ' GLU . 58.7 ttm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.466 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.48 19.98 0.43 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.13 -0.981 . . . . 0.0 109.219 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.442 ' OE1' ' NZ ' ' B' ' 5' ' ' LYS . 21.6 pt-20 -76.01 25.59 0.12 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -63.0 -30.85 71.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.823 -1.173 . . . . 0.0 109.16 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.61 -40.01 95.58 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.262 -0.899 . . . . 0.0 111.821 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.442 ' NZ ' ' OE1' ' B' ' 2' ' ' GLU . 48.7 pttt -73.84 -28.14 61.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.525 -1.359 . . . . 0.0 108.804 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -39.26 77.75 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.645 -0.659 . . . . 0.0 110.784 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 25.7 mtt -68.87 -39.87 79.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.919 -1.113 . . . . 0.0 109.137 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.0 -35.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 119.804 -0.759 . . . . 0.0 110.566 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.99 -38.44 66.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.585 HD12 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -59.54 -43.05 93.6 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.93 -34.98 62.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.739 -0.601 . . . . 0.0 110.349 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.503 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 99.1 m-20 -59.98 -46.24 90.1 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.934 -1.104 . . . . 0.0 111.68 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -39.96 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.759 -1.213 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 28.7 t80 -57.76 -37.99 74.61 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.027 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -66.95 -29.15 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.725 -1.234 . . . . 0.0 110.791 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.581 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 0.3 OUTLIER -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.791 -1.193 . . . . 0.0 110.487 -179.249 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -90.48 -40.06 12.23 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.86 -1.15 . . . . 0.0 112.371 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 p -60.23 -41.21 92.64 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.68 -1.262 . . . . 0.0 110.429 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.97 -10.34 83.94 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.74 -46.8 89.06 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.171 -1.194 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.9 172.51 7.0 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.685 0.755 . . . . 0.0 110.127 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -54.99 -32.76 56.66 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.644 -0.66 . . . . 0.0 111.995 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 6.5 m-20 -70.09 62.83 0.22 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.311 -1.699 . . . . 0.0 109.847 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.6 ttpt -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.163 -0.961 . . . . 0.0 110.358 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.525 ' CD2' ' HG3' ' B' ' 26' ' ' LYS . 20.9 p-80 -94.77 0.31 54.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.173 -0.955 . . . . 0.0 110.816 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.525 ' HG3' ' CD2' ' B' ' 25' ' ' HIS . 49.1 mtmt -141.53 154.86 45.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.986 -1.071 . . . . 0.0 109.824 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.64 131.81 56.18 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.54 -0.725 . . . . 0.0 109.098 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.7 tttp -98.01 147.26 24.69 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 57.3 pttt -43.99 -24.11 0.13 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 22.8 t -77.2 -50.51 12.79 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.13 -36.96 85.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.07 -40.15 88.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.678 -0.639 . . . . 0.0 109.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.17 -40.03 88.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.63 -40.17 96.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 109.26 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.16 -49.68 76.68 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.846 -1.159 . . . . 0.0 108.449 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -70.84 -48.91 54.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.558 -0.714 . . . . 0.0 112.495 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -75.82 -47.97 23.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.654 -1.279 . . . . 0.0 112.603 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.69 -47.01 17.78 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.443 -0.786 . . . . 0.0 112.848 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -69.63 -40.04 76.79 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.534 -1.354 . . . . 0.0 109.858 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.62 62.57 2.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -60.09 -40.13 88.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -137.13 -18.88 1.3 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.23 -0.919 . . . . 0.0 110.506 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.99 -39.87 91.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 110.279 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.57 158.89 38.02 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.97 -1.081 . . . . 0.0 109.526 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.553 ' O ' ' NH1' ' Y' ' 104' ' ' ARG . 30.4 mt-10 -53.47 156.62 2.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.66 0.743 . . . . 0.0 110.003 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' Y' ' 104' ' ' ARG . 5.8 mm -95.15 128.85 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -101.38 -23.11 14.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.21 -0.931 . . . . 0.0 109.384 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 94.7 mt-10 -124.54 140.01 53.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.678 -0.639 . . . . 0.0 109.666 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.89 -19.52 63.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.363 -0.836 . . . . 0.0 108.834 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.437 ' OE2' HG21 ' Y' ' 102' ' ' THR . 8.4 pt-20 -59.82 -35.44 74.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.957 -1.089 . . . . 0.0 109.159 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.08 -37.79 74.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 32.1 t -68.38 -33.52 60.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.4 t0 -65.44 -38.24 89.27 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.083 0.944 . . . . 0.0 109.51 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.613 ' NZ ' ' SD ' ' Y' ' 109' ' ' MET . 64.4 tttm -70.01 -39.95 75.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 122.3 1.048 . . . . 0.0 108.385 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.6 -30.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.595 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.57 -38.3 89.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.77 -39.98 71.98 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.409 -1.432 . . . . 0.0 107.52 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 m -78.8 -44.81 22.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.759 -0.588 . . . . 0.0 111.538 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 29.3 mt -89.59 -14.87 34.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.907 -1.121 . . . . 0.0 111.238 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.7 t0 -81.25 61.38 4.74 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -74.53 -14.16 60.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.14 29.96 75.95 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -107.05 6.92 29.44 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.177 -1.19 . . . . 0.0 109.659 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.09 5.11 86.98 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.84 129.68 32.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.752 -0.852 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.48 127.04 43.12 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -73.01 161.83 30.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 0.0 110.024 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -52.07 -31.95 32.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.079 -1.013 . . . . 0.0 109.234 -178.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.79 -37.67 79.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.803 -1.186 . . . . 0.0 108.448 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 41.7 mt-10 -68.74 -40.15 79.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.081 -1.012 . . . . 0.0 109.179 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.78 -37.81 83.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.488 -0.757 . . . . 0.0 109.876 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.585 ' SD ' HD12 ' B' ' 10' ' ' LEU . 76.3 mmm -59.94 -39.03 84.11 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.216 0.531 . . . . 0.0 110.649 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.92 67.3 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.155 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.543 ' O ' HG23 ' B' ' 80' ' ' VAL . 77.9 t80 -69.96 -23.49 63.18 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.98 -1.075 . . . . 0.0 110.265 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.52 -32.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.231 -0.918 . . . . 0.0 109.808 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -72.1 -40.11 68.41 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 110.394 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.8 ptm -70.56 -42.01 71.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.879 -1.138 . . . . 0.0 111.129 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 76' ' ' PHE . 23.9 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.554 -1.341 . . . . 0.0 109.135 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 39.2 m -59.78 -39.5 85.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -0.875 . . . . 0.0 108.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.494 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.8 m -52.0 -42.13 62.75 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.05 82.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.58 -33.21 71.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -59.89 -40.96 90.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.76 -1.212 . . . . 0.0 108.93 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' B' ' 82' ' ' THR . 53.1 mp0 -62.0 -38.93 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.974 -1.079 . . . . 0.0 108.894 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -81.8 -40.7 22.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.981 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 30.4 t80 -95.21 67.64 3.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.17 103.42 10.95 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.449 -0.782 . . . . 0.0 109.067 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.26 72.35 0.29 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.762 -0.586 . . . . 0.0 109.552 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.897 . . . . 0.0 . -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -89.63 0.92 56.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.055 -1.028 . . . . 0.0 109.853 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.611 ' N ' HD12 ' X' ' 94' ' ' LEU . 8.2 mp -69.68 144.54 52.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.527 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -103.75 113.73 27.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.374 -0.828 . . . . 0.0 109.666 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -62.5 -40.04 95.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.17 -0.956 . . . . 0.0 110.05 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp 55.78 49.44 16.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.531 -0.731 . . . . 0.0 109.988 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.95 152.54 43.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.2 -0.937 . . . . 0.0 109.605 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 99' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' X' ' 100' ' ' GLN . . . 88.96 -155.18 25.2 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 100' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' X' ' 99' ' ' GLY . 82.9 mt-30 57.19 116.4 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.806 -0.82 . . . . 0.0 110.1 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.478 ' O ' ' N ' ' X' ' 103' ' ' SER . 50.3 m -56.34 -30.13 62.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 109.405 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.538 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 7.9 m -41.52 -24.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.627 . . . . 0.0 109.959 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.478 ' N ' ' O ' ' X' ' 101' ' ' SER . 9.4 t -47.61 -26.72 1.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 109.572 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 46' ' ' GLU . 2.9 ptm180 -46.16 -32.59 3.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.86 . . . . 0.0 109.596 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 22.0 p-80 -60.16 -39.94 88.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 108.905 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 78.9 tttt -59.91 -31.68 70.05 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.468 -0.77 . . . . 0.0 109.43 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 7.7 ttpm? -59.86 -40.14 87.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.179 . . . . 0.0 108.866 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.15 -24.85 58.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 55' ' ' LYS . 26.7 mmt -60.4 -24.8 65.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.806 -1.184 . . . . 0.0 110.297 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -53.9 -26.24 24.1 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.526 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.9 tppt? -72.7 -41.96 64.73 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.308 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -60.18 -35.31 75.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.462 -0.774 . . . . 0.0 109.631 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 . -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -89.74 1.04 56.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.986 -1.071 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.575 HD12 ' N ' ' Y' ' 94' ' ' LEU . 8.5 mp -69.74 144.25 52.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.923 . . . . 0.0 109.437 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.97 113.86 27.7 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.378 -0.826 . . . . 0.0 109.642 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 52.4 m -62.37 -39.98 94.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 109.945 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 55.76 49.36 16.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.329 -0.857 . . . . 0.0 110.032 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -70.9 152.51 43.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.929 . . . . 0.0 109.655 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' Y' ' 100' ' ' GLN . . . 88.87 -155.1 25.22 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' Y' ' 99' ' ' GLY . 82.9 mt-30 57.4 116.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.826 -0.808 . . . . 0.0 110.178 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.482 ' O ' ' N ' ' Y' ' 103' ' ' SER . 53.9 m -56.17 -30.41 62.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.313 -0.867 . . . . 0.0 109.405 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.541 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 7.5 m -41.35 -24.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.678 -0.639 . . . . 0.0 110.102 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.482 ' N ' ' O ' ' Y' ' 101' ' ' SER . 10.2 t -47.72 -26.36 1.54 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' B' ' 46' ' ' GLU . 2.7 ptm180 -46.37 -32.54 3.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 21.1 p-80 -60.02 -40.12 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.147 -0.971 . . . . 0.0 108.951 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.544 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 78.7 tttt -59.9 -31.62 69.98 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.445 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.429 ' HB3' ' HZ3' ' Y' ' 107' ' ' LYS . 7.6 ttpm? -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.909 -1.119 . . . . 0.0 108.868 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.5 tp -75.31 -24.9 57.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.0 109.315 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.613 ' SD ' ' NZ ' ' B' ' 55' ' ' LYS . 24.6 mmt -60.21 -24.76 65.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.805 -1.185 . . . . 0.0 110.265 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -54.01 -26.33 25.68 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -72.41 -42.4 65.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.8 p -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.48 -0.762 . . . . 0.0 109.719 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 . -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 3' ' ' LEU . 6.3 m 59.76 22.26 11.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.519 -0.738 . . . . 0.0 110.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -76.32 15.52 0.58 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 108.796 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 1' ' ' SER . 59.3 tp -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.616 -0.677 . . . . 0.0 110.303 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.839 -1.163 . . . . 0.0 110.356 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.7 mppt? -71.59 -39.66 70.41 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.248 -0.907 . . . . 0.0 110.281 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.32 83.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.045 -1.035 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.37 -40.0 95.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.165 -0.959 . . . . 0.0 109.945 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.47 -37.84 80.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.58 94.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.951 -0.468 . . . . 0.0 111.702 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.651 -1.281 . . . . 0.0 108.129 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -67.59 -37.66 79.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 O-C-N 121.642 -0.661 . . . . 0.0 111.008 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.18 -40.59 86.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.682 -1.261 . . . . 0.0 111.818 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -40.67 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 70' ' ' PHE . 83.3 t80 -60.03 -39.97 87.7 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.21 -0.931 . . . . 0.0 109.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -64.12 -28.64 69.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.868 -1.145 . . . . 0.0 110.594 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -59.99 -42.7 94.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.809 -1.182 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.19 -40.71 12.69 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.858 -1.151 . . . . 0.0 112.539 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.843 -1.161 . . . . 0.0 110.403 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.81 83.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -60.02 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.046 -1.267 . . . . 0.0 109.889 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.74 -73.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.248 -0.908 . . . . 0.0 109.108 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.97 -24.32 0.05 OUTLIER Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.317 -1.421 . . . . 0.0 110.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -80.67 84.34 6.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.803 -1.41 . . . . 0.0 109.562 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.04 -39.2 75.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.57 -0.706 . . . . 0.0 110.068 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.42 -0.57 57.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.227 -0.921 . . . . 0.0 110.703 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 20.4 ttpp -148.17 155.25 41.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.768 -1.208 . . . . 0.0 110.016 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.41 136.52 54.12 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 62.2 tttp -106.63 153.24 22.66 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.998 -1.063 . . . . 0.0 110.295 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -23.16 0.37 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 108.689 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 99.0 p -76.88 -48.22 18.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.05 -35.82 78.87 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 tp -60.03 -43.53 95.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.74 -0.6 . . . . 0.0 109.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 65.0 tttm -61.79 -40.0 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.869 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.5 -33.63 74.48 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.963 -1.086 . . . . 0.0 108.774 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 39' ' ' GLU . 4.1 tt -66.0 -51.89 54.29 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.086 -1.009 . . . . 0.0 108.998 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' N ' HD23 ' A' ' 35' ' ' LEU . 94.8 mt -70.03 -42.84 79.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.188 -0.945 . . . . 0.0 111.571 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.1 -40.01 75.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 112.171 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -98.23 -39.95 8.6 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.299 -0.876 . . . . 0.0 112.498 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 70.4 tt0 -70.03 -33.99 72.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.565 -1.335 . . . . 0.0 108.236 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mt -119.87 40.97 3.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.918 -0.489 . . . . 0.0 110.002 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -60.49 -51.21 70.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.981 -1.075 . . . . 0.0 110.351 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.42 -22.85 12.13 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.342 -0.849 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.96 -29.72 66.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.983 -1.073 . . . . 0.0 110.56 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.0 tp -136.02 -144.54 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.119 -0.988 . . . . 0.0 109.221 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -95.12 109.77 21.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 110.229 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 147.32 53.24 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.415 HG21 HG23 ' A' ' 53' ' ' VAL . 6.4 mt -95.17 142.35 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.026 -1.046 . . . . 0.0 109.798 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 -18.98 11.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.732 -0.605 . . . . 0.0 110.143 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -130.1 148.15 51.92 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.275 -0.891 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.5 mm100 -69.72 -24.9 63.63 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 7.7 pt-20 -60.74 -40.0 90.8 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.54 -0.725 . . . . 0.0 111.213 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' X' ' 105' ' ' HIS . 64.9 t -60.56 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.047 -1.033 . . . . 0.0 108.948 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.415 HG23 HG21 ' A' ' 47' ' ' ILE . 64.7 t -65.72 -40.01 86.55 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.537 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.5 -40.07 90.02 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.504 -0.748 . . . . 0.0 110.046 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.8 -39.98 87.95 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.9 -31.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 85.2 mmm -69.98 -30.5 67.86 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 119.449 -0.901 . . . . 0.0 109.034 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -57.3 -39.53 75.95 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.081 -1.637 . . . . 0.0 106.839 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -76.69 -45.16 30.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.756 -0.59 . . . . 0.0 111.381 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 mt -87.96 -16.94 32.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.834 -1.166 . . . . 0.0 110.691 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.0 t0 -79.66 60.53 3.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.66 -39.28 80.18 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.09 -15.87 63.05 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.92 31.79 81.98 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 8.9 p-10 -107.61 7.69 28.76 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.219 -1.165 . . . . 0.0 110.354 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 1.0 87.02 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 14.2 pt-20 -140.33 145.83 37.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.37 139.49 49.43 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.01 170.01 17.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.351 -0.843 . . . . 0.0 109.534 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 15.3 t80 -52.88 -40.63 63.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.028 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.13 -0.981 . . . . 0.0 110.614 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.49 -39.98 92.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.545 -1.347 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.45 -33.05 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.251 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 76.8 mmm -59.84 -36.68 77.34 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.754 -0.591 . . . . 0.0 109.434 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.52 72.47 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.899 -1.126 . . . . 0.0 110.471 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.97 -39.96 87.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.919 -1.113 . . . . 0.0 109.075 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.98 -37.95 74.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-O 121.208 0.528 . . . . 0.0 110.088 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -64.46 -39.98 94.85 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.253 -0.904 . . . . 0.0 109.288 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.0 mtp -67.22 -46.01 75.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.699 -0.625 . . . . 0.0 112.022 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 46.4 t -69.31 -34.15 61.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.825 -1.172 . . . . 0.0 110.277 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -60.76 -40.02 90.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 108.749 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -54.25 -34.65 61.25 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.704 ' HB2' ' HZ2' ' X' ' 111' ' ' LYS . . . -60.12 -40.34 89.39 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.138 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.8 m -59.97 -34.83 73.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.529 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.67 -39.72 81.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.0 109.198 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -40.02 87.82 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.195 -0.941 . . . . 0.0 108.521 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.85 -39.97 16.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.943 . . . . 0.0 109.796 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.2 66.6 3.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.255 -0.903 . . . . 0.0 108.821 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.46 100.42 8.5 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -60.03 -41.42 92.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.434 -0.792 . . . . 0.0 109.373 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 0.0 . 179.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.248 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 3' ' ' LEU . 6.6 m 59.8 21.99 10.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.436 -0.79 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.12 15.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.246 -0.909 . . . . 0.0 108.825 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.9 tp -59.98 -31.63 70.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.572 -0.705 . . . . 0.0 110.156 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.01 -40.02 87.79 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.776 -1.203 . . . . 0.0 110.297 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.7 mppt? -71.52 -39.63 70.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.343 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.17 83.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.072 -1.017 . . . . 0.0 111.042 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.1 mtt -62.4 -40.03 95.19 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 110.006 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.38 -38.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.86 95.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.953 -0.467 . . . . 0.0 111.777 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.96 -40.02 87.63 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.497 -1.377 . . . . 0.0 108.128 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -67.43 -37.74 79.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 O-C-N 121.68 -0.638 . . . . 0.0 111.004 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -67.12 -40.56 86.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.603 -1.311 . . . . 0.0 111.924 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -40.72 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.02 -1.05 . . . . 0.0 110.17 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.416 ' CD2' ' CD1' ' B' ' 70' ' ' PHE . 83.1 t80 -59.98 -39.94 87.43 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.163 -0.961 . . . . 0.0 109.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -64.34 -28.36 69.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.875 -1.14 . . . . 0.0 110.549 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -60.07 -42.69 95.11 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 110.217 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -89.27 -40.65 12.68 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 112.617 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -60.08 -40.03 88.13 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.818 -1.176 . . . . 0.0 110.369 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.4 -10.88 82.92 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.93 -48.95 79.62 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.106 -1.232 . . . . 0.0 109.843 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -85.8 -73.5 0.45 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.219 -0.926 . . . . 0.0 109.152 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.56 -25.09 0.05 OUTLIER Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.385 -1.388 . . . . 0.0 110.474 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -80.41 84.43 6.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.849 -1.383 . . . . 0.0 109.683 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -70.05 -39.05 75.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.545 -0.722 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -88.61 -0.4 57.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.209 -0.932 . . . . 0.0 110.73 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 20.7 ttpp -148.41 155.09 40.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.805 -1.184 . . . . 0.0 109.987 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 tp -124.32 136.65 54.27 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' B' ' 30' ' ' SER . 61.8 tttp -106.78 153.28 22.7 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.001 -1.062 . . . . 0.0 110.251 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -23.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.048 -1.033 . . . . 0.0 108.679 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.408 ' N ' ' C ' ' B' ' 28' ' ' LYS . 93.7 p -76.82 -48.43 18.55 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.53 -36.17 80.48 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 41.1 tp -60.0 -43.55 95.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.807 -0.558 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 65.2 tttm -61.81 -40.02 93.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.089 -1.007 . . . . 0.0 110.911 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.34 -33.81 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.937 -1.102 . . . . 0.0 108.729 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' B' ' 39' ' ' GLU . 3.9 tt -65.89 -51.95 54.28 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.058 -1.027 . . . . 0.0 108.977 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.401 ' N ' HD23 ' B' ' 35' ' ' LEU . 91.0 mt -70.03 -42.68 79.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.15 -0.969 . . . . 0.0 111.648 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.11 -39.96 75.2 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 112.236 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -98.28 -39.95 8.58 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.323 -0.861 . . . . 0.0 112.54 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' B' ' 35' ' ' LEU . 74.9 tt0 -70.01 -34.14 72.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.455 -1.403 . . . . 0.0 108.191 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.9 41.05 3.27 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.967 -0.458 . . . . 0.0 110.005 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 t -60.6 -51.0 71.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.032 -1.042 . . . . 0.0 110.287 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -108.66 -22.58 12.18 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.352 -0.842 . . . . 0.0 110.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.95 -30.05 67.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.513 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.466 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.4 tp -135.69 -144.27 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.152 -0.968 . . . . 0.0 109.191 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.466 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -95.22 109.62 21.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.07 147.35 53.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.404 HG21 HG23 ' B' ' 53' ' ' VAL . 8.5 mt -95.2 142.16 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.044 -1.035 . . . . 0.0 109.937 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -19.5 11.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.732 -0.605 . . . . 0.0 110.27 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.04 148.41 51.88 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.305 -0.872 . . . . 0.0 110.702 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 7.5 mm100 -69.69 -24.86 63.64 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 7.9 pt-20 -60.69 -40.08 90.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 111.244 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 68.3 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.905 -1.122 . . . . 0.0 108.836 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.404 HG23 HG21 ' B' ' 47' ' ' ILE . 65.5 t -65.76 -39.95 86.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.583 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.59 -39.95 89.96 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.525 -0.735 . . . . 0.0 110.003 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -66.98 -39.97 87.31 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.0 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.613 ' O ' ' N ' ' B' ' 61' ' ' ASP . 85.5 mmm -70.07 -30.34 67.56 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.438 -0.905 . . . . 0.0 108.983 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -57.45 -39.44 76.32 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.055 -1.653 . . . . 0.0 106.805 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.8 m -76.8 -45.01 30.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 mt -88.0 -17.03 32.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.862 -1.149 . . . . 0.0 110.764 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.3 t0 -79.74 60.57 3.44 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.67 -39.2 79.97 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.03 -16.15 63.12 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.21 31.74 81.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 8.0 p-10 -107.61 7.63 28.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -1.152 . . . . 0.0 110.286 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.04 1.07 87.24 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 14.3 pt-20 -140.42 145.93 37.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.56 139.59 49.46 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -78.09 169.79 17.69 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.503 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.416 ' CD1' ' CD2' ' B' ' 14' ' ' PHE . 15.4 t80 -52.63 -40.84 63.18 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 121.247 -0.908 . . . . 0.0 109.011 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.78 -40.06 95.74 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.129 -0.982 . . . . 0.0 110.634 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.52 -39.97 92.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.511 -1.368 . . . . 0.0 109.631 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -66.17 -33.14 75.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 109.314 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.94 -36.7 77.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.625 -0.672 . . . . 0.0 109.444 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -32.57 72.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.461 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' CE2' HG21 ' B' ' 80' ' ' VAL . 82.0 t80 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.879 -1.138 . . . . 0.0 109.07 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.402 HG23 ' H ' ' B' ' 77' ' ' VAL . 1.5 t -59.99 -37.86 74.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.222 0.534 . . . . 0.0 110.038 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.1 t -64.52 -39.99 94.8 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.0 mtp -66.99 -46.14 75.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.739 -0.601 . . . . 0.0 112.219 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' B' ' 83' ' ' ALA . 46.6 t -69.52 -34.0 59.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 O-C-N 120.911 -1.118 . . . . 0.0 110.219 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.88 -40.0 91.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.3 -0.875 . . . . 0.0 108.703 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -54.34 -34.8 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -60.04 -40.25 88.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.156 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 78.5 m -60.01 -34.93 74.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 109.551 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.64 -39.58 80.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -39.96 87.6 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.22 -0.925 . . . . 0.0 108.621 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.96 -39.92 16.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 109.73 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.21 66.65 3.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.238 -0.914 . . . . 0.0 108.838 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -80.48 100.22 8.42 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.99 -41.23 91.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.41 -0.806 . . . . 0.0 109.444 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 . 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -79.98 135.81 36.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.095 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 61.9 mt -80.94 -69.31 0.61 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.883 . . . . 0.0 110.034 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -140.61 153.92 46.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.372 -0.83 . . . . 0.0 109.827 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 6.3 t -76.29 -66.75 0.76 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.444 -0.785 . . . . 0.0 108.945 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 97' ' ' LYS . . . . . 0.439 ' HZ3' ' CD ' ' X' ' 100' ' ' GLN . 77.4 tttt -170.51 88.85 0.14 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 0.0 109.358 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -84.56 -12.78 53.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.228 -0.92 . . . . 0.0 109.285 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.31 -38.45 57.12 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 100' ' ' GLN . . . . . 0.439 ' CD ' ' HZ3' ' X' ' 97' ' ' LYS . 21.9 mt-30 -100.22 134.8 42.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.188 -1.184 . . . . 0.0 109.988 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.424 ' O ' ' N ' ' X' ' 103' ' ' SER . 67.6 m -63.54 -24.97 68.04 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.4 ' C ' ' O ' ' X' ' 101' ' ' SER . 58.2 m -44.1 -24.57 0.16 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.599 -0.688 . . . . 0.0 109.233 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.424 ' N ' ' O ' ' X' ' 101' ' ' SER . 19.1 t -50.0 -29.96 9.65 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.402 ' NH1' ' HG2' ' X' ' 104' ' ' ARG . 48.0 mtt-85 -60.01 -41.89 93.13 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.274 -0.891 . . . . 0.0 108.621 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' X' ' 109' ' ' MET . 54.1 t60 -60.51 -39.96 89.68 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.84 . . . . 0.0 108.895 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.11 -30.2 64.17 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.05 -40.4 89.28 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.7 tp -65.84 -38.43 88.85 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.237 -0.914 . . . . 0.0 109.556 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -48.55 -24.55 1.35 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.801 -1.187 . . . . 0.0 109.832 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -40.69 -48.06 2.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.047 -1.033 . . . . 0.0 109.998 -179.174 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.704 ' HZ2' ' HB2' ' A' ' 83' ' ' ALA . 1.3 ptpm? -74.22 -32.34 62.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.884 . . . . 0.0 110.54 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 66.8 p -60.02 -36.98 78.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.733 -1.229 . . . . 0.0 108.24 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.542 -0.724 . . . . 0.0 . 179.509 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -80.03 135.69 36.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.913 . . . . 0.0 109.054 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -80.96 -69.07 0.63 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -140.72 153.85 46.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.355 -0.84 . . . . 0.0 109.839 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 7.3 t -76.53 -66.5 0.8 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.39 -0.819 . . . . 0.0 109.002 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . 0.443 ' HZ1' ' CD ' ' Y' ' 100' ' ' GLN . 79.8 tttt -170.56 88.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.329 -0.857 . . . . 0.0 109.461 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -84.55 -12.75 53.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.236 -0.915 . . . . 0.0 109.308 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.4 -38.25 57.18 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . 0.443 ' CD ' ' HZ1' ' Y' ' 97' ' ' LYS . 21.6 mt-30 -100.4 134.7 42.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.13 -1.218 . . . . 0.0 109.912 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.431 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.1 m -63.56 -24.89 68.0 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 51.3 m -44.01 -24.64 0.16 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.55 -0.719 . . . . 0.0 109.203 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.431 ' N ' ' O ' ' Y' ' 101' ' ' SER . 22.0 t -50.0 -29.73 9.18 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 -60.04 -42.14 93.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 108.691 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 55.4 t60 -60.41 -40.04 89.53 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.307 -0.871 . . . . 0.0 108.891 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.04 -30.34 64.15 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.97 -40.52 89.35 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.689 -1.204 . . . . 0.0 107.826 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.54 -38.92 91.01 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.276 -0.89 . . . . 0.0 109.613 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -48.23 -24.47 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.769 -1.207 . . . . 0.0 109.868 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.544 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -40.71 -48.15 2.93 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.032 -1.042 . . . . 0.0 109.975 -179.165 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 1.4 ptpm? -74.22 -32.4 62.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 110.505 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 57.8 p -59.96 -36.49 77.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.678 -1.263 . . . . 0.0 108.364 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.571 -0.705 . . . . 0.0 . 179.533 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m 60.03 27.9 17.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.455 -0.778 . . . . 0.0 109.783 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -75.73 -9.92 59.0 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.767 0.794 . . . . 0.0 108.989 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.5 tp -46.17 -19.66 0.08 Allowed 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.603 -0.686 . . . . 0.0 110.594 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' GLU . 96.6 mt-10 -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.533 -1.354 . . . . 0.0 110.208 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -32.69 37.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.067 -1.021 . . . . 0.0 110.047 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.82 76.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.282 -0.886 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 mtt -68.18 -39.94 82.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.887 -1.133 . . . . 0.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.32 -39.76 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.729 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.9 74.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.517 -0.739 . . . . 0.0 110.975 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -40.04 87.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.87 -37.32 72.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.277 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.09 -46.04 90.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.952 -1.093 . . . . 0.0 111.008 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -40.01 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.035 -1.04 . . . . 0.0 108.753 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.97 -39.95 75.57 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -70.01 -24.13 63.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.149 -0.969 . . . . 0.0 110.223 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -59.98 -44.23 94.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.788 -1.195 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -91.46 -34.91 14.63 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.894 -1.129 . . . . 0.0 111.697 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 p -60.03 -39.74 86.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.09 -1.006 . . . . 0.0 109.858 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.16 -9.06 86.99 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 34.1 ttt-85 -60.0 -46.33 89.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.043 -1.269 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -115.01 170.86 8.03 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.554 -0.716 . . . . 0.0 109.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.71 -29.63 26.15 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.431 -0.793 . . . . 0.0 111.421 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 64.9 m-20 -69.92 68.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.614 -1.521 . . . . 0.0 109.535 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.0 mtmt -63.25 -39.95 96.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.524 -0.735 . . . . 0.0 110.56 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -98.47 4.29 48.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.124 -0.985 . . . . 0.0 110.869 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -140.17 157.3 45.82 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.941 -1.1 . . . . 0.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.8 123.65 46.47 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.8 tttp -96.35 150.6 20.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.832 -1.167 . . . . 0.0 108.75 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' LYS . 29.8 ttmt -38.39 -27.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.513 0.673 . . . . 0.0 109.961 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -79.91 -49.97 11.14 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.1 mt-10 -64.67 -38.21 90.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.0 -42.37 94.13 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.553 -0.717 . . . . 0.0 109.651 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.92 -39.99 91.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.178 -0.951 . . . . 0.0 110.206 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 49.6 mt-10 -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 109.116 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.4 tm? -59.99 -49.89 75.9 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 108.264 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.91 -48.29 45.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 112.323 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.2 -40.66 71.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.028 -1.045 . . . . 0.0 113.322 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -96.55 -31.62 12.67 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.121 -0.987 . . . . 0.0 113.583 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -82.01 -10.0 59.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 119.983 -1.698 . . . . 0.0 109.185 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.56 56.25 1.57 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.6 -0.687 . . . . 0.0 109.252 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -60.02 -39.93 87.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 110.196 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.17 -16.67 1.06 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.071 -1.018 . . . . 0.0 110.795 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.78 -41.35 97.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.708 -1.245 . . . . 0.0 109.244 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.28 159.99 39.27 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -58.66 111.35 1.23 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.598 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.6 149.33 48.26 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.788 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -79.96 140.01 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.095 -1.003 . . . . 0.0 108.655 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -109.12 -10.76 14.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.674 -0.641 . . . . 0.0 111.642 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.4 tp10 -139.93 141.02 36.52 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.927 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.19 -29.81 68.95 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.686 -0.634 . . . . 0.0 110.625 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 pt-20 -59.91 -38.37 82.13 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.048 -1.033 . . . . 0.0 110.408 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -59.96 -39.99 81.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.849 -1.157 . . . . 0.0 108.199 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.97 -38.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.846 -0.534 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 55.1 t0 -63.26 -38.7 92.18 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.824 0.821 . . . . 0.0 109.586 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -67.23 -40.03 86.32 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -64.69 -30.53 50.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.4 mtt -69.18 -34.37 74.83 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.42 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.23 -40.0 76.64 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.035 -1.666 . . . . 0.0 107.503 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.81 -41.06 13.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.638 -0.664 . . . . 0.0 111.031 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.0 tp -86.3 -20.25 28.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.053 -1.03 . . . . 0.0 110.585 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 57' ' ' MET . 33.8 t0 -82.03 65.64 7.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.48 -40.02 77.69 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.316 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.0 p-10 -82.39 -9.09 59.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.03 41.26 97.89 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 38.3 p-10 -106.34 1.98 26.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.249 -1.148 . . . . 0.0 108.868 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.06 11.97 83.85 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 48.0 mt-10 -149.69 130.71 14.37 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.2 p -88.69 125.61 34.93 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.556 -1.34 . . . . 0.0 108.64 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.45 160.01 33.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 110.216 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.36 -38.11 12.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.382 -0.824 . . . . 0.0 108.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.97 -39.69 75.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.41 -0.806 . . . . 0.0 110.071 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -68.33 -40.04 81.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.453 -1.405 . . . . 0.0 109.557 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.82 -33.11 74.95 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.079 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -39.8 86.39 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.41 0.624 . . . . 0.0 110.473 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.19 75.56 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.558 -1.339 . . . . 0.0 110.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.389 -0.819 . . . . 0.0 109.853 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -60.11 -39.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 O-C-N 121.713 -0.617 . . . . 0.0 110.256 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -66.15 -38.65 88.63 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.996 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.3 mtp -67.69 -40.67 84.33 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.411 -0.806 . . . . 0.0 111.507 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.03 -38.89 76.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 C-N-CA 118.571 -1.251 . . . . 0.0 109.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.07 -40.01 88.01 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -53.79 -37.85 63.92 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.92 81.54 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.8 t -60.0 -38.28 82.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 109.842 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.92 -39.96 87.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.899 -1.125 . . . . 0.0 108.348 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -38.57 82.8 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.09 -24.92 34.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 108.973 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.88 64.76 6.47 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -71.82 108.02 4.9 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.354 -0.841 . . . . 0.0 109.117 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -77.56 -3.9 43.01 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.775 -0.578 . . . . 0.0 109.691 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.266 -0.896 . . . . 0.0 . -179.702 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 60.09 28.03 17.53 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.453 -0.779 . . . . 0.0 109.832 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -75.78 -9.51 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.706 0.765 . . . . 0.0 109.007 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -46.36 -19.75 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.566 -0.709 . . . . 0.0 110.643 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 2' ' ' GLU . 96.6 mt-10 -69.93 -40.15 75.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.625 -1.297 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -32.48 36.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 110.024 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -39.91 76.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.317 -0.865 . . . . 0.0 110.708 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.3 mtt -68.35 -39.95 81.7 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.99 -1.069 . . . . 0.0 110.01 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.2 -39.87 86.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 119.142 -1.023 . . . . 0.0 109.833 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.74 74.58 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.494 -0.754 . . . . 0.0 110.862 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.09 88.1 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.79 -37.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.32 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.06 -46.12 90.62 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.935 -1.103 . . . . 0.0 110.987 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -39.92 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.041 -1.037 . . . . 0.0 108.813 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.11 -40.02 76.21 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -69.99 -23.92 63.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.11 -0.994 . . . . 0.0 110.337 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -59.99 -44.15 94.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.652 -1.28 . . . . 0.0 109.88 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -91.44 -35.14 14.52 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.893 -1.129 . . . . 0.0 111.804 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.02 -39.62 86.48 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.068 -1.02 . . . . 0.0 109.81 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -9.19 86.89 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.49 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 33.3 ttt-85 -60.02 -46.43 89.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.116 -1.226 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.92 171.02 7.91 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.524 0.678 . . . . 0.0 109.618 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.73 -29.59 26.19 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.493 -0.754 . . . . 0.0 111.45 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD2' ' OE2' ' B' ' 31' ' ' GLU . 64.8 m-20 -69.92 68.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.614 -1.521 . . . . 0.0 109.506 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' B' ' 22' ' ' GLY . 50.8 mtmt -63.41 -39.93 95.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.455 -0.778 . . . . 0.0 110.5 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -98.35 3.62 48.58 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.19 -0.944 . . . . 0.0 110.902 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.95 157.2 46.07 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.033 -1.042 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.47 123.55 46.62 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.9 tttp -96.61 150.47 20.62 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.85 -1.157 . . . . 0.0 108.698 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.2 ttmt -38.2 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.5 0.667 . . . . 0.0 109.997 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.503 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.5 t -79.41 -50.0 11.48 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 28' ' ' LYS . 36.0 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.508 -0.745 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -61.1 -39.95 91.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -0.935 . . . . 0.0 110.188 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.49 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 49.8 mt-10 -63.13 -39.92 96.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.378 -0.826 . . . . 0.0 109.179 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.4 tm? -60.12 -49.84 76.06 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.758 -1.214 . . . . 0.0 108.243 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.1 mt -72.79 -48.31 46.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.625 -0.672 . . . . 0.0 112.395 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -71.46 -40.52 70.25 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.012 -1.055 . . . . 0.0 113.309 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -96.62 -31.44 12.72 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.972 -1.08 . . . . 0.0 113.543 -176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.18 -9.91 59.34 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 119.959 -1.713 . . . . 0.0 109.174 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 36.3 mt -127.7 56.37 1.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.248 -0.907 . . . . 0.0 110.126 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.09 -16.58 1.08 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.178 -0.951 . . . . 0.0 110.866 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.92 -41.0 97.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.735 -1.228 . . . . 0.0 109.225 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -134.56 160.07 39.21 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -58.8 111.34 1.25 Allowed 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.662 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.59 149.02 48.61 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.2 mt -79.61 140.12 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.105 -0.997 . . . . 0.0 108.746 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.437 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -109.32 -10.49 14.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 111.568 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.439 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.7 tp10 -139.93 140.78 36.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.858 -1.151 . . . . 0.0 110.041 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.02 -29.76 68.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.775 -0.578 . . . . 0.0 110.585 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.439 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.4 pt-20 -59.94 -38.42 82.37 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.993 -1.067 . . . . 0.0 110.387 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.11 -39.8 81.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.831 -1.168 . . . . 0.0 108.255 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -38.33 81.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.809 -0.557 . . . . 0.0 109.814 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 54.8 t0 -63.3 -38.78 92.48 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.786 0.803 . . . . 0.0 109.567 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -67.23 -39.95 86.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.77 -30.6 50.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 2.4 mtt -68.87 -34.72 75.9 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.337 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.15 -40.07 76.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.935 -1.728 . . . . 0.0 107.546 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.68 -40.95 13.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.637 -0.665 . . . . 0.0 111.034 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -86.17 -20.29 28.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.518 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' B' ' 57' ' ' MET . 33.6 t0 -82.01 65.31 7.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.05 -40.09 76.15 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.345 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.0 p-10 -82.56 -9.0 59.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.082 -1.011 . . . . 0.0 109.204 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.75 41.33 97.49 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 37.9 p-10 -106.21 2.05 26.56 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.129 -1.218 . . . . 0.0 108.736 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.482 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.95 12.43 83.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 50.1 mt-10 -150.02 130.02 13.47 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' B' ' 68' ' ' CYS . 10.7 p -88.18 125.58 34.69 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.426 -1.421 . . . . 0.0 108.713 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.19 159.97 33.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 110.197 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -37.93 13.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.821 . . . . 0.0 108.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' B' ' 71' ' ' GLN . 14.3 pt20 -69.98 -39.73 75.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.32 -0.862 . . . . 0.0 110.08 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.41 -40.03 81.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.39 -1.444 . . . . 0.0 109.376 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -32.98 74.63 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 109.058 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -39.78 86.74 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.719 -0.613 . . . . 0.0 110.568 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.0 75.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 120.617 -1.302 . . . . 0.0 110.344 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -39.9 87.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.407 -0.808 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -39.15 79.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 O-C-N 121.731 -0.606 . . . . 0.0 110.25 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -65.96 -39.01 90.02 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.948 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.7 mtp -67.59 -40.99 84.78 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 111.538 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.03 -38.86 76.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.352 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.3 m -60.05 -40.04 88.04 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -53.96 -37.66 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.97 -38.34 82.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.493 -0.755 . . . . 0.0 110.064 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.85 -1.156 . . . . 0.0 108.354 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -82.08 -24.87 34.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 108.949 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -89.89 64.76 6.46 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.8 108.26 5.01 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.862 0.839 . . . . 0.0 109.046 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -77.78 -4.16 45.03 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.709 -0.619 . . . . 0.0 109.722 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.37 -0.831 . . . . 0.0 . -179.56 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 93' ' ' HIS . . . . . 0.485 ' N ' ' ND1' ' X' ' 93' ' ' HIS . 2.0 p-80 -139.78 158.72 43.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.434 -0.791 . . . . 0.0 108.914 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 tp -90.03 -83.52 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 0.0 109.179 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -153.37 -92.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.283 -0.886 . . . . 0.0 109.799 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 93.2 p -67.01 -39.43 87.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.656 -0.653 . . . . 0.0 110.001 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -119.34 134.87 54.99 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.619 0.723 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -100.86 0.0 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.453 -0.779 . . . . 0.0 109.192 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.54 -172.87 12.72 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -138.35 155.56 48.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.34 -1.094 . . . . 0.0 109.428 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 52.5 m -60.12 -24.87 65.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.063 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.596 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 69.5 p -46.56 -25.02 0.61 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.419 -0.801 . . . . 0.0 109.178 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -46.39 -24.72 0.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.279 -0.888 . . . . 0.0 108.993 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.452 -0.78 . . . . 0.0 109.363 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' X' ' 102' ' ' THR . 6.0 p-80 -59.79 -32.06 70.27 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.908 -1.12 . . . . 0.0 108.751 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.543 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.8 tttt -59.96 -31.85 70.27 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 25.9 ttpp -59.69 -40.08 86.7 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.82 -33.78 75.95 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.586 -0.696 . . . . 0.0 110.289 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -62.37 -24.46 67.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.634 -1.291 . . . . 0.0 110.117 -179.519 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.04 -35.62 5.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.981 -1.074 . . . . 0.0 109.93 -178.545 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.609 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.29 -35.12 41.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.844 -1.16 . . . . 0.0 108.815 178.608 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -58.58 -32.11 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.552 -0.717 . . . . 0.0 . 179.091 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' Y' ' 93' ' ' HIS . 1.9 p-80 -139.97 158.72 43.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.351 -0.843 . . . . 0.0 108.896 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 53.0 tp -89.99 -83.16 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.967 . . . . 0.0 109.302 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -153.81 -92.48 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.383 -0.823 . . . . 0.0 109.748 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 97.6 p -67.01 -39.4 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.684 -0.635 . . . . 0.0 110.014 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -119.4 134.83 55.02 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.485 -0.759 . . . . 0.0 109.716 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -100.76 0.07 38.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.398 -0.814 . . . . 0.0 109.108 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.45 -172.76 12.68 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -138.38 155.52 48.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.286 -1.126 . . . . 0.0 109.414 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 55.5 m -60.01 -24.96 64.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 108.992 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.593 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 66.1 p -46.46 -24.95 0.58 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.2 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' Y' ' 102' ' ' THR . 55.2 m -46.46 -24.81 0.56 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.414 -0.804 . . . . 0.0 109.385 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' Y' ' 102' ' ' THR . 5.9 p-80 -59.83 -31.88 70.14 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.964 -1.085 . . . . 0.0 108.789 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.555 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.1 tttt -59.98 -31.86 70.3 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 26.2 ttpp -59.84 -40.0 87.04 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.86 -33.48 75.36 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.548 0.69 . . . . 0.0 110.364 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.512 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -62.48 -24.4 67.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.578 -1.327 . . . . 0.0 110.094 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.05 -35.97 5.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.943 -1.098 . . . . 0.0 109.818 -178.537 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.607 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -78.98 -34.29 44.36 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.84 -1.163 . . . . 0.0 109.016 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -30.93 69.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.556 -0.715 . . . . 0.0 . 179.134 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 2' ' ' GLU . 98.6 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.297 0.57 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.9 p 48.41 16.53 0.1 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.262 -0.899 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -73.28 -10.04 59.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.347 -0.846 . . . . 0.0 109.148 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 tp -43.05 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.594 -0.691 . . . . 0.0 110.238 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 2' ' ' GLU . 21.3 pt-20 -69.97 -36.58 75.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.92 -1.112 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -75.15 -31.69 61.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.742 -1.224 . . . . 0.0 109.219 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.87 -41.16 75.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 110.761 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -62.44 -40.37 96.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.056 . . . . 0.0 109.688 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.21 -37.99 80.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.563 0.697 . . . . 0.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.35 93.89 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.718 -0.614 . . . . 0.0 111.331 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.774 -1.204 . . . . 0.0 108.347 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.24 -39.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 O-C-N 121.548 -0.72 . . . . 0.0 110.943 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.58 -40.28 96.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.501 -1.374 . . . . 0.0 111.581 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -39.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.115 -0.991 . . . . 0.0 110.111 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.63 -39.95 86.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.984 -1.072 . . . . 0.0 108.959 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 108.842 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.622 ' NE2' ' CE1' ' A' ' 17' ' ' TYR . 0.7 OUTLIER -59.99 -41.85 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.612 -0.68 . . . . 0.0 110.828 -178.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.622 ' CE1' ' NE2' ' A' ' 16' ' ' GLN . 61.5 m-85 -99.16 -24.53 14.84 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.009 -1.057 . . . . 0.0 112.039 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.923 -1.111 . . . . 0.0 109.472 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.11 -7.86 84.73 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -59.99 -47.84 84.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.058 -1.26 . . . . 0.0 109.152 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -115.13 156.08 25.91 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.97 -20.71 0.76 Allowed Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 8.5 m-20 -74.84 62.29 1.08 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.757 -1.437 . . . . 0.0 110.081 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 109.026 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.08 -20.21 56.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.746 -0.596 . . . . 0.0 111.893 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -149.44 161.76 41.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.553 -1.342 . . . . 0.0 110.737 -178.591 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.95 141.22 39.92 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.636 -0.665 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' SER . 8.0 mtpm? -107.3 152.32 24.29 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' LYS . 31.7 ttmt -40.97 -27.6 0.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.39 -0.819 . . . . 0.0 109.74 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LYS . 74.7 m -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 63.3 tt0 -70.03 -33.56 72.14 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.91 -40.97 95.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.593 -0.692 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.72 -39.9 90.3 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.602 -0.686 . . . . 0.0 110.142 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.48 -40.04 96.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.875 . . . . 0.0 109.047 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.676 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.4 tt -62.53 -49.98 73.17 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.007 -1.058 . . . . 0.0 108.981 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.81 -44.16 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.174 -0.953 . . . . 0.0 111.874 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 5.2 m120 -68.54 -40.04 80.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.886 -1.134 . . . . 0.0 112.184 -176.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -98.56 -36.03 10.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.424 -0.797 . . . . 0.0 112.73 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 22.9 tt0 -70.01 -26.96 64.31 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.424 -1.423 . . . . 0.0 108.745 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.58 51.66 1.7 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.976 -1.078 . . . . 0.0 110.082 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -129.11 -18.6 3.68 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.367 -0.833 . . . . 0.0 109.879 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -64.91 -39.28 93.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.521 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.1 tp -127.8 -145.06 0.3 Allowed 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.216 -0.928 . . . . 0.0 109.395 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.7 tt0 -92.75 107.22 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.43 140.03 58.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 4.1 mm -92.45 132.1 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 108.946 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -105.0 -26.12 12.28 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.85 140.02 52.36 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.573 0.701 . . . . 0.0 110.314 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -21.04 66.61 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.2 pt-20 -60.08 -39.52 86.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.316 -0.865 . . . . 0.0 110.326 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 79.0 t -60.05 -39.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.996 -1.065 . . . . 0.0 108.155 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.96 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.23 -39.97 88.58 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.05 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.06 -39.96 86.98 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 122.238 1.018 . . . . 0.0 108.667 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.1 -28.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 mtt -69.74 -28.9 66.18 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.759 -0.777 . . . . 0.0 108.975 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.96 -39.94 87.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -84.85 -39.57 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.739 -0.601 . . . . 0.0 111.105 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 76' ' ' PHE . 3.9 mm? -88.15 -18.05 29.62 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.796 -1.19 . . . . 0.0 110.819 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.1 t0 -80.08 63.05 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.74 -36.53 76.79 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.745 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.5 -11.1 59.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.54 30.92 75.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.4 p-10 -107.82 6.16 27.19 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.072 -1.252 . . . . 0.0 109.973 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.72 10.63 86.02 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -140.25 143.0 35.73 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 4.9 p -108.92 126.6 53.25 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.061 -1.025 . . . . 0.0 108.623 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.2 t0 -73.07 168.42 19.09 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.796 -0.565 . . . . 0.0 109.639 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.555 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.5 t80 -54.26 -40.28 67.64 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 108.945 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.09 -39.66 86.8 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.03 -40.21 94.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.881 -1.137 . . . . 0.0 110.405 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.79 -36.63 82.85 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mmm -59.97 -39.1 84.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.296 0.569 . . . . 0.0 111.448 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.32 -35.2 77.44 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.549 -1.345 . . . . 0.0 110.764 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.624 ' HB2' HD11 ' A' ' 60' ' ' LEU . 47.2 t80 -60.1 -35.83 76.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.114 -0.991 . . . . 0.0 109.401 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.9 t -60.2 -39.98 82.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.974 0 O-C-N 121.634 -0.666 . . . . 0.0 109.759 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 42.4 m -60.9 -40.09 91.8 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.945 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 mtm -74.61 -42.01 59.39 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 118.799 -1.16 . . . . 0.0 111.525 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.25 -39.95 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.686 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.98 -39.47 85.8 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -54.38 -39.33 67.1 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.77 -33.72 72.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.675 -0.64 . . . . 0.0 109.63 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -59.94 -40.68 89.76 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 108.715 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -40.17 96.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.91 -39.51 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.615 0.721 . . . . 0.0 109.103 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.58 62.17 3.79 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.99 105.6 3.94 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.882 0.849 . . . . 0.0 109.656 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.33 85.47 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.058 -1.026 . . . . 0.0 . -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.442 ' O ' ' N ' ' B' ' 2' ' ' GLU . 98.2 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.302 0.572 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.8 p 48.4 16.32 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -73.45 -9.49 58.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 109.169 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 tp -43.66 -21.98 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.489 -0.757 . . . . 0.0 110.246 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 2' ' ' GLU . 20.8 pt-20 -70.22 -36.53 74.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.877 -1.14 . . . . 0.0 110.888 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.77 -1.206 . . . . 0.0 109.207 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -41.16 75.84 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.823 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -62.29 -40.31 95.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.06 . . . . 0.0 109.975 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -37.76 79.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-O 121.469 0.652 . . . . 0.0 109.414 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.96 92.81 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.705 -0.622 . . . . 0.0 111.372 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.0 -39.89 87.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.723 -1.235 . . . . 0.0 108.261 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.22 -39.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.577 -0.702 . . . . 0.0 110.85 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.27 -40.54 97.7 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.547 -1.346 . . . . 0.0 111.592 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -39.03 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.193 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -59.78 -39.97 86.7 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 108.991 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.3 -24.52 67.68 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.088 -1.008 . . . . 0.0 108.824 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.632 ' NE2' ' CE1' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -60.02 -41.79 92.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.512 -0.742 . . . . 0.0 110.78 -178.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.632 ' CE1' ' NE2' ' B' ' 16' ' ' GLN . 61.3 m-85 -99.18 -24.49 14.84 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.91 -1.119 . . . . 0.0 112.03 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.986 -1.071 . . . . 0.0 109.452 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.59 85.62 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 20' ' ' ARG . 39.9 ttt-85 -60.03 -47.69 84.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.259 . . . . 0.0 109.177 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.97 155.74 26.37 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.1 -20.14 0.73 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 8.5 m-20 -75.19 62.47 1.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.834 -1.392 . . . . 0.0 109.924 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -61.2 -39.97 92.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -0.884 . . . . 0.0 109.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -77.31 -20.25 55.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.73 -0.606 . . . . 0.0 111.894 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -149.15 161.67 41.52 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.533 -1.354 . . . . 0.0 110.772 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.96 140.88 40.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.717 -0.615 . . . . 0.0 110.488 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.9 mtpm? -107.3 152.1 24.59 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.7 ttmt -40.59 -27.51 0.05 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.383 -0.823 . . . . 0.0 109.821 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -79.7 -48.79 13.09 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.677 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 63.5 tt0 -70.01 -33.85 72.54 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.66 -41.42 95.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 109.537 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.184 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.54 -39.95 95.74 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.302 -0.874 . . . . 0.0 109.116 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.7 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.1 tt -62.59 -50.04 72.87 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 108.982 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.77 -44.29 76.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.204 -0.935 . . . . 0.0 111.953 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 5.4 m120 -68.52 -39.97 80.98 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.962 -1.086 . . . . 0.0 112.158 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -98.63 -36.04 10.0 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 112.733 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 22.8 tt0 -69.98 -27.03 64.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.404 -1.435 . . . . 0.0 108.722 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -125.7 51.68 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -60.07 -40.82 90.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.011 -1.056 . . . . 0.0 110.068 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -129.5 -18.49 3.55 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.388 -0.82 . . . . 0.0 109.981 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -39.07 91.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.491 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.449 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.1 tp -127.75 -145.02 0.3 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.395 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.449 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -92.83 107.09 18.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.892 . . . . 0.0 109.155 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.47 140.01 58.0 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.468 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.7 mm -92.51 132.16 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 108.946 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -105.03 -25.96 12.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.363 -0.836 . . . . 0.0 109.095 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -121.04 139.88 52.7 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.568 0.699 . . . . 0.0 110.291 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -21.13 66.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.02 -39.61 86.47 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 0.0 110.364 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.94 -40.05 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.87 -39.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.41 -39.96 89.27 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.791 0.805 . . . . 0.0 110.166 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.306 1.05 . . . . 0.0 108.605 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.7 t -67.21 -28.26 41.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.556 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.1 mtt -69.87 -28.86 66.0 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.666 -0.814 . . . . 0.0 108.941 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -84.66 -39.6 18.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.779 -0.576 . . . . 0.0 111.117 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 76' ' ' PHE . 3.9 mm? -88.14 -17.98 29.79 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.778 -1.201 . . . . 0.0 110.881 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.0 t0 -80.33 63.32 4.76 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -59.95 -36.5 77.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.764 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.0 m-20 -79.58 -10.97 59.89 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.45 76.91 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -108.27 6.52 26.66 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.141 -1.211 . . . . 0.0 109.961 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.449 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.55 10.49 86.15 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -140.36 142.92 35.51 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 4.9 p -108.84 126.61 53.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.013 -1.055 . . . . 0.0 108.462 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 53.3 t0 -73.22 168.4 19.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.785 -0.572 . . . . 0.0 109.58 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.561 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.5 t80 -54.1 -40.33 67.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.222 -0.924 . . . . 0.0 108.984 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.35 -39.09 85.72 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.032 -1.042 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.407 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 42.0 mt-10 -62.31 -40.16 95.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.8 -1.187 . . . . 0.0 110.459 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.01 -36.54 82.36 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 108.94 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -60.01 -39.06 84.51 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.22 0.533 . . . . 0.0 111.424 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.74 -34.75 76.14 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.562 -1.336 . . . . 0.0 110.764 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.615 ' HB2' HD11 ' B' ' 60' ' ' LEU . 47.6 t80 -60.07 -36.07 76.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.104 -0.997 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.418 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.8 t -59.98 -40.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 121.526 -0.734 . . . . 0.0 109.633 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 39.3 m -60.83 -40.13 91.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 111.034 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mtm -74.61 -42.18 59.1 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.453 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.09 -39.79 85.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.129 -0.982 . . . . 0.0 109.631 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.3 m -60.07 -39.62 86.69 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.53 -39.53 67.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.45 85.8 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' B' ' 88' ' ' PHE . 11.5 t -60.0 -33.69 72.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.682 -0.636 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.03 -40.54 89.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 108.713 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.62 -40.44 96.9 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -70.84 -38.98 73.24 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.609 0.719 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.4 OUTLIER -79.94 62.05 4.03 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -71.65 105.55 3.73 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.813 0.816 . . . . 0.0 109.538 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -72.41 85.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.074 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.284 0.564 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -151.64 175.22 12.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.603 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.536 ' N ' HD12 ' X' ' 94' ' ' LEU . 10.8 mp -74.33 174.56 8.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.417 -0.802 . . . . 0.0 109.038 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -59.98 -38.42 82.52 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.349 -0.844 . . . . 0.0 109.173 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -133.63 146.52 50.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.328 -0.858 . . . . 0.0 109.104 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -65.05 -19.58 66.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 109.117 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 98' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' X' ' 99' ' ' GLY . 4.5 tmtm? -53.25 127.67 25.36 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 99' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' X' ' 98' ' ' LYS . . . 142.68 28.91 0.14 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.21 149.51 42.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.809 -0.818 . . . . 0.0 110.346 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -58.41 -26.06 62.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.584 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 25.5 p -45.88 -25.28 0.5 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.599 -0.688 . . . . 0.0 109.566 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 61.5 m -49.79 -25.43 3.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.809 -1.182 . . . . 0.0 108.669 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' X' ' 104' ' ' ARG . 51.5 mtt-85 -60.03 -39.88 87.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.581 -0.7 . . . . 0.0 109.914 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.584 ' ND1' ' O ' ' X' ' 102' ' ' THR . 5.7 p-80 -59.43 -34.98 73.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.666 -1.271 . . . . 0.0 108.94 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.557 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 45.7 mtpt -60.03 -28.75 68.0 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 83.9 tttt -57.97 -39.95 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.02 -28.59 62.45 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.708 -0.62 . . . . 0.0 110.208 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.56 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -55.29 -24.78 30.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.37 -1.457 . . . . 0.0 109.304 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.528 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -53.92 -27.36 30.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.538 -1.351 . . . . 0.0 109.304 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.528 ' NZ ' ' CZ ' ' X' ' 110' ' ' PHE . 0.2 OUTLIER -69.99 -39.89 75.64 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.636 -1.29 . . . . 0.0 107.948 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 48.5 p -59.94 -34.59 73.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.364 -0.835 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.306 0.574 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -151.65 175.37 12.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.238 -0.914 . . . . 0.0 109.621 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.535 HD12 ' N ' ' Y' ' 94' ' ' LEU . 10.8 mp -74.17 174.65 8.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.399 -0.813 . . . . 0.0 109.12 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.07 -38.4 82.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.328 -0.858 . . . . 0.0 109.155 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -134.09 146.33 50.18 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.323 -0.861 . . . . 0.0 109.072 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.69 -19.59 65.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' Y' ' 99' ' ' GLY . 5.0 tmtm? -53.35 127.41 24.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' Y' ' 98' ' ' LYS . . . 143.1 29.04 0.13 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 107.769 -2.132 . . . . 0.0 107.769 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.24 149.19 43.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.787 -0.831 . . . . 0.0 110.45 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 54.2 m -58.25 -25.91 62.28 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.59 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 25.4 p -45.98 -24.99 0.48 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.587 -0.695 . . . . 0.0 109.636 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 68.6 m -49.93 -25.62 3.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.784 -1.198 . . . . 0.0 108.64 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 52.0 mtt-85 -60.0 -39.98 87.64 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.659 -0.65 . . . . 0.0 109.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.59 ' ND1' ' O ' ' Y' ' 102' ' ' THR . 5.8 p-80 -59.28 -35.13 73.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.702 -1.249 . . . . 0.0 108.989 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.0 mtpt -60.0 -28.59 67.84 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 83.8 tttt -57.9 -39.79 78.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.43 -28.29 61.9 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.647 -0.658 . . . . 0.0 110.108 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -55.44 -24.71 32.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.424 -1.422 . . . . 0.0 109.252 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -53.98 -27.41 31.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.521 -1.362 . . . . 0.0 109.388 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' NZ ' ' CZ ' ' Y' ' 110' ' ' PHE . 0.2 OUTLIER -70.04 -39.94 75.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.742 -1.224 . . . . 0.0 107.927 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -59.99 -33.94 72.64 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.524 -0.87 . . . . 0.0 108.961 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.349 -0.844 . . . . 0.0 . 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.496 ' SD ' ' NE2' ' B' ' 16' ' ' GLN . 15.0 mmt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m 56.85 30.55 18.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 0.0 109.348 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -74.8 5.48 4.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.318 -0.864 . . . . 0.0 108.869 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.419 HD23 HD21 ' B' ' 40' ' ' LEU . 32.7 tp -47.5 -21.01 0.28 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.669 -0.645 . . . . 0.0 109.936 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 109.5 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.47 -39.69 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 0.0 110.086 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -66.1 -43.18 87.99 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 111.381 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.8 mtt -63.85 -39.95 95.41 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.967 -1.083 . . . . 0.0 109.596 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.94 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.67 -0.644 . . . . 0.0 109.856 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -67.62 -35.05 78.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.583 -0.698 . . . . 0.0 111.306 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -40.02 87.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.619 -1.3 . . . . 0.0 107.728 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.3 mt -69.59 -39.98 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.852 -0.53 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.89 -45.17 95.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.697 -1.252 . . . . 0.0 111.844 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -39.87 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.855 -1.153 . . . . 0.0 109.751 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 22.0 t80 -59.14 -39.94 83.94 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.014 -1.054 . . . . 0.0 109.379 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.73 -31.17 72.27 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.147 -0.97 . . . . 0.0 110.001 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.553 ' NE2' ' SD ' ' B' ' 0' ' ' MET . 12.6 tp-100 -60.01 -41.34 91.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 110.683 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -91.96 -35.75 13.81 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.835 -1.166 . . . . 0.0 112.672 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.449 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 65.7 m -59.99 -40.38 88.95 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.89 -1.131 . . . . 0.0 110.555 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.23 -13.75 73.25 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.34 -46.41 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.075 -1.25 . . . . 0.0 110.474 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.99 -77.54 0.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.066 -1.021 . . . . 0.0 110.401 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 -29.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.275 -1.441 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -81.84 95.79 7.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.805 -1.409 . . . . 0.0 108.712 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.99 -40.01 75.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.91 . . . . 0.0 111.246 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.59 5.53 45.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.03 -1.044 . . . . 0.0 111.525 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -146.64 149.33 33.3 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.681 -1.262 . . . . 0.0 110.526 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 mt -117.44 137.69 52.34 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.721 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' SER . 8.3 mtmp? -102.04 155.5 18.14 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 pttm -49.99 -22.63 1.64 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 28' ' ' LYS . 69.9 m -75.74 -50.74 14.4 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.438 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.68 -35.74 80.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.721 -0.612 . . . . 0.0 109.61 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.96 -40.01 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.668 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.98 -35.95 79.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 108.876 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.711 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.6 tm? -60.74 -49.98 75.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.74 -1.225 . . . . 0.0 108.438 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.5 mt -73.99 -48.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 111.798 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 113.055 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -97.7 -35.76 10.46 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.145 -0.972 . . . . 0.0 113.183 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 40' ' ' LEU . 26.8 tt0 -80.0 -10.36 59.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.112 -1.617 . . . . 0.0 109.11 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.2 mt -134.48 54.77 1.93 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.454 -0.779 . . . . 0.0 109.09 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -61.75 -39.99 93.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 110.436 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -131.49 -19.9 2.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.266 -0.896 . . . . 0.0 110.169 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.95 -40.03 94.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.994 -1.067 . . . . 0.0 109.825 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' HG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -130.93 167.06 19.62 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.259 -0.901 . . . . 0.0 108.836 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -52.62 106.04 0.14 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.16 140.03 58.17 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -82.26 138.06 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.95 -17.62 13.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.689 -0.632 . . . . 0.0 110.074 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -136.01 142.48 44.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.308 -0.87 . . . . 0.0 109.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.54 -20.33 66.29 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.95 -38.88 83.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.617 -0.677 . . . . 0.0 109.844 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' X' ' 105' ' ' HIS . 58.9 t -60.0 -39.21 79.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.44 -31.78 54.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.981 -0.449 . . . . 0.0 109.832 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.29 81.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -70.13 -39.98 75.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.249 1.023 . . . . 0.0 108.643 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.1 -31.32 53.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -36.91 84.23 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.369 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 119.882 -1.761 . . . . 0.0 107.253 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -77.94 -44.99 25.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.581 -0.699 . . . . 0.0 111.444 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 24.2 mt -90.0 -14.99 32.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.836 -1.165 . . . . 0.0 111.245 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.6 t0 -80.84 61.09 4.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 72.9 m-20 -74.2 -11.11 60.2 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.26 29.93 72.63 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -106.8 3.84 26.9 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.238 -1.154 . . . . 0.0 109.686 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 81.06 2.25 90.37 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -137.48 136.65 37.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.578 -0.954 . . . . 0.0 108.667 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.52 136.23 43.64 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.8 t0 -78.15 170.01 17.32 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.243 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.9 t80 -51.18 -39.96 57.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -61.3 -50.44 72.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.812 . . . . 0.0 111.026 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 81.7 mt-10 -61.42 -40.03 92.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -1.0 . . . . 0.0 110.417 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.97 -37.36 87.14 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.348 -0.845 . . . . 0.0 109.639 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 82.5 mmm -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.464 0.65 . . . . 0.0 110.48 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.27 79.59 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.01 -1.057 . . . . 0.0 110.957 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.02 -35.43 75.07 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.268 -0.895 . . . . 0.0 109.967 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.1 t -66.2 -37.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -65.19 -39.96 93.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.07 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 30.1 mtp -71.36 -42.48 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.089 -1.044 . . . . 0.0 111.095 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.05 -39.65 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.3 m -60.05 -39.11 84.83 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.32 -38.99 60.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.91 83.89 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.6 m -60.0 -36.75 77.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.782 -1.199 . . . . 0.0 109.408 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.89 -33.52 76.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.064 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.07 -30.03 21.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.363 -0.836 . . . . 0.0 109.672 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.592 ' CD1' ' CE1' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -94.55 65.17 3.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 108.633 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -75.11 105.67 6.24 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 108.759 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.592 ' CE1' ' CD1' ' A' ' 88' ' ' PHE . 70.3 m80 -83.6 99.77 10.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 . -179.752 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.553 ' SD ' ' NE2' ' A' ' 16' ' ' GLN . 15.1 mmt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.239 0.542 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m 57.03 30.28 17.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -74.67 5.29 5.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 108.926 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 40' ' ' LEU . 31.0 tp -46.95 -21.35 0.21 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.663 -0.648 . . . . 0.0 109.917 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.92 -40.03 75.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.987 -1.071 . . . . 0.0 109.615 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.483 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -73.6 -39.63 64.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.517 -0.739 . . . . 0.0 110.104 -179.385 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -66.25 -43.19 87.26 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.303 -0.873 . . . . 0.0 111.276 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -63.72 -40.01 95.7 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.941 -1.099 . . . . 0.0 109.562 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.8 -37.76 81.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.694 -0.629 . . . . 0.0 109.834 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -67.79 -34.91 77.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.597 -0.69 . . . . 0.0 111.381 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.41 -1.316 . . . . 0.0 107.665 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.53 -40.0 79.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.923 -0.485 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.87 -45.2 95.49 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.738 -1.226 . . . . 0.0 111.856 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -39.64 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.829 -1.169 . . . . 0.0 109.751 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.439 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 22.1 t80 -59.22 -39.97 84.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.109 -0.995 . . . . 0.0 109.326 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.195 -0.941 . . . . 0.0 110.037 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.496 ' NE2' ' SD ' ' A' ' 0' ' ' MET . 12.5 tp-100 -59.95 -41.42 91.83 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -91.85 -35.84 13.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.842 -1.161 . . . . 0.0 112.723 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.439 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 61.5 m -60.04 -40.11 88.27 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.792 -1.192 . . . . 0.0 110.541 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.14 -14.18 72.5 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.19 -46.19 90.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.06 -1.259 . . . . 0.0 110.598 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.03 -78.04 0.38 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.092 -1.005 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.98 -30.48 0.02 OUTLIER Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.737 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -81.57 95.95 7.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.749 -1.442 . . . . 0.0 108.754 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.368 -0.833 . . . . 0.0 111.265 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -99.69 5.34 45.78 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.027 -1.046 . . . . 0.0 111.459 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -146.64 149.31 33.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.476 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 mt -117.38 137.7 52.3 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.727 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 8.4 mtmp? -102.0 155.65 18.04 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.04 -22.57 1.66 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.8 m -75.79 -50.66 14.57 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.501 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.77 -35.76 80.85 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.697 -0.627 . . . . 0.0 109.515 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.186 -0.946 . . . . 0.0 109.682 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.09 -35.62 78.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 108.928 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.717 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.93 -49.95 75.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.751 -1.218 . . . . 0.0 108.351 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -74.07 -48.47 37.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.521 -0.737 . . . . 0.0 111.863 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -67.77 -40.0 84.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.089 -1.007 . . . . 0.0 113.018 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -97.69 -35.84 10.44 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.113 -0.992 . . . . 0.0 113.177 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.513 ' O ' HD23 ' B' ' 40' ' ' LEU . 26.4 tt0 -80.0 -10.37 59.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.087 -1.633 . . . . 0.0 109.136 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.2 mt -134.44 54.89 1.92 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 0.0 109.084 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -61.79 -40.01 93.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.97 . . . . 0.0 110.427 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -131.59 -19.68 2.67 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.337 -0.852 . . . . 0.0 110.139 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -64.94 -40.02 94.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.816 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' B' ' 45' ' ' GLU . 3.9 tp -131.02 166.89 20.02 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.308 -0.87 . . . . 0.0 108.811 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.446 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 86.5 tt0 -52.54 106.13 0.14 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.295 -0.878 . . . . 0.0 109.431 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.97 140.03 58.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mm -82.33 138.25 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.061 -1.024 . . . . 0.0 109.241 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -17.8 13.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.658 -0.651 . . . . 0.0 110.084 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -135.95 142.52 44.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.317 -0.864 . . . . 0.0 109.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.57 -20.27 66.25 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -59.93 -38.95 83.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.544 -0.722 . . . . 0.0 109.827 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' Y' ' 105' ' ' HIS . 60.6 t -60.05 -39.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.36 -31.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.807 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.07 80.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -70.19 -40.01 74.87 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.374 1.083 . . . . 0.0 108.462 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.19 -31.19 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.65 -36.86 84.21 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.26 -40.02 73.54 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 119.914 -1.742 . . . . 0.0 107.274 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.3 m -77.96 -45.04 25.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.638 -0.664 . . . . 0.0 111.408 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 23.9 mt -89.96 -14.96 32.96 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.137 . . . . 0.0 111.288 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.5 t0 -80.83 60.98 4.29 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -59.94 -39.59 86.08 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 73.0 m-20 -74.33 -11.04 60.15 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.16 30.01 72.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 8.5 p30 -106.8 3.94 27.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.223 -1.163 . . . . 0.0 109.713 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 81.01 2.03 90.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -137.32 136.64 38.16 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.6 -0.941 . . . . 0.0 108.723 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.6 136.16 43.83 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 50.3 t0 -77.82 170.11 17.14 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.582 -0.699 . . . . 0.0 109.29 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.8 t80 -51.39 -40.01 58.38 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -61.22 -50.4 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 111.086 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 81.7 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 110.475 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.04 -37.43 87.42 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.327 -0.858 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.4 mmm -59.99 -37.38 79.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.598 -0.689 . . . . 0.0 110.47 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.54 80.38 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 120.984 -1.073 . . . . 0.0 110.963 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.05 -35.63 75.56 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.275 -0.89 . . . . 0.0 109.939 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.477 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.0 OUTLIER -65.96 -37.13 79.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.305 0 O-C-N 121.876 -0.515 . . . . 0.0 110.34 -178.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 m -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.071 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.7 mtp -71.33 -42.39 68.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.087 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.13 -39.59 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.216 -0.927 . . . . 0.0 110.117 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -60.04 -39.28 85.38 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -52.13 -39.2 59.56 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.75 83.52 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.0 m -60.04 -36.79 78.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.94 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.78 -1.2 . . . . 0.0 109.351 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.87 -33.18 75.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 0.0 109.111 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -87.28 -30.21 21.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.557 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.577 ' CD1' ' CE1' ' B' ' 90' ' ' HIS . 0.1 OUTLIER -94.46 65.23 3.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 108.657 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -75.27 105.61 6.38 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.046 . . . . 0.0 108.777 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.577 ' CE1' ' CD1' ' B' ' 88' ' ' PHE . 71.2 m80 -83.54 100.13 10.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.457 -0.777 . . . . 0.0 108.942 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.374 -0.829 . . . . 0.0 . -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.354 0.597 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -82.92 144.82 29.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.825 . . . . 0.0 109.231 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.35 136.56 46.96 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 127.96 46.82 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.269 -0.895 . . . . 0.0 109.156 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 90.1 p -66.8 -39.99 87.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 109.55 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -158.38 155.06 28.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.651 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -70.0 -38.4 75.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.233 -0.917 . . . . 0.0 109.271 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.84 167.5 12.6 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -142.25 160.81 39.5 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.232 -1.158 . . . . 0.0 110.171 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.51 ' O ' ' N ' ' X' ' 103' ' ' SER . 83.2 p -52.99 -24.71 10.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.41 ' C ' ' O ' ' X' ' 101' ' ' SER . 13.8 t -40.05 -24.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.512 0.672 . . . . 0.0 109.925 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.51 ' N ' ' O ' ' X' ' 101' ' ' SER . 78.8 p -50.01 -26.93 4.78 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 49.8 mtt-85 -61.84 -40.33 94.95 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.982 0.896 . . . . 0.0 108.89 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.524 ' CD2' HG22 ' A' ' 52' ' ' VAL . 2.0 m-70 -60.2 -38.45 83.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.75 -29.43 62.55 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.99 -40.07 87.9 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.134 -0.978 . . . . 0.0 108.575 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.438 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.1 mt -75.13 -24.76 58.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.951 -1.093 . . . . 0.0 109.283 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.97 -24.6 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.86 -1.775 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 1.1 p90 -45.56 -47.19 14.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.069 -1.02 . . . . 0.0 110.089 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 6.3 pttt -68.28 -35.4 77.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.378 -0.827 . . . . 0.0 110.19 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 63.5 p -60.65 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.835 -1.166 . . . . 0.0 109.13 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.32 0.581 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -82.81 144.63 30.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -107.27 136.34 47.25 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.313 -0.867 . . . . 0.0 109.671 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 127.9 46.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.306 -0.871 . . . . 0.0 109.283 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -66.78 -40.0 88.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 109.537 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -158.51 155.02 27.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.218 -0.926 . . . . 0.0 109.667 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -69.97 -38.6 76.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.46 167.58 12.92 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -142.53 160.55 40.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.161 -1.199 . . . . 0.0 110.259 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.505 ' O ' ' N ' ' Y' ' 103' ' ' SER . 81.0 p -52.92 -24.76 9.94 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.406 ' C ' ' O ' ' Y' ' 101' ' ' SER . 14.1 t -40.13 -24.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.411 0.624 . . . . 0.0 109.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.505 ' N ' ' O ' ' Y' ' 101' ' ' SER . 80.0 p -50.09 -26.89 4.88 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' Y' ' 104' ' ' ARG . 49.7 mtt-85 -61.69 -40.44 95.02 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 122.044 0.926 . . . . 0.0 108.929 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' B' ' 52' ' ' VAL . 2.1 m-70 -60.16 -38.6 83.67 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.212 -0.93 . . . . 0.0 108.617 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -56.74 -29.4 62.5 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.03 -39.98 87.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.039 -1.038 . . . . 0.0 108.544 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.1 mt -75.18 -24.71 57.89 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.969 -1.082 . . . . 0.0 109.256 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.02 -24.64 64.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 119.846 -1.784 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 1.1 p90 -45.58 -47.23 14.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.035 -1.04 . . . . 0.0 110.105 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.579 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 6.4 pttt -68.24 -35.86 78.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.864 -1.148 . . . . 0.0 109.235 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.441 -0.787 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 2' ' ' GLU . 27.9 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.296 0.569 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.07 12.62 0.09 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.261 -0.899 . . . . 0.0 110.082 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 5' ' ' LYS . 98.9 mt-10 -72.72 1.92 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.9 tp -43.06 -26.46 0.15 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.976 -0.453 . . . . 0.0 110.465 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 8' ' ' VAL . 11.7 pt-20 -70.0 -39.23 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 108.5 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.04 -39.05 75.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.766 -0.584 . . . . 0.0 109.963 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.03 85.22 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 110.859 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.5 mtt -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.184 -0.948 . . . . 0.0 109.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 4' ' ' GLU . 75.3 t -63.94 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.31 -0.869 . . . . 0.0 110.135 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.16 68.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.28 -0.888 . . . . 0.0 110.258 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -69.16 -37.74 76.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.181 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.02 -43.15 95.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.001 -1.062 . . . . 0.0 111.1 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -43.23 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.935 -1.103 . . . . 0.0 110.742 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -39.96 87.72 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.947 -1.096 . . . . 0.0 109.287 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.09 -36.41 77.35 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.529 -0.732 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.87 -39.87 86.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.914 -1.116 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.94 -26.42 18.43 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.68 -1.263 . . . . 0.0 111.992 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 t -60.52 -40.66 92.26 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 109.367 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.58 30.88 3.36 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.63 -60.77 2.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.935 -1.332 . . . . 0.0 110.004 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -107.15 -15.48 14.66 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.34 -0.28 5.13 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -81.71 67.27 7.62 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.858 -1.377 . . . . 0.0 108.508 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.871 . . . . 0.0 110.332 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -80.42 -14.13 58.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.215 -0.928 . . . . 0.0 111.539 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 39.8 pttt -142.84 162.5 35.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.884 -1.135 . . . . 0.0 109.546 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.12 115.24 15.5 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.13 -0.981 . . . . 0.0 108.851 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.9 mttm -79.79 155.67 27.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.727 -1.233 . . . . 0.0 110.444 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -49.12 -21.8 0.82 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 28' ' ' LYS . 89.6 p -76.09 -49.95 16.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.826 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.31 -30.36 68.41 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.09 -44.08 95.06 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.14 -40.05 88.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.461 -0.775 . . . . 0.0 110.488 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.36 -40.01 95.0 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.067 -1.021 . . . . 0.0 109.39 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 4.7 tt -62.23 -50.1 73.11 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.216 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.48 HG23 HD12 ' A' ' 40' ' ' LEU . 61.4 mt -69.59 -44.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 111.447 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 8.8 m120 -67.94 -39.94 83.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.723 -1.235 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -99.66 -29.81 12.46 Favored 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tp10 -79.11 -9.53 59.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.057 -1.652 . . . . 0.0 108.22 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 36' ' ' ILE . 19.8 mt -127.27 59.73 1.42 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -60.03 -41.54 92.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.174 -0.954 . . . . 0.0 110.028 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -145.75 7.51 1.1 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 0.0 109.436 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -90.03 -10.55 44.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.139 -0.976 . . . . 0.0 110.185 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 tp -159.42 164.53 34.52 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.96 118.98 7.41 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.595 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.87 165.96 12.07 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.394 -0.816 . . . . 0.0 109.143 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.486 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 50.2 mm -95.94 119.9 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -12.29 22.03 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.094 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 94.1 mt-10 -140.02 147.63 40.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.299 -0.875 . . . . 0.0 110.231 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.5 -22.87 64.51 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 21.9 pt-20 -59.93 -38.3 81.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.078 -1.014 . . . . 0.0 109.525 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' A' ' 47' ' ' ILE . 57.6 t -60.0 -38.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.9 t -65.49 -38.03 81.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.26 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.81 -36.58 82.69 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.73 -39.99 84.23 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.69 -34.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.0 mmm -68.84 -29.78 68.18 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.522 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -57.41 -36.16 70.96 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 119.978 -1.701 . . . . 0.0 106.476 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -78.86 -46.38 18.73 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 16.5 mt -88.23 -14.62 38.02 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.782 -1.199 . . . . 0.0 110.547 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.63 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 60.2 t0 -79.98 62.89 4.33 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.752 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 45.7 p-10 -82.75 -3.09 56.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.203 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.24 34.7 90.26 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.883 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 p-10 -106.29 1.08 25.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.01 -1.288 . . . . 0.0 110.397 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.63 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.36 11.75 84.8 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -140.01 128.78 23.22 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -105.8 130.45 53.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.355 -0.84 . . . . 0.0 108.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.44 166.04 22.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.439 -0.788 . . . . 0.0 110.371 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.87 -35.76 34.4 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -69.99 -37.9 75.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.095 -1.003 . . . . 0.0 109.601 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 45.9 mt-10 -70.04 -41.26 74.45 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.679 -1.263 . . . . 0.0 109.662 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' ' 77' ' ' VAL . 70.2 t80 -70.07 -26.27 63.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 108.944 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -37.33 79.38 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.6 73.69 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.989 -1.084 . . . . 0.0 109.969 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.98 -40.05 91.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 110.461 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.74 -37.2 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 109.805 -178.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -66.52 -39.95 88.91 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.93 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.53 ' O ' ' NZ ' ' X' ' 111' ' ' LYS . 84.5 mtp -62.26 -47.25 85.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 0.0 110.973 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.98 -34.26 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.12 -0.987 . . . . 0.0 109.698 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -39.38 85.6 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 m -59.0 -39.98 83.47 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.92 87.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 0.0 109.052 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m -59.35 -34.23 72.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 15.4 t-80 -60.02 -40.72 90.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.563 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.18 -45.22 93.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -71.82 -40.01 69.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.383 -0.823 . . . . 0.0 109.439 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.02 64.69 3.37 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' A' ' 91' ' ' GLU . 3.5 pt-20 -81.25 94.83 6.78 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.161 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.1 -43.38 95.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' OE2' ' OE1' ' A' ' 89' ' ' GLU . 96.8 mt-10 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 . -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.455 ' O ' ' N ' ' B' ' 2' ' ' GLU . 28.2 ttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.293 0.568 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.03 12.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.115 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' B' ' 5' ' ' LYS . 97.8 mt-10 -72.31 1.58 7.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.288 -0.883 . . . . 0.0 108.777 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp -42.98 -26.61 0.15 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 122.002 -0.436 . . . . 0.0 110.506 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.451 ' O ' HG23 ' B' ' 8' ' ' VAL . 11.8 pt-20 -70.03 -39.19 75.91 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.824 -1.172 . . . . 0.0 108.472 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.0 -39.25 75.99 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.778 -0.576 . . . . 0.0 109.934 179.647 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.92 85.21 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 110.882 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.13 -39.19 82.78 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.727 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 4' ' ' GLU . 69.1 t -64.0 -40.06 87.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 110.07 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.31 69.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.363 -0.836 . . . . 0.0 110.25 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -39.98 87.49 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.22 -37.78 76.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.98 -43.19 95.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.024 -1.048 . . . . 0.0 111.139 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -43.23 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.976 -1.078 . . . . 0.0 110.687 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.864 -1.147 . . . . 0.0 109.229 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -60.2 -36.32 77.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.546 -0.721 . . . . 0.0 111.071 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.91 -40.0 87.31 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.83 -1.169 . . . . 0.0 110.844 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -91.72 -26.11 18.76 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.699 -1.251 . . . . 0.0 112.159 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -60.63 -40.9 93.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.826 -1.171 . . . . 0.0 109.347 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.26 30.65 3.3 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.54 -60.8 2.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.911 -1.346 . . . . 0.0 110.022 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -107.37 -15.76 14.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.547 -0.721 . . . . 0.0 109.093 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.4 -1.55 4.88 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.37 67.43 7.31 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.88 -1.365 . . . . 0.0 108.646 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -69.98 -39.96 75.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.43 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -80.41 -13.99 58.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.186 -0.946 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -142.98 162.36 35.66 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.896 -1.128 . . . . 0.0 109.572 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.93 115.03 15.35 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.213 -0.93 . . . . 0.0 108.973 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 30' ' ' SER . 59.6 mttm -79.74 155.64 27.86 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.773 -1.205 . . . . 0.0 110.491 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -49.0 -21.89 0.76 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.462 ' N ' ' C ' ' B' ' 28' ' ' LYS . 91.8 p -75.94 -49.94 16.35 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.914 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.35 -30.36 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.02 -44.19 94.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.491 -0.756 . . . . 0.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.5 -39.95 94.75 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.099 -1.0 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 4.6 tt -62.33 -49.94 73.6 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.834 -1.166 . . . . 0.0 109.276 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.466 HG23 HD12 ' B' ' 40' ' ' LEU . 62.0 mt -69.59 -44.48 79.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.19 -0.944 . . . . 0.0 111.352 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 8.8 m120 -67.84 -39.96 83.79 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.696 -1.252 . . . . 0.0 111.47 -178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -99.71 -30.07 12.29 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tp10 -78.96 -9.24 59.46 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.08 -1.638 . . . . 0.0 108.287 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.466 HD12 HG23 ' B' ' 36' ' ' ILE . 17.8 mt -127.77 59.81 1.46 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -59.92 -41.59 92.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 109.947 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -145.8 7.39 1.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.01 -10.37 45.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.138 -0.976 . . . . 0.0 110.118 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tp -159.55 164.42 34.31 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.94 118.88 7.26 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.612 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.76 166.04 11.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.147 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.479 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 48.5 mm -96.1 119.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -12.4 22.06 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.096 -177.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.434 ' OE1' ' OE2' ' B' ' 51' ' ' GLU . 93.4 mt-10 -140.0 147.67 40.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.317 -0.864 . . . . 0.0 110.21 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.45 -22.97 64.55 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' OE1' ' B' ' 49' ' ' GLU . 22.0 pt-20 -59.9 -38.32 81.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.085 -1.009 . . . . 0.0 109.512 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' B' ' 47' ' ' ILE . 58.6 t -60.0 -38.84 78.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.265 -0.897 . . . . 0.0 108.801 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 t -65.38 -38.51 82.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 121.769 -0.582 . . . . 0.0 110.119 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.35 -36.72 83.6 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.386 -0.821 . . . . 0.0 110.022 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.8 -40.03 83.95 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.73 -34.43 70.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.597 ' O ' ' N ' ' B' ' 61' ' ' ASP . 78.9 mmm -69.06 -29.73 67.92 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.334 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.02 -36.7 70.76 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.4 m -78.6 -46.5 19.18 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.373 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 15.0 mt -88.0 -14.94 37.77 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.852 -1.155 . . . . 0.0 110.578 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 60.7 t0 -79.94 62.63 4.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -58.54 -39.93 81.59 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.813 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 45.0 p-10 -82.69 -3.17 55.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.09 -1.006 . . . . 0.0 109.263 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.77 90.23 Favored Glycine 0 N--CA 1.497 2.728 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.827 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 50.2 p-10 -106.48 1.01 25.17 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.036 -1.273 . . . . 0.0 110.416 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.616 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.24 11.89 84.6 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -140.05 128.58 22.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.77 130.69 53.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.259 -0.9 . . . . 0.0 108.811 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.65 165.92 22.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.459 -0.775 . . . . 0.0 110.372 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -50.71 -36.01 34.05 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.86 -37.93 76.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.086 -1.009 . . . . 0.0 109.587 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 45.7 mt-10 -69.97 -41.33 74.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.635 -1.291 . . . . 0.0 109.732 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.451 ' CE2' HG22 ' B' ' 77' ' ' VAL . 70.6 t80 -70.03 -26.13 63.9 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.087 -1.008 . . . . 0.0 108.851 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.57 79.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.63 73.85 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.129 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.89 -40.0 91.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.083 -1.01 . . . . 0.0 110.575 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -60.87 -37.0 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.747 -0.596 . . . . 0.0 109.847 -178.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -66.44 -39.99 89.22 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.394 -0.923 . . . . 0.0 108.964 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.54 ' O ' ' NZ ' ' Y' ' 111' ' ' LYS . 84.8 mtp -62.51 -47.38 84.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.671 -0.643 . . . . 0.0 111.006 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.86 -34.22 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.094 -1.004 . . . . 0.0 109.642 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.49 85.75 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.803 0.811 . . . . 0.0 108.88 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -58.77 -39.98 82.6 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.236 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -59.25 -34.21 71.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.432 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 15.1 t-80 -60.04 -40.73 90.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.071 -1.018 . . . . 0.0 109.542 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.11 -44.99 94.46 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -72.08 -40.0 68.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.06 64.69 3.35 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' B' ' 91' ' ' GLU . 3.2 pt-20 -81.31 94.94 6.84 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.149 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.13 -43.59 94.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.51 -0.744 . . . . 0.0 109.925 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.428 ' OE2' ' OE1' ' B' ' 89' ' ' GLU . 97.4 mt-10 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.323 -0.861 . . . . 0.0 . -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -81.33 141.79 33.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 69.5 mt -99.98 121.05 40.77 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.32 -0.862 . . . . 0.0 109.017 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 95' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' X' ' 95' ' ' LYS . 53.2 pttt -69.96 -20.2 63.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t 58.53 37.59 25.49 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.249 -0.907 . . . . 0.0 110.011 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 97' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' X' ' 95' ' ' LYS . 37.3 ttpt -99.21 133.43 43.51 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.246 -0.909 . . . . 0.0 109.368 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.219 -0.926 . . . . 0.0 109.468 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.09 -155.66 42.43 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -131.07 -161.02 1.09 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.566 -0.961 . . . . 0.0 109.105 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 45.3 m -52.9 -24.86 10.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.889 . . . . 0.0 109.038 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -43.67 -25.03 0.15 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.343 -0.848 . . . . 0.0 110.41 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 78.5 p -60.49 -40.46 91.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.824 -1.172 . . . . 0.0 108.504 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -69.93 -40.44 75.52 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.93 0.871 . . . . 0.0 108.792 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.55 -38.28 86.86 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.99 -33.37 71.87 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.7 -40.06 86.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.757 -1.214 . . . . 0.0 109.138 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.51 -30.35 69.15 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.153 -0.967 . . . . 0.0 109.292 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.427 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.6 mmt -58.19 -24.5 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 110.012 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.8 p90 -40.02 -49.9 2.53 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.174 -0.954 . . . . 0.0 110.829 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.556 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.19 -25.52 39.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.717 -1.24 . . . . 0.0 109.991 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 73.2 p -59.72 -38.39 81.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.521 -1.362 . . . . 0.0 108.241 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.303 -1.417 0 O-C-N 121.344 -0.847 . . . . 0.0 . 179.124 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.316 0.579 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.51 141.92 33.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.98 120.9 40.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.36 -0.838 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' Y' ' 97' ' ' LYS . 54.4 pttt -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.83 . . . . 0.0 109.545 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 58.16 38.23 26.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' Y' ' 95' ' ' LYS . 37.2 ttpt -99.84 133.39 44.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.203 -0.935 . . . . 0.0 109.247 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.179 -0.951 . . . . 0.0 109.397 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.23 -155.78 42.71 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -130.93 -160.98 1.09 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.621 -0.929 . . . . 0.0 109.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 48.1 m -52.93 -24.73 9.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.0 109.026 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -43.75 -25.19 0.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.337 -0.852 . . . . 0.0 110.368 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -40.48 90.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.852 -1.155 . . . . 0.0 108.513 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.524 HH11 ' CG ' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -69.96 -40.48 75.37 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.903 0.858 . . . . 0.0 108.799 179.287 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.419 ' CD2' HG22 ' B' ' 52' ' ' VAL . 4.5 m-70 -61.27 -38.45 86.8 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.99 -33.4 71.92 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -59.66 -40.05 86.47 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.769 -1.207 . . . . 0.0 109.109 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.88 -29.87 68.25 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.113 -0.992 . . . . 0.0 109.272 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.429 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 15.4 mmt -58.54 -24.52 60.85 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.856 -1.152 . . . . 0.0 109.945 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.7 p90 -39.97 -49.87 2.49 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.895 . . . . 0.0 110.836 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.16 -25.51 39.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.65 -1.281 . . . . 0.0 110.03 -179.493 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 74.6 p -59.9 -37.6 79.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.57 -1.331 . . . . 0.0 108.417 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.304 -1.373 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.116 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.404 ' C ' ' N ' ' A' ' 2' ' ' GLU . 48.9 ttp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.265 0.555 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.77 16.8 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.315 -0.865 . . . . 0.0 110.052 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 0' ' ' MET . 21.5 pt-20 -74.65 19.35 0.14 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.1 tp -60.0 -36.13 76.54 Favored 'General case' 0 C--O 1.204 -1.317 0 O-C-N 121.584 -0.698 . . . . 0.0 109.311 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.0 -38.5 82.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.426 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -63.91 -39.98 95.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.41 -0.806 . . . . 0.0 109.685 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.02 83.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.307 -0.871 . . . . 0.0 110.789 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.42 -39.99 95.11 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.083 -1.01 . . . . 0.0 109.382 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.48 -39.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.662 -0.649 . . . . 0.0 109.293 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.684 -0.635 . . . . 0.0 111.544 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.91 -40.1 87.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.721 -1.237 . . . . 0.0 108.383 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.9 mt -68.23 -38.08 79.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.875 -0.516 . . . . 0.0 111.224 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -68.62 -40.02 80.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.613 -1.304 . . . . 0.0 111.657 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.41 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.14 -37.59 77.65 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.11 -26.94 65.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.694 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.04 -42.91 95.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.744 -1.222 . . . . 0.0 110.131 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 66.6 m-85 -91.78 -40.32 11.29 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.91 -1.119 . . . . 0.0 112.018 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -60.11 -40.12 88.6 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.116 -0.99 . . . . 0.0 111.188 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.12 -9.04 62.86 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.498 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' A' ' 34' ' ' GLU . 39.5 ttm180 -69.63 -43.04 73.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.944 -1.327 . . . . 0.0 110.16 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASP . 87.2 tt0 -113.79 152.89 29.97 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.624 -0.673 . . . . 0.0 109.722 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 -19.51 0.04 OUTLIER Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.15 58.46 0.7 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.8 -1.412 . . . . 0.0 109.229 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -61.0 -40.78 94.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.054 -1.029 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -99.39 0.04 41.94 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.23 -0.919 . . . . 0.0 110.061 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' ASP . 97.5 mttt -141.38 169.03 18.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.044 -1.035 . . . . 0.0 110.561 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' OE1' ' A' ' 31' ' ' GLU . 62.1 mt -135.86 137.37 41.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.652 -0.655 . . . . 0.0 110.293 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 30' ' ' SER . 31.2 mmtp -100.3 153.47 19.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -47.22 -23.38 0.53 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.788 -1.195 . . . . 0.0 108.79 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 47.6 t -74.45 -55.19 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.73 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.7 tt0 -68.63 -29.52 68.04 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.792 -1.192 . . . . 0.0 108.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.71 -40.29 94.53 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.38 -39.97 89.17 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.369 -0.832 . . . . 0.0 111.138 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 9.7 mp0 -68.37 -33.46 74.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.896 -1.128 . . . . 0.0 108.616 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.684 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.1 tt -62.75 -50.96 69.02 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.987 -1.071 . . . . 0.0 108.317 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -76.3 -47.54 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.163 -0.96 . . . . 0.0 111.833 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -65.07 -40.05 94.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.274 -0.891 . . . . 0.0 112.712 -176.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -96.98 -37.73 10.07 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.088 -1.008 . . . . 0.0 112.533 -177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 62.3 tt0 -68.03 -40.54 82.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.609 -1.307 . . . . 0.0 109.161 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.6 64.03 0.8 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.64 -0.662 . . . . 0.0 109.282 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -60.12 -40.07 88.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 110.095 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -136.38 -18.6 1.48 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.218 -0.926 . . . . 0.0 110.562 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.04 -39.99 91.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.897 -1.127 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -127.49 159.72 33.67 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.2 pt-20 -53.86 113.02 1.06 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.66 -1.216 . . . . 0.0 108.847 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -66.46 150.01 49.57 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 109.512 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mt -88.04 139.95 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.103 -0.998 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -114.81 -13.01 12.04 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.542 -0.724 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.4 tp10 -138.32 135.81 35.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.204 -0.935 . . . . 0.0 109.611 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.628 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -63.61 -22.03 66.68 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.4 -0.812 . . . . 0.0 110.571 -178.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 19.3 pt-20 -60.02 -39.14 84.83 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.709 -1.245 . . . . 0.0 109.686 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 69.0 t -59.94 -40.02 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.67 -39.93 84.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.265 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.28 -39.94 92.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.286 -0.884 . . . . 0.0 109.776 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.572 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 34.1 ttmt -64.69 -39.99 94.61 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.936 0.874 . . . . 0.0 108.647 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 t -66.21 -30.75 50.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 82.4 mmm -69.98 -26.85 64.29 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.672 -0.811 . . . . 0.0 108.985 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -39.96 87.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -77.79 -41.39 37.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.775 -0.578 . . . . 0.0 111.174 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 76' ' ' PHE . 24.2 mt -88.23 -17.66 30.32 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.797 -1.189 . . . . 0.0 111.02 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.5 t0 -80.98 58.63 3.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.97 -33.18 71.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.94 -8.89 59.28 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.92 32.21 79.01 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 7.2 p30 -107.56 3.67 25.16 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.232 -1.158 . . . . 0.0 110.435 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.479 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.07 4.46 89.7 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.93 140.58 36.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.629 -0.924 . . . . 0.0 108.683 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.68 138.54 45.89 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 121.817 0.818 . . . . 0.0 109.03 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 37.8 t0 -81.55 170.18 16.18 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.371 0.605 . . . . 0.0 109.984 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 6.9 t80 -53.9 -39.92 66.19 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.25 -50.93 71.71 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.365 -0.835 . . . . 0.0 110.901 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 40.1 mt-10 -61.52 -40.18 93.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.079 -1.013 . . . . 0.0 110.897 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.8 -36.55 84.25 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.418 -0.801 . . . . 0.0 109.702 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.3 mmm -60.0 -38.61 83.14 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.29 0.567 . . . . 0.0 111.033 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.29 74.61 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.622 -1.298 . . . . 0.0 111.223 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.628 ' HB2' HD21 ' A' ' 60' ' ' LEU . 45.2 t80 -66.36 -29.55 69.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.112 -0.993 . . . . 0.0 110.463 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.4 t -66.42 -38.88 82.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.389 -0.819 . . . . 0.0 109.446 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -63.06 -40.49 97.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 mtm -70.8 -40.9 72.24 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.465 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.521 ' HA ' ' HZ3' ' X' ' 111' ' ' LYS . 66.7 t -65.62 -37.93 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.779 -1.2 . . . . 0.0 109.932 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -59.98 -38.42 82.49 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.0 m -58.47 -39.96 81.41 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.92 84.11 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.563 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 7.7 t -59.96 -37.89 80.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.713 -0.617 . . . . 0.0 110.272 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -59.8 -40.0 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.032 -1.042 . . . . 0.0 108.84 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -66.17 -34.13 77.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 109.299 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -92.49 -23.61 19.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.339 -0.85 . . . . 0.0 111.196 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 3.2 m-85 -93.4 22.55 5.18 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.772 -1.205 . . . . 0.0 109.109 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.15 99.66 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 109.395 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -59.96 -40.15 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.772 -0.58 . . . . 0.0 . 179.279 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.307 0.575 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.546 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.9 16.93 0.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -74.83 19.54 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.5 tp -60.09 -36.14 76.75 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.97 -38.91 83.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.197 -0.939 . . . . 0.0 109.379 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.63 -40.02 95.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.283 -0.885 . . . . 0.0 109.749 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.85 -40.08 83.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.15 -40.04 94.63 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.111 -0.993 . . . . 0.0 109.435 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.65 -39.89 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 95.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.659 -0.651 . . . . 0.0 111.527 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.748 -1.22 . . . . 0.0 108.39 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.46 -38.13 78.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.821 -0.549 . . . . 0.0 111.161 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.39 -40.11 81.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.688 -1.257 . . . . 0.0 111.645 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.8 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.902 . . . . 0.0 109.665 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -58.75 -37.74 76.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.437 -0.789 . . . . 0.0 109.055 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -68.99 -27.13 65.42 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.292 -0.88 . . . . 0.0 110.671 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.99 -42.74 94.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.68 -1.263 . . . . 0.0 110.152 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.425 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 66.0 m-85 -91.93 -40.21 11.27 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.936 -1.102 . . . . 0.0 112.053 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.3 -40.11 89.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 111.227 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.2 -8.95 62.95 Favored Glycine 0 N--CA 1.492 2.396 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.467 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.414 HH12 ' HB3' ' B' ' 34' ' ' GLU . 41.0 ttm180 -69.78 -42.9 73.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.901 -1.352 . . . . 0.0 110.031 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 23' ' ' ASP . 84.8 tt0 -113.48 152.98 29.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.667 -0.646 . . . . 0.0 109.708 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.24 -18.9 0.04 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.5 m-20 -74.3 58.15 0.71 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.827 -1.396 . . . . 0.0 109.209 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -60.52 -40.92 93.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.085 -1.009 . . . . 0.0 110.19 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -99.4 0.01 41.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.206 -0.934 . . . . 0.0 110.201 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 97.1 mttt -141.17 168.99 18.46 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.122 -0.986 . . . . 0.0 110.678 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' B' ' 27' ' ' LEU . 59.1 mt -135.85 137.21 41.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.685 -0.634 . . . . 0.0 110.351 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' B' ' 29' ' ' LYS . 30.5 mmtp -100.21 153.53 19.2 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 50.9 pttt -47.32 -23.38 0.56 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.846 -1.159 . . . . 0.0 108.796 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.46 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 47.5 t -74.34 -55.21 6.27 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.695 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 31.8 tt0 -68.51 -29.78 68.45 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.876 -1.14 . . . . 0.0 108.076 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.87 -40.05 94.01 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.28 -40.0 88.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 111.116 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 9.9 mp0 -68.44 -33.48 74.27 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.922 -1.111 . . . . 0.0 108.608 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.69 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.0 tt -62.6 -51.24 68.09 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 118.887 -1.125 . . . . 0.0 108.258 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -76.17 -47.55 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.841 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -65.2 -40.0 93.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 0.0 112.706 -176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -96.69 -38.15 10.03 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.059 -1.025 . . . . 0.0 112.488 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 63.5 tt0 -67.68 -40.34 84.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.537 -1.352 . . . . 0.0 109.28 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.5 63.56 0.79 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.565 -0.709 . . . . 0.0 109.338 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -59.99 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 110.207 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.4 -18.82 1.46 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.185 -0.947 . . . . 0.0 110.457 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.929 -1.107 . . . . 0.0 109.945 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.57 159.78 33.57 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 11.1 pt-20 -53.83 112.97 1.04 Allowed 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.807 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -66.45 149.99 49.59 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.397 -0.815 . . . . 0.0 109.516 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.02 140.02 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.182 -0.948 . . . . 0.0 109.983 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -114.91 -12.95 11.98 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.482 -0.761 . . . . 0.0 109.385 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 48.8 tp10 -138.43 135.66 35.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.629 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 1.0 OUTLIER -63.25 -22.38 66.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.366 -0.834 . . . . 0.0 110.61 -178.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 19.2 pt-20 -59.95 -39.07 84.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.729 -1.232 . . . . 0.0 109.621 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.0 -40.03 81.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.57 -40.08 85.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.77 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.641 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 34.1 ttmt -64.51 -40.04 94.9 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.5 t -66.12 -30.68 50.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.4 mmm -69.95 -27.16 64.52 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.042 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.82 -39.98 86.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -77.8 -41.31 37.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.727 -0.608 . . . . 0.0 111.208 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' B' ' 76' ' ' PHE . 24.2 mt -88.21 -17.88 29.89 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.789 -1.195 . . . . 0.0 110.992 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -81.02 58.9 3.61 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -60.06 -33.51 72.15 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 68.4 m-20 -78.68 -8.88 59.12 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.84 32.02 77.96 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 7.2 p30 -107.35 3.65 25.56 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.279 -1.13 . . . . 0.0 110.415 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.06 4.58 89.72 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.97 140.61 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.639 -0.918 . . . . 0.0 108.686 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 138.37 46.22 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.357 -0.84 . . . . 0.0 109.019 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.0 t0 -81.27 170.43 16.07 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.406 0.622 . . . . 0.0 109.938 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 6.8 t80 -54.25 -40.01 67.34 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.14 -50.87 72.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 40.1 mt-10 -61.6 -40.09 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.031 -1.043 . . . . 0.0 110.823 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.74 -36.73 84.83 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.415 -0.803 . . . . 0.0 109.693 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.04 -38.55 83.06 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.3 0.571 . . . . 0.0 111.038 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.36 74.86 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.677 -1.265 . . . . 0.0 111.175 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.647 ' HB2' HD21 ' B' ' 60' ' ' LEU . 48.4 t80 -66.43 -29.47 69.62 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.083 -1.011 . . . . 0.0 110.429 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.4 t -66.33 -39.03 83.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -63.37 -40.15 96.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 0.0 110.336 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 5.9 mtm -70.8 -40.88 72.27 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.13 -0.982 . . . . 0.0 111.451 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.514 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 65.7 t -65.59 -37.94 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.792 -1.192 . . . . 0.0 109.829 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -59.95 -38.61 82.94 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 m -58.29 -40.02 80.84 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.34 85.6 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 8.4 t -59.87 -37.64 79.92 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.767 -0.583 . . . . 0.0 110.204 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.87 -40.01 87.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.928 -1.108 . . . . 0.0 108.789 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.24 -34.0 77.03 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.455 -0.778 . . . . 0.0 109.257 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -92.58 -23.5 19.02 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.387 -0.821 . . . . 0.0 111.326 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 3.2 m-85 -93.51 22.62 5.2 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.769 -1.207 . . . . 0.0 109.033 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -57.34 99.72 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.392 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.467 -0.771 . . . . 0.0 109.023 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.727 -0.608 . . . . 0.0 . 179.227 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -75.29 146.66 40.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.295 -0.878 . . . . 0.0 109.551 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.19 129.99 39.27 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.186 -0.947 . . . . 0.0 108.608 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 95' ' ' LYS . . . . . 0.451 ' HD3' ' H ' ' X' ' 95' ' ' LYS . 0.0 OUTLIER -62.74 -41.21 99.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.677 -179.285 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 96' ' ' SER . . . . . 0.42 ' C ' ' O ' ' X' ' 95' ' ' LYS . 15.0 t 40.89 47.49 2.57 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.553 -0.717 . . . . 0.0 110.001 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -101.63 115.41 30.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 109.32 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -94.59 0.21 55.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.91 -173.69 28.25 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -103.49 139.91 38.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.98 . . . . 0.0 110.1 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.52 ' O ' ' N ' ' X' ' 103' ' ' SER . 99.4 p -62.3 -27.84 69.31 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.461 -0.775 . . . . 0.0 109.125 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.2 t -40.37 -24.66 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.691 0.758 . . . . 0.0 109.611 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.52 ' N ' ' O ' ' X' ' 101' ' ' SER . 28.0 t -50.05 -28.63 7.37 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.434 -0.792 . . . . 0.0 109.11 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.457 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.91 -40.07 87.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.86 . . . . 0.0 110.617 -179.223 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.662 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.3 p-80 -60.89 -40.08 91.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.625 -1.297 . . . . 0.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.662 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.7 ttpt -60.88 -37.59 82.71 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.601 0.715 . . . . 0.0 109.553 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.31 -39.96 76.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.119 -0.988 . . . . 0.0 109.265 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.756 HD11 ' NZ ' ' X' ' 111' ' ' LYS . 10.2 tp -71.73 -26.41 62.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.268 -0.895 . . . . 0.0 109.612 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.43 ' O ' ' C ' ' X' ' 110' ' ' PHE . 17.3 mmt -57.45 -24.61 56.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.928 -1.107 . . . . 0.0 109.595 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -40.0 -49.56 2.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.756 ' NZ ' HD11 ' X' ' 108' ' ' LEU . 9.4 ptpt -73.35 -32.71 64.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 79.6 p -59.98 -37.91 81.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.471 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.571 -0.706 . . . . 0.0 . 178.501 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -75.27 146.71 40.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.39 129.8 38.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.149 -0.969 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . 0.446 ' HD3' ' H ' ' Y' ' 95' ' ' LYS . 0.0 OUTLIER -62.29 -41.41 98.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 109.729 -179.305 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . 0.41 ' C ' ' O ' ' Y' ' 95' ' ' LYS . 11.6 t 41.21 46.64 2.72 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 110.132 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.28 115.55 30.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.251 -0.906 . . . . 0.0 109.304 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -94.7 0.2 54.83 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.302 -0.874 . . . . 0.0 109.241 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.17 -173.65 27.89 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -103.48 139.68 38.5 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -1.004 . . . . 0.0 110.071 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.529 ' O ' ' N ' ' Y' ' 103' ' ' SER . 95.2 p -62.09 -27.8 69.17 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.369 -0.832 . . . . 0.0 109.169 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.561 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.0 t -40.36 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.669 0.747 . . . . 0.0 109.646 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.529 ' N ' ' O ' ' Y' ' 101' ' ' SER . 23.1 t -50.05 -28.55 7.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.449 -0.782 . . . . 0.0 109.081 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.471 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.1 OUTLIER -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 0.0 110.738 -179.182 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.659 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.5 p-80 -60.85 -40.1 91.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.736 -1.228 . . . . 0.0 109.247 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.659 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.5 ttpt -60.7 -37.43 81.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.569 -0.707 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.59 -40.04 78.14 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.192 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.753 HD11 ' NZ ' ' Y' ' 111' ' ' LYS . 9.4 tp -71.52 -26.58 62.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.317 -0.864 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.438 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 17.4 mmt -57.37 -24.57 56.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.174 . . . . 0.0 109.638 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.585 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.6 p90 -40.08 -49.5 2.57 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.384 -0.822 . . . . 0.0 110.103 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.753 ' NZ ' HD11 ' Y' ' 108' ' ' LEU . 9.6 ptpt -73.2 -33.16 65.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 77.0 p -60.04 -37.08 78.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.976 -1.077 . . . . 0.0 108.587 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.527 -0.733 . . . . 0.0 . 178.327 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.421 ' O ' ' OG ' ' A' ' 1' ' ' SER . 67.5 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 0' ' ' MET . 5.2 p 61.79 25.65 15.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.242 -0.911 . . . . 0.0 109.508 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -76.29 -9.64 58.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.48 -0.763 . . . . 0.0 109.55 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' GLU . 22.8 tp -42.35 -24.15 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.476 -0.765 . . . . 0.0 110.378 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' GLU . 14.0 tm-20 -69.16 -39.86 78.54 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.001 -1.062 . . . . 0.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -73.01 -33.1 65.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.854 -1.154 . . . . 0.0 109.506 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -41.51 76.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 110.861 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.34 -40.02 95.06 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 109.777 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.61 -36.92 78.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.646 -0.659 . . . . 0.0 109.63 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.31 88.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.588 -0.695 . . . . 0.0 111.334 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.99 -39.81 87.02 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.327 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.87 -39.94 82.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -60.48 -40.04 89.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.742 -1.224 . . . . 0.0 111.236 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -32.57 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.149 -0.969 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' A' ' 18' ' ' SER . 84.9 t80 -57.42 -46.39 83.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.131 -0.981 . . . . 0.0 109.193 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -76.73 -22.07 54.37 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.6 -41.92 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.13 -0.981 . . . . 0.0 111.011 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -119.8 -25.05 5.97 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 120.985 -1.072 . . . . 0.0 111.319 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 78.4 p -63.29 -39.97 96.06 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.745 -1.222 . . . . 0.0 109.916 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.68 -1.22 53.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.85 -45.98 90.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.122 -1.222 . . . . 0.0 109.67 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -115.09 171.93 7.37 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-O 121.61 0.719 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -52.98 -30.36 37.3 Favored Glycine 0 N--CA 1.493 2.47 0 O-C-N 121.504 -0.747 . . . . 0.0 111.356 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.9 m-20 -68.72 46.97 0.06 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.594 -1.533 . . . . 0.0 109.658 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' GLY . 7.5 ttpm? -66.68 -38.78 87.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.923 -1.111 . . . . 0.0 109.534 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -77.82 -15.46 59.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.463 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' O ' ' O ' ' A' ' 23' ' ' ASP . 52.6 pttt -140.8 154.19 46.13 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.797 -1.189 . . . . 0.0 109.304 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.6 110.03 22.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.093 -1.005 . . . . 0.0 109.997 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.8 tttp -81.75 152.41 27.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.767 -1.208 . . . . 0.0 108.245 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.45 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.088 -1.008 . . . . 0.0 108.735 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LYS . 91.0 p -73.96 -47.84 34.65 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.647 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.88 -34.43 73.55 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.93 -40.65 89.64 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.53 87.01 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 109.542 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.08 -39.82 93.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -60.07 -50.01 75.39 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.453 HG21 ' CD1' ' A' ' 47' ' ' ILE . 96.1 mt -74.49 -46.98 41.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 121.241 -0.912 . . . . 0.0 113.459 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -78.53 -43.21 27.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.702 -1.249 . . . . 0.0 113.026 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -95.98 -32.94 12.35 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -86.12 -11.01 53.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.281 -1.512 . . . . 0.0 110.648 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -113.33 53.9 0.75 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.254 -0.904 . . . . 0.0 109.147 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 43' ' ' PHE . 9.4 p -57.94 100.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.909 . . . . 0.0 109.531 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 55.5 -2.65 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.672 -0.642 . . . . 0.0 110.692 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.0 t80 -69.9 -38.52 76.33 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.881 -1.137 . . . . 0.0 107.975 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -129.76 -144.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.0 tt0 -93.96 106.65 18.61 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.124 -0.985 . . . . 0.0 108.725 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -68.41 136.8 53.86 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.04 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 36' ' ' ILE . 64.4 mt -92.9 135.53 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.683 ' NZ ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -109.58 -23.21 11.59 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 110.73 -177.374 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.3 tp10 -120.81 136.95 54.77 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -60.65 -25.84 66.62 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.652 -0.655 . . . . 0.0 110.724 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.6 pt-20 -59.95 -37.08 78.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.941 -1.099 . . . . 0.0 110.053 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.13 -39.94 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.906 -1.121 . . . . 0.0 108.075 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -65.57 -33.87 66.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 121.863 -0.523 . . . . 0.0 110.071 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.86 -38.32 86.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.973 0.892 . . . . 0.0 109.667 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.02 -39.6 75.69 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.73 -30.64 50.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.68 -39.98 71.71 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.491 -1.38 . . . . 0.0 107.74 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -79.36 -42.92 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.563 -0.711 . . . . 0.0 111.619 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 76' ' ' PHE . 10.8 mt -88.41 -16.64 32.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.823 -1.173 . . . . 0.0 110.908 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.1 t0 -80.68 58.6 3.33 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -60.03 -38.43 82.7 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.4 m-20 -73.49 -11.1 60.34 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.19 28.81 67.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.5 p-10 -107.11 4.93 27.41 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -1.117 . . . . 0.0 109.97 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.68 2.57 85.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.2 mt-10 -135.99 132.29 36.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.776 -0.837 . . . . 0.0 108.888 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.34 44.83 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.48 164.93 22.03 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.32 -0.863 . . . . 0.0 109.329 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 3.2 t80 -49.18 -39.99 31.41 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -61.87 -46.84 87.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.45 -0.781 . . . . 0.0 110.464 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 36.2 mt-10 -59.97 -40.17 88.16 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.807 -178.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -67.89 -36.45 80.26 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.088 -1.008 . . . . 0.0 109.077 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.434 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 82.1 mmm -60.08 -39.65 86.82 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.675 -0.641 . . . . 0.0 110.701 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -32.36 72.78 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.782 -1.199 . . . . 0.0 110.936 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.612 ' HB2' HD21 ' A' ' 60' ' ' LEU . 33.5 t80 -61.43 -38.26 86.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.895 -1.128 . . . . 0.0 109.717 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.7 -38.03 77.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.7 p -62.01 -40.01 94.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.184 -0.948 . . . . 0.0 109.369 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.1 mtp -70.12 -46.56 64.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.571 -0.706 . . . . 0.0 111.71 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.43 -38.0 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.267 -0.895 . . . . 0.0 110.11 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.2 m -60.05 -39.97 87.83 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.42 -39.4 60.91 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.76 86.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.9 m -59.75 -33.15 71.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.516 -0.74 . . . . 0.0 109.665 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.99 -40.08 87.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.953 -1.092 . . . . 0.0 108.83 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.6 -37.96 83.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.37 -0.831 . . . . 0.0 109.712 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -93.81 -21.44 19.28 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.212 -0.93 . . . . 0.0 110.787 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' CYS . 36.6 t80 -80.07 -10.11 59.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.866 -1.146 . . . . 0.0 110.4 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.51 88.24 4.48 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.61 -1.306 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -61.12 -40.01 92.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.274 -0.891 . . . . 0.0 108.8 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.469 -0.769 . . . . 0.0 . 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.8 p 61.83 25.63 15.44 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 109.593 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -76.35 -9.32 58.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.488 -0.758 . . . . 0.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 tp -42.47 -24.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 2' ' ' GLU . 14.1 tm-20 -69.07 -39.95 78.79 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -73.01 -33.36 65.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.93 -1.106 . . . . 0.0 109.496 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -41.56 76.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.412 -0.805 . . . . 0.0 110.915 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.4 mtt -64.23 -40.02 95.18 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.007 -1.058 . . . . 0.0 109.813 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.7 -36.75 78.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 121.597 -0.69 . . . . 0.0 109.618 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.44 88.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 111.329 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.81 -40.12 87.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.766 -1.209 . . . . 0.0 108.443 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.74 -39.87 82.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -60.55 -40.19 90.67 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.664 -1.273 . . . . 0.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.93 -32.51 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.159 -0.963 . . . . 0.0 109.445 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.45 ' O ' ' OG ' ' B' ' 18' ' ' SER . 85.2 t80 -57.38 -46.28 83.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.261 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -76.71 -22.35 54.02 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.28 -0.887 . . . . 0.0 110.749 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.26 -42.32 73.38 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.055 -1.028 . . . . 0.0 110.936 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -119.65 -24.89 6.09 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.986 -1.071 . . . . 0.0 111.448 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 75.0 p -63.52 -40.0 95.89 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.769 -1.207 . . . . 0.0 109.917 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.62 -1.13 52.28 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.025 -1.279 . . . . 0.0 109.594 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.24 172.18 7.24 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.522 -0.736 . . . . 0.0 110.036 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -52.89 -30.9 38.01 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.0 m-20 -68.62 47.12 0.06 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.623 -1.516 . . . . 0.0 109.695 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 22' ' ' GLY . 7.4 ttpm? -66.66 -38.82 87.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.94 -1.1 . . . . 0.0 109.554 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -78.01 -15.12 59.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.409 -0.807 . . . . 0.0 111.397 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' B' ' 23' ' ' ASP . 53.1 pttt -140.98 154.18 45.93 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.743 -1.223 . . . . 0.0 109.421 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 mt -106.49 110.11 22.23 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.139 -0.976 . . . . 0.0 110.004 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.6 tttp -81.94 152.33 26.81 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.713 -1.242 . . . . 0.0 108.228 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.59 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 0.0 108.712 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 28' ' ' LYS . 96.3 p -73.68 -48.23 33.76 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.639 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.51 -34.32 74.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.023 -1.048 . . . . 0.0 108.249 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.08 -40.43 89.49 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.12 -39.8 87.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.361 -0.837 . . . . 0.0 109.601 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -39.78 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.456 HD22 ' O ' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -60.08 -50.0 75.42 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.17 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' B' ' 47' ' ' ILE . 97.0 mt -74.66 -47.02 40.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 O-C-N 121.248 -0.907 . . . . 0.0 113.355 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -78.37 -43.34 27.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.714 -1.241 . . . . 0.0 113.08 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -96.04 -33.03 12.27 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.157 -0.964 . . . . 0.0 113.49 -176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.9 -10.93 54.47 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.243 -1.536 . . . . 0.0 110.725 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.1 mt -113.33 53.92 0.75 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.209 -0.932 . . . . 0.0 109.08 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.548 ' C ' ' H ' ' B' ' 43' ' ' PHE . 8.2 p -57.83 100.7 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 0.0 109.547 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.7 m80 55.43 -2.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.702 -0.624 . . . . 0.0 110.671 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.548 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.1 t80 -69.96 -38.51 76.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 108.09 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.476 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.6 tp -129.79 -144.74 0.27 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.476 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -94.01 106.43 18.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 108.873 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.4 136.73 53.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.148 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' B' ' 36' ' ' ILE . 59.8 mt -92.69 135.5 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.632 ' NZ ' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -109.47 -23.41 11.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.639 -0.663 . . . . 0.0 110.751 -177.36 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.3 tp10 -120.78 137.24 54.62 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.837 . . . . 0.0 109.709 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -60.86 -25.88 66.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.653 -0.655 . . . . 0.0 110.655 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.465 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.7 pt-20 -59.91 -37.0 78.17 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.996 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.16 -39.84 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.925 -1.109 . . . . 0.0 108.128 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.83 -33.86 66.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 O-C-N 121.875 -0.516 . . . . 0.0 110.076 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -66.77 -38.47 86.63 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.096 0.95 . . . . 0.0 109.663 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -69.91 -39.62 76.08 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.231 1.015 . . . . 0.0 108.348 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.67 -30.72 50.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.577 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -63.42 -36.92 85.33 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.66 -40.03 71.72 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.477 -1.389 . . . . 0.0 107.729 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -79.45 -42.73 24.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 0.0 111.598 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' B' ' 76' ' ' PHE . 10.4 mt -88.55 -16.57 32.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.825 -1.172 . . . . 0.0 110.863 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.5 t0 -80.74 58.61 3.37 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.0 -38.43 82.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 1.4 m-20 -73.55 -11.02 60.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.24 28.87 67.52 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 41.9 p-10 -107.17 5.07 27.43 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.244 -1.151 . . . . 0.0 109.997 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.458 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.64 2.4 85.2 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.6 mt-10 -136.19 132.47 35.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.796 -0.826 . . . . 0.0 108.87 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.26 44.84 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.47 164.88 22.13 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.341 -0.85 . . . . 0.0 109.301 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.437 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 3.3 t80 -49.13 -39.98 30.73 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.87 -46.76 88.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 110.423 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 36.2 mt-10 -60.08 -40.12 88.43 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 110.648 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.14 -36.16 79.26 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.076 -1.015 . . . . 0.0 109.011 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.437 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 83.5 mmm -59.99 -39.61 86.32 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.363 0.602 . . . . 0.0 110.715 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.39 72.7 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.696 -1.253 . . . . 0.0 110.889 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.627 ' HB2' HD21 ' B' ' 60' ' ' LEU . 34.6 t80 -61.48 -38.06 85.91 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.865 -1.147 . . . . 0.0 109.74 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.475 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.3 t -60.75 -38.08 77.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.834 -0.541 . . . . 0.0 110.072 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 74.1 p -61.91 -40.0 93.96 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.235 -0.915 . . . . 0.0 109.441 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.9 mtp -70.07 -46.54 64.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.544 -0.723 . . . . 0.0 111.793 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.61 -37.82 79.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -60.06 -39.96 87.83 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -52.55 -39.27 61.27 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 88' ' ' PHE . 34.9 m -59.75 -33.1 71.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -59.95 -40.17 88.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.908 -1.12 . . . . 0.0 108.818 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.64 -37.75 82.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.434 -0.791 . . . . 0.0 109.75 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -94.04 -21.48 19.13 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.252 -0.905 . . . . 0.0 110.721 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 36.9 t80 -79.98 -10.01 59.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.907 -1.121 . . . . 0.0 110.368 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' B' ' 89' ' ' GLU . 6.2 pt-20 -78.73 88.23 4.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.528 -1.357 . . . . 0.0 109.458 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -61.04 -40.05 92.11 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.274 -0.891 . . . . 0.0 108.782 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.519 -0.738 . . . . 0.0 . 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.322 0.582 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 93' ' ' HIS . . . . . 0.54 ' CG ' ' H ' ' X' ' 94' ' ' LEU . 24.9 t-80 53.76 -121.53 1.86 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.54 ' H ' ' CG ' ' X' ' 93' ' ' HIS . 82.6 mt -111.47 132.74 54.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -107.42 128.26 54.32 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.281 -0.887 . . . . 0.0 110.084 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 38.0 p -126.66 2.88 6.79 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.582 -0.699 . . . . 0.0 109.132 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.892 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -68.28 136.7 53.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.032 -1.042 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.29 30.2 0.14 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -98.87 136.51 38.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.243 -1.151 . . . . 0.0 109.571 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.513 ' O ' ' N ' ' X' ' 103' ' ' SER . 70.2 m -60.05 -36.84 78.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.528 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 13.1 t -40.5 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.448 0.642 . . . . 0.0 109.725 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.513 ' N ' ' O ' ' X' ' 101' ' ' SER . 33.0 t -47.73 -24.57 0.98 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.683 HH11 ' NZ ' ' A' ' 48' ' ' LYS . 98.5 mtt180 -59.98 -38.3 82.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.654 -0.654 . . . . 0.0 109.751 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.2 p-80 -58.65 -36.23 73.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.602 -1.311 . . . . 0.0 108.794 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 51.9 tptt -59.96 -27.94 67.24 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.85 -42.41 93.6 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.951 -1.093 . . . . 0.0 108.661 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.587 HD21 ' HZ3' ' X' ' 111' ' ' LYS . 4.1 tp -69.11 -40.0 78.6 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -42.39 -24.43 0.05 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.807 -1.183 . . . . 0.0 110.198 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -44.01 -49.06 8.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.226 -0.921 . . . . 0.0 109.498 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -69.42 -34.58 74.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.646 -0.659 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 90.2 m -60.02 -39.92 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.451 -0.781 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.238 0.542 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . 0.549 ' CG ' ' H ' ' Y' ' 94' ' ' LEU . 24.6 t-80 53.78 -121.52 1.85 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.85 . . . . 0.0 110.263 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.549 ' H ' ' CG ' ' Y' ' 93' ' ' HIS . 84.8 mt -111.41 132.75 54.22 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -107.42 128.15 54.22 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.296 -0.878 . . . . 0.0 109.995 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 41.4 p -126.71 2.99 6.75 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.12 -40.0 88.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.908 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -68.1 136.49 53.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.242 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.52 29.96 0.13 Allowed Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.91 136.29 39.11 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.248 -1.148 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.499 ' O ' ' N ' ' Y' ' 103' ' ' SER . 75.6 m -59.86 -36.71 77.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.273 -0.892 . . . . 0.0 109.463 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.525 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 12.3 t -40.71 -24.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.564 0.697 . . . . 0.0 109.702 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.499 ' N ' ' O ' ' Y' ' 101' ' ' SER . 34.0 t -47.76 -24.65 1.01 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.632 HH11 ' NZ ' ' B' ' 48' ' ' LYS . 98.1 mtt180 -59.77 -38.38 81.68 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.615 -0.678 . . . . 0.0 109.755 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.61 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.0 p-80 -58.52 -36.36 73.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.661 -1.274 . . . . 0.0 108.795 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.0 tptt -59.99 -28.04 67.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.96 -41.98 93.1 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.938 -1.101 . . . . 0.0 108.646 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.511 HD21 ' HZ3' ' Y' ' 111' ' ' LYS . 4.1 tp -69.35 -39.88 77.87 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -42.44 -24.48 0.06 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.842 -1.162 . . . . 0.0 110.183 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -44.04 -49.0 8.89 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.18 -0.95 . . . . 0.0 109.471 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.635 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.6 OUTLIER -69.63 -34.42 74.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 109.32 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.0 -39.84 87.15 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.523 -0.736 . . . . 0.0 . 179.226 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.142 0.496 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 3' ' ' LEU . 3.6 m 58.88 13.97 3.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.305 -0.872 . . . . 0.0 109.69 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -75.63 22.63 0.13 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 1' ' ' SER . 44.8 tp -70.98 -32.11 68.86 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 110.84 -178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -63.8 -39.47 94.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.815 -1.178 . . . . 0.0 111.026 -178.396 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 5.9 ptpt -72.11 -36.21 69.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.789 -1.194 . . . . 0.0 109.489 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.09 87.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.41 -0.806 . . . . 0.0 110.797 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mtt -62.94 -40.12 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.76 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.19 86.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.892 -0.505 . . . . 0.0 111.812 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -69.41 -39.95 79.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.84 -0.537 . . . . 0.0 111.255 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.4 t0 -59.95 -46.3 89.85 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.714 -1.241 . . . . 0.0 111.787 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -39.89 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.008 -1.058 . . . . 0.0 109.698 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.98 -38.3 75.81 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -70.02 -23.93 63.2 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -59.99 -43.44 95.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.623 -1.298 . . . . 0.0 110.154 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -93.88 -36.68 12.1 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 120.764 -1.21 . . . . 0.0 111.886 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 t -59.99 -47.08 87.28 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.952 -1.093 . . . . 0.0 110.054 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.45 -5.29 89.91 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.06 -48.89 79.85 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.892 -1.358 . . . . 0.0 109.055 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.86 -73.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 23' ' ' ASP . . . 175.33 -7.45 0.03 OUTLIER Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 9.9 m-20 -83.63 72.3 10.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -1.221 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -69.91 -40.03 75.82 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.219 -0.926 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.15 -20.04 56.06 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.257 -0.902 . . . . 0.0 111.421 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -143.63 158.08 43.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.864 -1.147 . . . . 0.0 109.625 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.17 133.17 55.56 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 30' ' ' SER . 94.5 mttt -95.96 153.68 17.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -49.77 -22.61 1.47 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.3 t -74.49 -52.05 13.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.18 -36.15 82.69 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.99 -42.74 94.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.805 -0.56 . . . . 0.0 110.059 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.38 -40.05 89.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.089 -1.007 . . . . 0.0 110.215 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -66.72 -37.32 84.45 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.109 -0.995 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.66 -50.0 72.91 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.838 -1.164 . . . . 0.0 109.308 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.02 -45.57 48.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.582 -0.699 . . . . 0.0 111.661 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.95 -39.04 79.74 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.968 -1.083 . . . . 0.0 111.875 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.17 -35.11 10.49 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 113.311 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.7 tp10 -85.6 -11.99 52.61 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.186 -1.571 . . . . 0.0 110.448 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 39' ' ' GLU . 8.1 mt -137.43 47.73 2.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.211 -0.93 . . . . 0.0 108.673 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -65.28 -40.2 93.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 110.503 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.28 -31.29 6.02 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.288 -0.882 . . . . 0.0 110.072 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.61 -38.99 89.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.6 159.99 34.66 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -55.27 113.28 1.33 Allowed 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.401 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 149.21 45.36 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.959 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.469 HG21 HG23 ' A' ' 53' ' ' VAL . 5.7 mm -88.9 120.16 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -7.08 30.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.503 -0.748 . . . . 0.0 108.992 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -139.91 138.71 35.86 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.893 . . . . 0.0 110.167 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -66.12 -22.35 66.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.7 pt-20 -60.05 -39.54 86.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.348 -0.845 . . . . 0.0 109.814 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.408 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 72.3 t -60.02 -39.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.231 -0.918 . . . . 0.0 108.624 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 47' ' ' ILE . 45.2 t -64.18 -40.01 87.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.066 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.74 -39.95 93.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.364 -0.835 . . . . 0.0 109.83 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.23 -39.96 89.92 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.32 -32.59 57.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.079 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.43 -37.52 70.32 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -79.17 -45.37 20.07 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.165 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.36 -14.8 37.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 0.0 110.729 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.87 61.87 4.66 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.77 -39.54 85.19 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.719 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 55.6 p-10 -81.08 -7.01 59.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.139 -0.976 . . . . 0.0 109.407 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 35.66 90.72 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.002 -1.094 . . . . 0.0 110.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.4 p-10 -105.91 1.0 26.35 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.002 -1.293 . . . . 0.0 109.751 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.01 5.09 89.72 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.577 -1.809 . . . . 0.0 108.577 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.6 mt-10 -136.73 136.07 38.66 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.1 126.3 44.82 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.896 -1.128 . . . . 0.0 108.518 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.0 159.93 32.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.562 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' B' ' 82' ' ' THR . 6.5 t80 -47.49 -39.98 17.32 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 109.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.93 -38.99 87.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.994 -1.066 . . . . 0.0 109.795 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.17 -40.02 90.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.937 -1.102 . . . . 0.0 110.17 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.708 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.97 -37.48 79.73 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.247 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.14 76.04 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.323 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.03 -40.17 88.42 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.994 -1.066 . . . . 0.0 110.416 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.446 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -59.95 -37.65 73.16 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.762 -0.586 . . . . 0.0 110.135 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.0 m -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.491 -0.883 . . . . 0.0 108.996 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.433 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 89.6 mtp -61.76 -50.03 74.03 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.612 0.72 . . . . 0.0 112.046 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.07 -33.65 59.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 O-C-N 120.628 -1.295 . . . . 0.0 110.128 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -60.45 -39.99 89.52 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.266 -0.896 . . . . 0.0 109.109 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.495 HG23 ' CE2' ' B' ' 70' ' ' PHE . 5.4 m -54.3 -39.04 66.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.44 85.88 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.71 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 m -56.41 -33.9 66.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -60.04 -38.71 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.99 -37.81 80.76 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -82.97 -39.65 21.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.894 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.17 73.91 4.64 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -82.15 99.35 9.18 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -81.91 97.82 8.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 109.287 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 . 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.508 ' C ' ' H ' ' B' ' 3' ' ' LEU . 3.7 m 59.25 13.64 3.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.268 -0.895 . . . . 0.0 109.667 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.5 22.62 0.13 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' B' ' 1' ' ' SER . 45.0 tp -70.98 -32.31 69.11 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.057 -1.027 . . . . 0.0 110.844 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 1' ' ' SER . 1.0 OUTLIER -63.59 -39.73 95.14 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.864 -1.148 . . . . 0.0 110.986 -178.34 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.438 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 6.0 ptpt -71.91 -36.26 69.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.801 -1.187 . . . . 0.0 109.544 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.11 87.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.364 -0.835 . . . . 0.0 110.845 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.1 mtt -62.8 -40.18 96.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.984 -1.073 . . . . 0.0 109.175 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -39.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.16 86.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.898 -0.501 . . . . 0.0 111.795 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -40.02 87.56 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -40.07 79.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 121.939 -0.476 . . . . 0.0 111.132 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 12' ' ' ASP . 60.8 t0 -59.91 -46.45 89.33 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.755 -1.215 . . . . 0.0 111.666 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.67 -39.9 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 120.936 -1.102 . . . . 0.0 109.785 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.99 -38.31 75.86 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.012 -1.055 . . . . 0.0 109.117 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -70.05 -23.78 63.15 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 110.443 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -60.03 -43.43 95.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.587 -1.321 . . . . 0.0 110.191 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.9 -36.84 12.01 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.806 -1.184 . . . . 0.0 111.883 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 t -59.99 -46.59 88.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.917 -1.114 . . . . 0.0 110.114 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 -5.32 90.17 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -48.96 79.53 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.872 -1.369 . . . . 0.0 109.028 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -88.71 -73.95 0.48 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.72 -7.91 0.03 OUTLIER Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.9 m-20 -83.13 72.07 10.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.147 -1.208 . . . . 0.0 109.736 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -69.9 -39.81 76.0 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.202 -0.936 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -77.43 -20.24 54.82 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.21 -0.931 . . . . 0.0 111.32 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.7 pttp -143.31 158.2 43.83 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.84 -1.162 . . . . 0.0 109.731 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.35 133.03 55.52 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 30' ' ' SER . 95.0 mttt -95.75 153.88 17.51 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.772 -1.205 . . . . 0.0 110.076 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -49.96 -22.73 1.66 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.435 ' N ' ' C ' ' B' ' 28' ' ' LYS . 41.0 t -74.27 -52.38 12.49 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.89 -36.38 83.12 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.01 -42.46 94.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.792 -0.568 . . . . 0.0 110.045 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.56 -39.97 89.89 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.027 . . . . 0.0 110.125 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.67 -37.44 84.77 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.171 -0.956 . . . . 0.0 109.766 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.69 -50.04 72.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.894 -1.129 . . . . 0.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.99 -45.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.478 -0.764 . . . . 0.0 111.475 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -69.09 -38.99 79.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 111.994 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -98.07 -35.56 10.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.237 -0.914 . . . . 0.0 113.287 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.707 ' O ' HD23 ' B' ' 40' ' ' LEU . 3.7 tp10 -85.4 -11.57 54.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.265 -1.522 . . . . 0.0 110.418 -177.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.707 HD23 ' O ' ' B' ' 39' ' ' GLU . 8.2 mt -137.92 47.5 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.189 -0.945 . . . . 0.0 108.641 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -65.43 -40.12 92.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 110.453 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -115.21 -31.31 6.04 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.218 -0.926 . . . . 0.0 110.156 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.62 -39.16 90.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.0 109.705 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.31 160.02 34.33 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -55.32 113.26 1.33 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.17 149.06 46.27 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.508 0.671 . . . . 0.0 109.968 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.474 HG21 HG23 ' B' ' 53' ' ' VAL . 5.6 mm -88.79 120.14 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -6.85 30.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.462 -0.774 . . . . 0.0 109.064 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.418 ' OE2' ' OG ' ' Y' ' 101' ' ' SER . 43.9 mt-10 -140.0 138.29 35.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.286 -0.884 . . . . 0.0 110.186 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.6 -22.67 66.69 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.7 pt-20 -59.99 -39.51 85.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.259 -0.901 . . . . 0.0 109.887 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 65.1 t -60.0 -39.96 81.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.17 -0.956 . . . . 0.0 108.646 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.474 HG23 HG21 ' B' ' 47' ' ' ILE . 47.0 t -64.06 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.011 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.77 -40.07 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.881 . . . . 0.0 109.791 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -66.12 -40.01 90.36 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.34 -32.52 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.8 mmm -69.94 -29.89 67.15 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.109 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.57 -37.04 70.02 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.7 m -79.62 -45.48 19.03 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.209 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.19 -14.64 38.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.775 -1.203 . . . . 0.0 110.722 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.6 t0 -80.95 61.89 4.73 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.74 -39.55 85.13 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.777 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -81.16 -7.01 59.48 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.346 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.19 35.58 90.62 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.87 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.4 p-10 -105.79 1.2 26.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.285 . . . . 0.0 109.777 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.09 4.67 89.75 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -136.38 136.15 39.37 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.26 126.28 45.05 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.858 -1.151 . . . . 0.0 108.558 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 160.0 32.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 82' ' ' THR . 6.6 t80 -47.61 -39.94 18.18 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.407 -0.808 . . . . 0.0 109.019 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.81 -39.22 87.65 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 109.832 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.95 -40.06 91.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.187 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.49 -31.4 70.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.116 -0.99 . . . . 0.0 109.799 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -59.94 -37.57 79.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 109.234 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.17 76.11 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.368 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.06 -40.08 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.976 -1.078 . . . . 0.0 110.495 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.411 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -60.05 -37.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 O-C-N 121.733 -0.604 . . . . 0.0 110.071 -178.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.2 m -67.45 -39.94 85.39 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.284 -0.885 . . . . 0.0 108.983 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' CD ' ' Y' ' 111' ' ' LYS . 89.6 mtp -61.83 -50.01 74.0 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.463 0.649 . . . . 0.0 112.074 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.12 -33.41 58.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 120.707 -1.246 . . . . 0.0 110.115 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.94 -40.01 91.67 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.293 -0.879 . . . . 0.0 109.191 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.471 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.5 m -54.3 -38.69 66.2 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.93 87.44 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.698 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.23 -33.89 65.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.0 -38.59 83.06 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.015 -1.053 . . . . 0.0 108.182 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.06 -37.71 80.66 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -83.0 -39.87 20.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.359 -0.838 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -92.98 73.87 4.77 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.96 99.3 9.02 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -81.81 97.88 8.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.472 -0.767 . . . . 0.0 109.301 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 0.0 . -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 74.9 m80 50.9 42.22 27.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.739 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' X' ' 94' ' ' LEU . 3.5 mm? -62.93 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.113 -0.992 . . . . 0.0 109.695 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 95' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' X' ' 94' ' ' LEU . 1.4 mppt? 43.1 -163.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.334 -0.854 . . . . 0.0 109.511 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -81.6 147.03 29.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.034 -1.041 . . . . 0.0 109.518 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 97' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' X' ' 98' ' ' LYS . 53.2 tptt -60.11 -40.05 88.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.341 -0.849 . . . . 0.0 110.207 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' X' ' 97' ' ' LYS . 29.4 ttmt 39.99 -130.02 0.34 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.613 -0.679 . . . . 0.0 110.059 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.15 162.57 29.82 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -79.88 158.89 26.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -1.096 . . . . 0.0 108.622 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 9.5 p -52.87 -27.26 17.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.142 -0.974 . . . . 0.0 110.125 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.44 HG23 ' H ' ' X' ' 102' ' ' THR . 11.6 p -49.96 -25.53 3.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.986 -1.072 . . . . 0.0 109.254 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 69.9 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.006 -1.059 . . . . 0.0 108.226 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.547 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -59.94 -40.01 87.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 109.057 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.59 ' NE2' ' SD ' ' X' ' 109' ' ' MET . 65.6 t60 -57.59 -38.64 75.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.982 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 0.0 109.383 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -71.07 -31.09 67.4 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.695 0.76 . . . . 0.0 109.771 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.59 ' SD ' ' NE2' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.87 -24.7 66.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.047 -1.033 . . . . 0.0 111.539 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.0 p90 -41.42 -48.43 3.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.991 -1.068 . . . . 0.0 110.941 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.43 -25.55 38.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.868 -1.145 . . . . 0.0 109.837 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 91.9 m -59.97 -39.97 87.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.651 -0.656 . . . . 0.0 . 179.669 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.299 0.571 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 75.1 m80 50.83 42.42 27.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.212 -0.93 . . . . 0.0 109.712 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' Y' ' 94' ' ' LEU . 3.5 mm? -63.18 -80.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.121 -0.987 . . . . 0.0 109.558 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' Y' ' 94' ' ' LEU . 1.2 mppt? 43.17 -163.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.331 -0.855 . . . . 0.0 109.432 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 94.6 p -81.76 146.93 29.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.002 -1.061 . . . . 0.0 109.604 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' Y' ' 98' ' ' LYS . 53.7 tptt -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.304 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' Y' ' 97' ' ' LYS . 30.3 ttmt 40.03 -129.96 0.34 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.612 -0.68 . . . . 0.0 110.097 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.17 162.39 29.67 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -79.69 159.08 26.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.343 -1.092 . . . . 0.0 108.649 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' B' ' 49' ' ' GLU . 11.2 p -53.16 -27.36 20.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.991 . . . . 0.0 110.125 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.429 ' H ' HG23 ' Y' ' 102' ' ' THR . 10.1 p -49.69 -25.43 2.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.984 -1.072 . . . . 0.0 109.215 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 61.8 m -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 108.343 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.558 HH11 ' CG ' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.588 ' NE2' ' SD ' ' Y' ' 109' ' ' MET . 67.5 t60 -57.57 -38.83 75.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.239 -0.913 . . . . 0.0 108.995 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -59.91 -31.52 69.9 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.02 -40.26 88.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.041 -1.037 . . . . 0.0 109.399 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.85 -31.28 67.94 Favored 'General case' 0 N--CA 1.506 2.336 0 CA-C-O 121.715 0.769 . . . . 0.0 109.799 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.588 ' SD ' ' NE2' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.58 -24.82 65.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.03 -1.044 . . . . 0.0 111.549 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -41.43 -48.35 3.78 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.0 -1.063 . . . . 0.0 110.965 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.47 -25.54 38.81 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.972 -1.08 . . . . 0.0 109.752 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.653 -0.654 . . . . 0.0 . 179.689 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.346 0.593 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 3' ' ' LEU . 23.5 p 50.02 19.59 0.49 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.322 -0.862 . . . . 0.0 109.784 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.17 17.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.0 108.861 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.7 tp -59.73 -30.87 69.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CB ' ' CZ ' ' B' ' 43' ' ' PHE . 13.0 pt-20 -63.35 -39.17 93.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.162 -0.961 . . . . 0.0 109.413 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -64.25 -40.01 95.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.576 -0.702 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.06 -40.0 75.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 110.644 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.1 mtt -61.08 -40.05 92.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.138 -0.976 . . . . 0.0 109.384 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.83 -38.12 79.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.05 96.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.63 -0.669 . . . . 0.0 111.64 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.796 -1.19 . . . . 0.0 108.305 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.21 -40.09 84.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.87 -0.518 . . . . 0.0 111.094 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.29 -45.52 92.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.686 -1.259 . . . . 0.0 111.474 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -37.97 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.332 -0.855 . . . . 0.0 110.126 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 18' ' ' SER . 46.2 t80 -51.49 -41.56 61.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.737 -0.602 . . . . 0.0 109.641 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -78.82 -22.52 46.08 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.148 -0.97 . . . . 0.0 111.674 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.49 -40.82 75.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.919 -1.113 . . . . 0.0 111.514 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -120.83 -23.06 6.04 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.186 -0.946 . . . . 0.0 111.265 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 88.1 p -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.444 -1.41 . . . . 0.0 108.677 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -0.62 25.92 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.3 ttt-85 -61.12 -42.54 98.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -1.14 . . . . 0.0 109.468 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -113.96 165.08 12.97 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.626 0.727 . . . . 0.0 110.142 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.04 -28.99 13.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.8 m-20 -70.1 53.4 0.13 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.906 -1.349 . . . . 0.0 108.53 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' GLY . 12.7 tmtt? -62.25 -40.06 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.0 110.611 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.515 ' CD2' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -91.92 0.01 57.49 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.893 -1.129 . . . . 0.0 110.816 -178.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' NZ ' ' CD2' ' A' ' 25' ' ' HIS . 63.1 mttp -141.49 157.22 45.42 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.977 -1.077 . . . . 0.0 110.224 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' CG ' ' A' ' 31' ' ' GLU . 2.3 mm? -110.58 120.21 41.67 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.5 tttp -91.79 150.49 21.06 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 20.6 pttp -44.87 -23.37 0.13 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 108.507 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.475 ' N ' ' C ' ' A' ' 28' ' ' LYS . 63.3 m -77.92 -52.35 8.98 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' CG ' HD13 ' A' ' 27' ' ' LEU . 7.1 tp10 -64.46 -36.13 83.18 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.98 -40.34 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.12 -37.99 81.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.326 -0.859 . . . . 0.0 109.155 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.99 -39.52 86.01 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.97 -50.46 73.66 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.472 HG21 ' CD1' ' A' ' 47' ' ' ILE . 94.0 mt -75.12 -48.59 31.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.931 -1.106 . . . . 0.0 112.962 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 38.3 t-20 -80.97 -46.75 14.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.841 -1.162 . . . . 0.0 112.393 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -79.01 -39.96 32.69 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.336 -0.853 . . . . 0.0 113.201 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 40' ' ' LEU . 34.2 tt0 -89.26 -20.68 23.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.366 -1.459 . . . . 0.0 111.7 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 39' ' ' GLU . 17.1 mt -122.19 57.6 1.06 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.097 -1.002 . . . . 0.0 109.611 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.18 -39.97 88.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -127.75 -23.25 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.245 -0.909 . . . . 0.0 110.425 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' B' ' 4' ' ' GLU . 42.6 t80 -62.04 -39.94 94.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.895 -1.128 . . . . 0.0 109.007 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 tp -126.84 160.0 32.22 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.7 pt-20 -55.15 112.36 1.06 Allowed 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.715 -1.194 . . . . 0.0 109.183 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.0 141.83 58.64 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.464 -0.773 . . . . 0.0 109.113 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 77.7 mt -98.03 134.44 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.119 -0.988 . . . . 0.0 108.729 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HE3' HH12 ' X' ' 104' ' ' ARG . 27.3 mmtt -106.47 -25.06 12.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.202 -0.936 . . . . 0.0 110.26 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -112.15 147.96 35.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.904 0.859 . . . . 0.0 111.095 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -72.65 -16.6 61.71 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.3 pt-20 -66.05 -40.02 90.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.372 -0.83 . . . . 0.0 110.561 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.3 t -60.06 -40.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.02 -34.15 68.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.62 -38.71 91.92 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.013 0.911 . . . . 0.0 109.737 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.99 -39.75 75.74 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.36 -27.64 37.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.16 -38.54 88.33 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.1 -39.71 72.56 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.297 -1.502 . . . . 0.0 107.655 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -77.93 -45.69 23.33 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.655 -0.653 . . . . 0.0 111.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 28.2 mt -90.39 -15.81 30.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.839 -1.163 . . . . 0.0 111.223 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.1 t0 -81.07 61.59 4.7 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -59.98 -38.4 82.42 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 64.9 m-20 -75.6 -11.27 59.98 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.14 71.89 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 44.2 p-10 -106.98 8.32 30.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.389 -1.066 . . . . 0.0 110.004 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.5 6.96 82.27 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 40.5 mt-10 -138.63 125.97 21.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.762 -0.846 . . . . 0.0 108.729 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.7 p -94.87 128.36 41.58 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.81 160.04 33.28 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.452 -0.78 . . . . 0.0 110.073 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 4.9 t80 -47.58 -38.69 14.92 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.439 -0.788 . . . . 0.0 109.152 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -66.93 -38.59 86.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.722 -1.236 . . . . 0.0 109.606 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 39.8 mt-10 -66.81 -42.81 85.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 0.0 110.318 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -64.65 -35.85 82.35 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.038 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.421 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.4 mmm -59.95 -38.12 81.55 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.357 0.599 . . . . 0.0 110.424 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.731 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.99 -38.53 82.87 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.959 -1.088 . . . . 0.0 109.574 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.8 t -60.02 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.249 0.547 . . . . 0.0 109.992 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -61.36 -39.99 92.63 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.427 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 75.9 mtp -68.73 -43.47 75.86 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.63 -0.668 . . . . 0.0 111.862 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.429 ' HA ' ' HZ3' ' X' ' 111' ' ' LYS . 61.4 t -68.52 -34.74 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.899 -1.126 . . . . 0.0 110.755 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.8 m -61.33 -39.95 92.43 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.159 -0.963 . . . . 0.0 108.674 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.18 -39.9 67.04 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.16 84.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.293 -0.879 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -60.02 -37.84 80.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -58.46 -39.35 79.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.963 -1.086 . . . . 0.0 109.178 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -59.97 -39.52 85.94 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.248 -0.907 . . . . 0.0 108.955 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.13 -39.35 14.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.219 -0.926 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.41 68.36 4.14 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.63 99.53 11.35 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.19 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -65.72 -40.0 91.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.542 -0.723 . . . . 0.0 110.124 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.186 -0.946 . . . . 0.0 . -179.388 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 3' ' ' LEU . 25.8 p 49.96 19.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.0 109.738 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.16 16.94 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 0.0 108.731 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' B' ' 1' ' ' SER . 55.9 tp -59.35 -31.01 68.8 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . 13.3 pt-20 -63.43 -39.14 93.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 0.0 109.401 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.38 -39.95 94.87 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.576 -0.702 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 0.0 110.687 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.3 mtt -60.98 -40.0 91.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.083 -1.011 . . . . 0.0 109.404 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.15 -37.9 78.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.0 95.8 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.538 -0.727 . . . . 0.0 111.608 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.795 -1.191 . . . . 0.0 108.309 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.35 -39.98 83.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.825 -0.547 . . . . 0.0 111.031 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.25 -45.61 92.51 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.619 -1.301 . . . . 0.0 111.475 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -38.47 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.418 -0.801 . . . . 0.0 110.132 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.436 ' O ' ' OG ' ' B' ' 18' ' ' SER . 46.8 t80 -51.14 -41.58 60.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.697 -0.627 . . . . 0.0 109.664 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -78.81 -22.34 46.4 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.185 -0.947 . . . . 0.0 111.701 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.62 -40.9 76.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.942 -1.098 . . . . 0.0 111.48 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' B' ' 35' ' ' LEU . 33.7 p90 -120.77 -23.11 6.06 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.293 -0.879 . . . . 0.0 111.217 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 87.4 p -60.05 -40.0 87.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.386 -1.446 . . . . 0.0 108.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.43 -0.97 26.37 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' B' ' 20' ' ' ARG . 37.9 ttt-85 -60.96 -42.4 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -114.13 165.2 12.9 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.606 0.717 . . . . 0.0 110.147 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.98 -29.3 14.08 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.8 m-20 -70.0 53.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.937 -1.331 . . . . 0.0 108.588 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 22' ' ' GLY . 12.8 tmtt? -62.5 -40.04 95.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.321 -0.862 . . . . 0.0 110.577 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' NZ ' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -91.95 -0.02 57.48 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.933 -1.105 . . . . 0.0 110.805 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.536 ' NZ ' ' CD2' ' B' ' 25' ' ' HIS . 63.0 mttp -141.43 157.24 45.42 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 110.254 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.491 HD13 ' CG ' ' B' ' 31' ' ' GLU . 2.2 mm? -110.55 120.26 41.85 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' B' ' 30' ' ' SER . 64.3 tttp -91.67 150.51 21.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -44.9 -23.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.957 -1.09 . . . . 0.0 108.491 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' C ' ' B' ' 28' ' ' LYS . 57.8 m -77.83 -52.56 8.69 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.491 ' CG ' HD13 ' B' ' 27' ' ' LEU . 7.0 tp10 -64.51 -35.79 82.09 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.04 -40.54 89.72 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.02 -37.96 81.27 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 109.187 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.01 -39.58 86.26 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' B' ' 17' ' ' TYR . 1.6 tm? -60.0 -50.17 74.78 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 ' CD1' ' B' ' 47' ' ' ILE . 92.1 mt -75.14 -48.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.093 0 O-C-N 121.023 -1.048 . . . . 0.0 112.96 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 38.1 t-20 -80.71 -46.84 14.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.859 -1.151 . . . . 0.0 112.424 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -79.01 -39.98 32.66 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.361 -0.837 . . . . 0.0 113.219 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.479 ' O ' HD23 ' B' ' 40' ' ' LEU . 33.9 tt0 -89.24 -20.62 23.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.379 -1.451 . . . . 0.0 111.682 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 39' ' ' GLU . 16.4 mt -122.4 57.44 1.08 Allowed 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.126 -0.984 . . . . 0.0 109.672 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.6 p -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.215 -0.928 . . . . 0.0 110.249 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -127.58 -22.99 3.52 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.261 -0.9 . . . . 0.0 110.421 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 4' ' ' GLU . 42.2 t80 -62.23 -39.94 94.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 109.081 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -126.86 160.03 32.16 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 11.6 pt-20 -55.18 112.5 1.09 Allowed 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.736 -1.186 . . . . 0.0 109.191 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -65.1 141.67 58.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.536 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 81.2 mt -97.85 134.25 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 108.727 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -106.28 -25.35 11.99 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.222 -0.924 . . . . 0.0 110.225 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -112.15 148.0 34.93 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.926 0.869 . . . . 0.0 111.095 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -72.5 -16.68 61.79 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.2 pt-20 -65.96 -40.04 90.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.36 -0.837 . . . . 0.0 110.53 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 75.2 t -60.13 -39.96 82.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.2 t -66.86 -34.67 71.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.26 -38.67 91.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.997 0.903 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.0 -39.77 75.67 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 122.162 0.982 . . . . 0.0 108.355 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.1 -28.09 39.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.05 -38.51 88.56 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.27 -39.58 72.86 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.346 -1.471 . . . . 0.0 107.589 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -77.84 -45.66 23.7 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.676 -0.64 . . . . 0.0 111.658 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 27.8 mt -90.34 -16.1 29.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.793 -1.192 . . . . 0.0 111.271 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.3 t0 -80.84 61.6 4.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -59.88 -38.43 82.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.54 -11.21 59.98 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.95 31.14 71.46 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.9 p-10 -107.09 8.29 30.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.35 -1.088 . . . . 0.0 110.005 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 75.66 6.7 82.07 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 39.2 mt-10 -138.59 126.1 21.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.6 p -94.87 128.19 41.45 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.62 160.06 33.33 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.445 -0.784 . . . . 0.0 110.053 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.418 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 4.9 t80 -47.55 -38.76 14.84 Favored 'General case' 0 C--O 1.203 -1.366 0 O-C-N 121.407 -0.808 . . . . 0.0 109.135 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.89 -38.66 86.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.797 -1.189 . . . . 0.0 109.653 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 39.8 mt-10 -66.66 -42.74 86.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.925 -1.109 . . . . 0.0 110.281 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -64.49 -36.19 83.39 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.34 -0.85 . . . . 0.0 108.985 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.418 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 77.4 mmm -60.02 -37.92 81.18 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.25 0.547 . . . . 0.0 110.414 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.05 76.65 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.85 -1.157 . . . . 0.0 110.758 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.0 -38.51 82.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.977 -1.077 . . . . 0.0 109.445 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.45 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.7 t -60.0 -39.82 81.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.213 0.53 . . . . 0.0 110.056 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.0 p -61.29 -40.02 92.58 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 109.38 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 75.7 mtp -68.53 -43.75 76.06 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.724 -0.61 . . . . 0.0 111.876 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.442 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 62.3 t -68.35 -35.01 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.829 -1.17 . . . . 0.0 110.771 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -61.04 -40.03 92.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.157 -0.964 . . . . 0.0 108.67 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.36 -40.0 67.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.95 83.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 108.856 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.7 m -59.95 -37.74 80.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.474 -0.766 . . . . 0.0 109.952 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -58.49 -39.62 80.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.981 -1.074 . . . . 0.0 109.157 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.01 -39.21 85.03 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 108.956 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -88.18 -39.46 14.49 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.138 -0.977 . . . . 0.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.36 68.14 4.15 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.2 99.42 11.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.327 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -65.88 -40.0 91.21 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.557 -0.714 . . . . 0.0 110.087 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.198 -0.939 . . . . 0.0 . -179.447 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 51.05 42.18 28.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 109.239 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 143.36 56.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.951 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 135.27 55.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 0.0 109.908 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 16.0 m -155.78 160.87 40.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 56.92 72.47 0.51 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.318 -0.864 . . . . 0.0 109.237 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.99 -39.96 87.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.09 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.53 43.77 0.18 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.704 -1.236 . . . . 0.0 110.066 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.98 148.47 26.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.076 -1.249 . . . . 0.0 109.455 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.458 ' O ' ' N ' ' X' ' 103' ' ' SER . 58.2 m -60.01 -38.19 81.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 0.0 109.33 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -41.91 -24.9 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.494 -0.754 . . . . 0.0 110.051 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.458 ' N ' ' O ' ' X' ' 101' ' ' SER . 72.6 m -60.37 -26.95 67.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.226 -0.921 . . . . 0.0 109.051 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.405 HH12 ' HE3' ' A' ' 48' ' ' LYS . 12.4 ptm180 -60.06 -35.97 76.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 0.0 109.813 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.413 ' CG ' HG13 ' A' ' 52' ' ' VAL . 12.1 t-80 -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.826 -1.171 . . . . 0.0 108.626 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.53 -30.62 68.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.278 -0.889 . . . . 0.0 108.946 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -57.16 -40.0 76.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.69 -1.256 . . . . 0.0 107.648 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.676 ' HG ' ' HZ1' ' X' ' 111' ' ' LYS . 5.8 tt -70.02 -40.01 75.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.644 -0.66 . . . . 0.0 109.73 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -43.17 -24.51 0.08 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 110.197 -179.444 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -41.05 -48.09 3.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 110.057 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.676 ' HZ1' ' HG ' ' X' ' 108' ' ' LEU . 9.4 ptpt -75.25 -31.5 60.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.204 -0.935 . . . . 0.0 109.624 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 36.4 m -60.04 -39.85 87.36 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.598 -0.689 . . . . 0.0 . 179.416 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 50.83 42.01 27.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.331 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.72 143.31 57.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -64.83 135.23 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.833 . . . . 0.0 109.937 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -155.68 160.88 40.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.522 -0.736 . . . . 0.0 109.035 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 56.81 72.45 0.51 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.307 -0.871 . . . . 0.0 109.276 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -59.98 -40.04 87.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.207 -0.933 . . . . 0.0 109.042 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 43.86 0.18 Allowed Glycine 0 N--CA 1.491 2.315 0 C-N-CA 119.705 -1.235 . . . . 0.0 110.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -84.08 148.28 26.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -1.218 . . . . 0.0 109.431 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' Y' ' 103' ' ' SER . 55.6 m -60.03 -37.95 81.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 109.439 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -42.12 -24.91 0.06 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.501 -0.749 . . . . 0.0 110.01 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' Y' ' 101' ' ' SER . 71.3 m -60.24 -26.96 66.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 0.0 109.042 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -60.02 -36.19 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.353 -0.842 . . . . 0.0 109.786 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.92 -39.85 86.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.842 -1.161 . . . . 0.0 108.679 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -59.43 -30.83 68.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.908 . . . . 0.0 109.029 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -57.17 -39.97 76.38 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.672 ' HG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.9 tt -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.65 -0.656 . . . . 0.0 109.705 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -43.15 -24.62 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.967 -1.083 . . . . 0.0 110.268 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -41.03 -47.92 3.16 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.329 -0.857 . . . . 0.0 110.076 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.672 ' HZ1' ' HG ' ' Y' ' 108' ' ' LEU . 9.5 ptpt -75.35 -31.62 60.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 0.0 109.542 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -60.04 -39.35 85.61 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 . 179.249 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' N ' ' A' ' 2' ' ' GLU . 68.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 3' ' ' LEU . 52.8 p 50.74 10.38 0.06 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.178 -0.951 . . . . 0.0 109.7 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' N ' ' C ' ' A' ' 0' ' ' MET . 17.5 pt-20 -75.73 18.63 0.24 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.9 tt -60.04 -37.65 80.43 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.33 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.96 -37.92 80.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.134 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.01 -40.82 96.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.414 -0.804 . . . . 0.0 109.536 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.98 86.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 110.643 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 mtt -62.56 -39.99 95.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.65 -36.84 77.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-O 121.359 0.599 . . . . 0.0 109.413 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.02 87.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 111.556 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD23 ' CE ' ' A' ' 74' ' ' MET . 6.7 mp -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.718 -1.239 . . . . 0.0 108.605 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -69.04 -38.82 78.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 110.62 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -61.44 -49.54 76.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.769 -1.207 . . . . 0.0 111.434 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.88 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.86 -38.73 82.95 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.003 -1.061 . . . . 0.0 109.379 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -66.04 -30.21 70.69 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.296 -0.878 . . . . 0.0 110.084 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -59.96 -41.12 91.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 110.344 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -94.75 -21.54 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.871 -1.143 . . . . 0.0 111.656 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.2 p -57.13 -40.04 76.34 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.635 -1.291 . . . . 0.0 107.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.73 39.47 2.95 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.59 -64.68 0.94 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.733 -1.451 . . . . 0.0 109.901 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -114.66 -19.54 11.05 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.42 -0.8 . . . . 0.0 109.49 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.46 -14.62 1.83 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' LYS . 4.6 m-20 -76.01 58.36 1.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.824 -1.397 . . . . 0.0 108.541 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.35 -39.95 88.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.42 -0.8 . . . . 0.0 109.989 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -79.73 -20.87 45.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.345 -0.847 . . . . 0.0 111.323 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 mtmm -140.39 151.44 44.94 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.8 -1.187 . . . . 0.0 110.608 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 27' ' ' LEU . 4.5 mm? -106.95 134.58 49.89 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.333 -0.854 . . . . 0.0 108.702 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.8 tttp -101.46 145.81 28.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 108.743 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.4 pttp -41.8 -23.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.825 0.821 . . . . 0.0 109.337 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.5 m -76.7 -54.66 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 99.0 mt-10 -61.36 -35.99 78.96 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.99 -41.43 92.04 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.685 -0.635 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.09 -1.006 . . . . 0.0 109.917 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.6 mp0 -65.95 -36.93 84.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 108.966 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.73 -46.81 89.0 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.638 -1.289 . . . . 0.0 108.637 178.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.63 -51.46 28.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.85 -0.532 . . . . 0.0 111.972 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 1.135 ' ND2' ' H ' ' A' ' 47' ' ' ILE . 9.6 m120 -73.53 -48.66 31.38 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.286 -0.966 . . . . 0.0 112.451 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -76.04 -44.68 38.07 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 40' ' ' LEU . 6.5 tp10 -83.23 -15.41 50.47 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.338 -1.476 . . . . 0.0 111.033 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.3 mt -138.53 49.93 1.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.902 -1.124 . . . . 0.0 110.075 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.9 p -63.07 -44.96 94.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.051 -1.031 . . . . 0.0 109.425 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.11 -38.66 8.85 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.307 -0.871 . . . . 0.0 110.055 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.331 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.593 HD13 ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -125.23 134.97 52.13 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 178.248 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.593 ' N ' HD13 ' A' ' 44' ' ' LEU . 16.6 pt-20 -52.0 117.0 2.46 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.45 -1.406 . . . . 0.0 109.168 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -51.27 150.58 3.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 110.301 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.135 ' H ' ' ND2' ' A' ' 37' ' ' ASN . 6.0 mm -84.28 141.25 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -107.63 -17.6 14.05 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.287 -0.883 . . . . 0.0 110.736 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 52.6 tp10 -139.98 141.82 36.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.92 -1.113 . . . . 0.0 109.904 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.98 -27.96 67.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.713 -0.617 . . . . 0.0 110.997 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 19.2 pt-20 -59.99 -38.71 83.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.008 -1.057 . . . . 0.0 110.502 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.022 -1.048 . . . . 0.0 108.783 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 HG21 ' A' ' 47' ' ' ILE . 54.9 t -65.32 -38.58 82.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.497 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 64.7 t0 -65.3 -35.94 82.54 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 110.17 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.82 -32.72 59.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.83 67.09 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.528 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.06 -40.03 83.89 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 119.947 -1.721 . . . . 0.0 106.647 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -74.51 -42.87 58.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.785 -0.572 . . . . 0.0 111.305 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 39.0 mt -89.53 -16.79 29.93 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.721 -1.237 . . . . 0.0 110.54 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' MET . 58.1 t0 -81.42 62.3 5.26 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.89 -39.8 86.57 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.675 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -80.99 -7.29 59.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.238 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.48 85.09 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.0 p-10 -105.71 0.42 26.24 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.088 -1.242 . . . . 0.0 110.045 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.573 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.8 5.29 83.72 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.507 -1.837 . . . . 0.0 108.507 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 63.7 mt-10 -137.86 134.52 35.18 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.93 128.89 48.14 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -79.43 172.76 13.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 110.31 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' B' ' 82' ' ' THR . 13.2 t80 -49.02 -40.04 29.34 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 121.317 -0.865 . . . . 0.0 109.147 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.46 -53.04 48.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.907 -1.121 . . . . 0.0 110.47 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 88.8 mt-10 -61.14 -40.36 93.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.016 . . . . 0.0 111.005 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.86 -36.96 86.04 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.962 -1.086 . . . . 0.0 109.517 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.471 ' CE ' HD23 ' A' ' 10' ' ' LEU . 64.9 mmm -59.91 -38.79 83.33 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.667 -0.645 . . . . 0.0 110.828 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.01 -30.08 69.24 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.751 -1.218 . . . . 0.0 110.735 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 108.975 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.484 ' H ' HG23 ' A' ' 77' ' ' VAL . 2.0 t -60.25 -39.86 81.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 t -66.73 -39.91 88.14 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.554 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.8 mtp -70.04 -41.19 74.54 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.41 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.6 -33.15 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.497 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -40.05 87.95 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.592 HG23 ' CE2' ' B' ' 70' ' ' PHE . 6.5 m -56.87 -37.82 71.87 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.79 83.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.1 m -59.99 -32.87 71.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.553 -0.717 . . . . 0.0 109.484 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.28 -45.95 86.97 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.877 -1.14 . . . . 0.0 108.719 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.084 -1.01 . . . . 0.0 108.775 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.1 -52.49 14.07 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 110.117 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 8.2 t80 -93.91 68.3 3.83 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -82.28 97.78 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.361 -0.837 . . . . 0.0 109.286 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.512 ' ND1' ' N ' ' A' ' 91' ' ' GLU . 21.8 p80 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 109.429 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' ND1' ' A' ' 90' ' ' HIS . 81.3 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.738 -0.601 . . . . 0.0 . -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.473 ' C ' ' H ' ' B' ' 2' ' ' GLU . 68.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 3' ' ' LEU . 54.4 p 50.97 10.28 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.169 -0.957 . . . . 0.0 109.71 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 0' ' ' MET . 17.6 pt-20 -75.69 18.51 0.24 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.08 -37.26 79.41 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.46 -0.775 . . . . 0.0 109.4 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.09 -38.07 81.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.116 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -61.8 -40.68 96.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.05 85.9 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.325 -0.859 . . . . 0.0 110.522 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.8 mtt -62.51 -40.02 95.39 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 109.808 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -36.8 77.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.372 0.606 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.99 87.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.729 . . . . 0.0 111.423 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.465 HD23 ' CE ' ' B' ' 74' ' ' MET . 6.5 mp -60.0 -39.99 87.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.707 -1.246 . . . . 0.0 108.658 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.16 -38.8 78.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.667 -0.646 . . . . 0.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -61.57 -49.1 78.0 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.795 -1.191 . . . . 0.0 111.362 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -39.77 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.255 -0.903 . . . . 0.0 110.209 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.92 -38.63 82.88 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.022 -1.048 . . . . 0.0 109.363 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.01 -30.23 70.74 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -59.99 -41.02 91.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.306 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -94.92 -21.42 18.65 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.909 -1.119 . . . . 0.0 111.638 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -57.08 -40.04 76.17 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.664 -1.273 . . . . 0.0 107.815 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.92 39.63 2.97 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -64.46 0.99 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.682 -1.481 . . . . 0.0 109.921 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -114.43 -20.17 10.9 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.457 -0.777 . . . . 0.0 109.573 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.73 -14.43 1.77 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 26' ' ' LYS . 4.5 m-20 -76.07 58.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.889 -1.359 . . . . 0.0 108.53 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -60.22 -39.99 88.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -79.63 -20.84 45.8 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.448 -0.783 . . . . 0.0 111.325 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.7 mtmm -140.89 151.56 44.37 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.815 -1.178 . . . . 0.0 110.665 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.73 134.69 49.5 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 108.773 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 30' ' ' SER . 56.9 tttp -101.34 145.93 28.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 108.837 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 18.1 pttp -42.0 -23.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.308 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.499 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -77.21 -54.73 6.13 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 98.2 mt-10 -60.98 -36.12 78.6 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.03 -41.43 92.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.677 -0.639 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.019 -1.051 . . . . 0.0 109.955 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.6 mp0 -65.94 -36.77 84.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.149 -0.969 . . . . 0.0 109.042 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.705 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -60.8 -47.05 88.11 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.652 -1.28 . . . . 0.0 108.606 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.24 -51.51 29.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.758 -0.589 . . . . 0.0 112.011 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 1.146 ' ND2' ' H ' ' B' ' 47' ' ' ILE . 9.5 m120 -73.36 -48.98 29.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.139 -0.976 . . . . 0.0 112.436 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -75.71 -44.98 39.31 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.858 ' O ' HD23 ' B' ' 40' ' ' LEU . 6.1 tp10 -83.27 -14.83 52.31 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.324 -1.485 . . . . 0.0 111.012 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.858 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.6 mt -138.88 49.53 1.87 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.951 -1.093 . . . . 0.0 110.059 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -63.02 -44.95 94.55 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 109.425 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.05 -38.49 8.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.402 -0.812 . . . . 0.0 110.117 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.278 -0.889 . . . . 0.0 109.288 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.574 HD13 ' N ' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -125.77 135.18 51.74 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.574 ' N ' HD13 ' B' ' 44' ' ' LEU . 16.7 pt-20 -51.87 116.9 2.38 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.208 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.06 150.39 3.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.555 -0.716 . . . . 0.0 110.184 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 1.146 ' H ' ' ND2' ' B' ' 37' ' ' ASN . 5.1 mm -84.07 141.32 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -107.47 -17.82 14.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.338 -0.851 . . . . 0.0 110.767 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 52.5 tp10 -139.94 141.74 36.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.961 -1.087 . . . . 0.0 109.929 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -60.07 -27.65 67.14 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.722 -0.611 . . . . 0.0 111.029 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.453 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 19.0 pt-20 -60.08 -38.89 84.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.012 -1.055 . . . . 0.0 110.344 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.05 -39.93 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.04 -1.037 . . . . 0.0 108.75 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.431 HG23 HG21 ' B' ' 47' ' ' ILE . 56.8 t -65.26 -38.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.664 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 63.9 t0 -65.25 -36.32 83.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.374 -0.829 . . . . 0.0 110.2 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.24 -40.04 86.25 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.95 -32.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.632 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.95 67.24 Favored 'General case' 0 C--O 1.197 -1.679 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.503 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.92 -39.97 83.13 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.971 -1.706 . . . . 0.0 106.721 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -74.6 -42.98 57.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.743 -0.598 . . . . 0.0 111.219 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 39.1 mt -89.52 -16.61 30.34 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.78 -1.2 . . . . 0.0 110.487 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.632 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.3 t0 -81.53 62.31 5.35 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.0 -39.72 86.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.625 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -80.97 -7.35 59.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.252 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.67 37.33 84.55 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.322 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 44.9 p-10 -105.62 0.57 26.56 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.138 -1.213 . . . . 0.0 110.124 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.55 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.71 5.07 83.0 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -137.45 134.49 35.88 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -102.23 128.59 48.68 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -79.58 172.45 13.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.147 -0.971 . . . . 0.0 110.345 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' A' ' 82' ' ' THR . 13.4 t80 -48.63 -39.97 26.03 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.448 -0.783 . . . . 0.0 109.226 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.92 -52.74 47.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.834 -1.166 . . . . 0.0 110.439 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.0 mt-10 -61.36 -40.19 93.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 111.003 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.9 -36.89 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.001 -1.062 . . . . 0.0 109.496 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.465 ' CE ' HD23 ' B' ' 10' ' ' LEU . 65.3 mmm -60.02 -38.68 83.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.703 -0.623 . . . . 0.0 110.818 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.1 69.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.758 -1.213 . . . . 0.0 110.77 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.042 -1.036 . . . . 0.0 109.002 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.9 t -60.25 -39.64 81.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -66.88 -40.01 87.66 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.579 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 37.6 mtp -69.95 -40.92 75.15 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 111.428 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.8 -33.33 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.922 -1.111 . . . . 0.0 109.594 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.01 87.56 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.592 HG23 ' CE2' ' A' ' 70' ' ' PHE . 5.9 m -56.77 -37.6 71.31 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.12 84.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.9 m -59.99 -32.68 71.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.537 -0.727 . . . . 0.0 109.43 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -58.33 -46.09 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.886 -1.134 . . . . 0.0 108.756 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.26 -40.03 92.55 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.02 . . . . 0.0 108.666 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -73.05 -52.7 13.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.598 -0.689 . . . . 0.0 110.098 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 7.7 t80 -93.84 68.35 3.87 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -82.2 97.76 8.4 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.421 -0.8 . . . . 0.0 109.33 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.516 ' ND1' ' N ' ' B' ' 91' ' ' GLU . 21.8 p80 -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.259 -0.9 . . . . 0.0 109.417 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.516 ' N ' ' ND1' ' B' ' 90' ' ' HIS . 85.1 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.748 -0.595 . . . . 0.0 . -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -70.02 -20.91 63.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.365 -0.834 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.522 ' N ' HD12 ' X' ' 94' ' ' LEU . 10.4 mp -76.02 156.85 33.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.434 -0.791 . . . . 0.0 109.442 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.7 165.43 28.09 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -59.99 135.45 57.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.6 -59.2 3.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.85 . . . . 0.0 109.211 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -178.38 -22.17 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.87 174.19 39.52 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -135.93 140.74 44.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.196 -1.179 . . . . 0.0 110.127 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 53.8 m -70.04 -24.9 63.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.468 -0.77 . . . . 0.0 109.249 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.554 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 26.4 m -49.17 -27.47 3.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 108.906 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 59.2 m -59.28 -32.75 70.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.435 -0.791 . . . . 0.0 109.403 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.619 ' NH2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.14 -26.99 7.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.015 -1.053 . . . . 0.0 109.381 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 3.5 p-80 -60.0 -39.98 87.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.71 -1.244 . . . . 0.0 108.067 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.615 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 6.3 tmtm? -59.99 -31.52 69.99 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 109.121 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.05 -24.79 47.62 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.252 -0.905 . . . . 0.0 109.554 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.476 ' O ' ' N ' ' X' ' 112' ' ' THR . 29.9 mmt -59.55 -24.52 63.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.684 -1.26 . . . . 0.0 109.496 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.1 p90 -43.78 -43.99 6.46 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.953 -1.092 . . . . 0.0 109.259 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.8 pttt -68.49 -33.89 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.442 -0.787 . . . . 0.0 108.956 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.476 ' N ' ' O ' ' X' ' 109' ' ' MET . 86.1 m -60.64 -40.03 90.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.584 -0.698 . . . . 0.0 109.357 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 . 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -69.99 -21.1 63.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 109.152 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.524 HD12 ' N ' ' Y' ' 94' ' ' LEU . 10.3 mp -75.96 156.95 33.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.5 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.74 165.36 28.29 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -59.99 135.68 57.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.208 -0.932 . . . . 0.0 109.805 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.75 -58.99 3.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.088 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -178.69 -22.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.83 174.19 39.58 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.02 140.86 44.19 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.17 -1.194 . . . . 0.0 109.981 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 56.6 m -70.0 -24.84 63.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.517 -0.739 . . . . 0.0 109.321 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 29.3 m -49.11 -27.75 3.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.795 . . . . 0.0 108.904 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -58.95 -32.86 69.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.564 -0.71 . . . . 0.0 109.502 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.67 ' NH2' HD13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -51.33 -26.83 8.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.041 -1.037 . . . . 0.0 109.395 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 3.7 p-80 -59.95 -39.98 87.41 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 118.736 -1.186 . . . . 0.0 107.955 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 6.4 tmtm? -59.99 -31.6 70.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.084 -1.01 . . . . 0.0 109.212 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.04 -24.77 47.66 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.468 ' O ' ' N ' ' Y' ' 112' ' ' THR . 29.3 mmt -59.52 -24.44 63.66 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.769 -1.207 . . . . 0.0 109.504 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -44.0 -44.08 7.07 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.871 -1.143 . . . . 0.0 109.246 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.7 pttt -68.24 -34.45 76.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.384 -0.822 . . . . 0.0 108.877 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.468 ' N ' ' O ' ' Y' ' 109' ' ' MET . 87.5 m -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.52 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 0.0 . 179.86 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t 59.53 25.02 13.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.801 . . . . 0.0 109.419 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.44 8.94 2.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.032 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 3' ' ' LEU . 3.4 tm? -45.82 -24.68 0.41 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.586 -0.696 . . . . 0.0 109.319 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.32 -39.45 89.28 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.037 -1.04 . . . . 0.0 110.668 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -80.36 -29.95 37.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.985 -1.072 . . . . 0.0 109.583 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.39 -42.06 72.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.319 -0.863 . . . . 0.0 111.832 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.505 ' SD ' HD11 ' A' ' 3' ' ' LEU . 39.5 mtt -72.45 -36.14 68.46 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.719 -1.238 . . . . 0.0 109.767 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 -39.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.741 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.33 69.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.282 -0.886 . . . . 0.0 111.023 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.95 -40.1 87.84 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.89 -39.71 82.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.484 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.12 -41.41 92.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.822 -1.174 . . . . 0.0 111.428 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -40.32 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.165 -0.96 . . . . 0.0 110.346 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.25 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.36 -36.21 79.59 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.525 -0.735 . . . . 0.0 111.086 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -60.03 -40.4 89.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.698 -1.252 . . . . 0.0 110.834 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 35' ' ' LEU . 47.8 m-85 -86.12 -33.49 20.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.759 -1.213 . . . . 0.0 112.073 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 p -60.19 -40.02 88.56 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.747 -1.22 . . . . 0.0 109.426 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.9 5.69 78.04 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.98 -47.42 85.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.976 -1.308 . . . . 0.0 110.544 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -99.68 -53.7 3.12 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.075 -1.015 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.37 -22.93 0.14 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.56 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.5 m-20 -82.49 78.35 9.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.782 -1.422 . . . . 0.0 109.156 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.91 -39.91 94.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -79.95 -10.78 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.891 . . . . 0.0 111.12 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.4 ttmm -141.54 139.55 33.24 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.864 -1.147 . . . . 0.0 110.206 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -108.46 128.74 55.06 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 30' ' ' SER . 49.6 mtmt -97.58 157.54 15.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.762 -1.211 . . . . 0.0 109.683 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -50.02 -23.36 2.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 70.3 m -75.69 -49.52 18.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.46 0.648 . . . . 0.0 109.304 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -66.41 -33.07 74.89 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.88 -41.47 96.08 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.76 -34.59 75.84 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.994 -1.066 . . . . 0.0 109.33 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 8.6 tt -65.25 -49.29 70.19 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.831 -1.168 . . . . 0.0 109.188 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 40' ' ' LEU . 78.4 mt -70.47 -47.39 65.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.396 -0.815 . . . . 0.0 111.169 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -68.98 -38.48 79.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.765 -1.209 . . . . 0.0 111.766 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -98.83 -32.59 11.27 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.209 -0.932 . . . . 0.0 113.291 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tm-20 -79.62 -14.24 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.104 -1.623 . . . . 0.0 108.547 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 29.8 mt -114.1 62.11 0.66 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 88.3 p -60.05 -39.83 87.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.128 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -137.5 3.56 2.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.145 -0.972 . . . . 0.0 110.294 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -49.51 75.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 109.034 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.68 177.19 11.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.068 -1.02 . . . . 0.0 110.857 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' GLU . 54.9 tp10 -53.99 99.95 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.705 0.764 . . . . 0.0 109.5 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' A' ' 41' ' ' SER . 53.5 mp0 -50.42 179.53 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 122.028 0.918 . . . . 0.0 110.114 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -102.65 133.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -106.99 -28.73 9.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.26 -0.9 . . . . 0.0 108.891 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -118.58 143.15 46.98 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.15 -15.81 63.01 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.04 -39.72 86.91 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.944 -1.097 . . . . 0.0 109.143 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.3 t -59.92 -38.09 74.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.382 -0.824 . . . . 0.0 108.864 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.79 -34.54 65.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.727 -0.608 . . . . 0.0 110.494 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 47.2 t0 -70.09 -34.64 73.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.015 -1.053 . . . . 0.0 109.634 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -68.74 -39.97 80.06 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.33 -34.74 72.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.587 ' O ' ' N ' ' A' ' 61' ' ' ASP . 73.0 mmm -70.01 -28.93 65.9 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.615 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.67 -37.05 72.76 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.7 m -78.31 -47.12 18.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.052 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -88.83 -10.86 46.54 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.82 -1.175 . . . . 0.0 110.821 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 57' ' ' MET . 63.0 t0 -80.8 63.32 5.16 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.23 -40.0 80.54 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 p-10 -80.72 -6.6 58.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.137 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 36.53 91.23 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 120.097 -1.049 . . . . 0.0 110.575 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.8 p-10 -106.45 -1.06 23.58 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.254 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.545 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 79.44 3.93 88.92 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.6 mt-10 -138.03 140.02 39.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.28 130.65 56.19 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.986 -1.071 . . . . 0.0 108.343 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -82.91 165.96 19.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 0.0 110.433 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE2' HG23 ' B' ' 82' ' ' THR . 23.6 t80 -46.23 -29.16 1.49 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.486 -0.759 . . . . 0.0 109.404 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -71.66 -48.85 44.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.224 -0.923 . . . . 0.0 109.142 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.66 -39.92 80.41 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.55 -27.41 65.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.327 -0.858 . . . . 0.0 108.958 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.453 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.03 -39.81 87.19 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.06 71.71 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.976 -1.077 . . . . 0.0 110.054 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.8 -40.08 91.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.34 -36.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.484 -0.76 . . . . 0.0 110.01 -178.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 74' ' ' MET . 3.5 m -68.94 -40.04 79.22 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.57 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.415 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 90.1 mtp -61.67 -50.0 74.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 110.713 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -67.95 -31.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.63 -1.294 . . . . 0.0 109.968 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -60.0 -40.04 87.84 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.4 -0.812 . . . . 0.0 108.992 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 HG23 ' CE2' ' B' ' 70' ' ' PHE . 25.2 m -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.95 89.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 108.693 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.45 ' SG ' ' SD ' ' B' ' 7' ' ' MET . 5.6 m -60.09 -32.74 71.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.83 -0.544 . . . . 0.0 109.807 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.412 ' NE2' ' OE2' ' A' ' 89' ' ' GLU . 12.9 t-160 -59.9 -39.87 86.85 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -39.92 87.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -77.23 -22.37 52.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 110.096 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 43.0 t80 -85.45 -10.0 56.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.404 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' OE2' ' NE2' ' A' ' 85' ' ' HIS . 62.8 mm-40 -87.22 95.87 10.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 108.703 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -60.15 -39.88 87.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.912 . . . . 0.0 . 179.199 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 t 59.59 24.69 13.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.412 -0.805 . . . . 0.0 109.628 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.2 9.1 2.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.023 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.773 HD13 ' O ' ' B' ' 3' ' ' LEU . 3.4 tm? -45.97 -24.89 0.47 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.601 -0.687 . . . . 0.0 109.289 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.14 -39.49 89.9 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.066 -1.021 . . . . 0.0 110.711 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.28 -30.2 38.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.949 -1.094 . . . . 0.0 109.632 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.05 73.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.0 111.867 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' HD11 ' B' ' 3' ' ' LEU . 39.6 mtt -72.6 -35.72 67.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.704 -1.248 . . . . 0.0 109.702 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.58 -40.08 86.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.78 69.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.301 -0.874 . . . . 0.0 110.952 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.56 -40.46 87.36 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -67.49 -39.9 83.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.15 -41.38 92.64 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.841 -1.162 . . . . 0.0 111.41 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -40.23 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.983 . . . . 0.0 110.445 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.97 -40.01 87.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.304 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.59 -35.91 79.19 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.412 -0.805 . . . . 0.0 111.166 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -60.02 -40.5 89.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.702 -1.249 . . . . 0.0 110.784 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' B' ' 35' ' ' LEU . 48.5 m-85 -86.08 -33.52 20.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.843 -1.161 . . . . 0.0 112.048 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -60.0 -40.1 88.05 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.755 -1.216 . . . . 0.0 109.536 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 5.54 78.52 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.93 -47.61 85.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.866 -1.373 . . . . 0.0 110.442 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -99.47 -53.91 3.08 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.53 -22.5 0.13 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.5 78.16 9.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.837 -1.39 . . . . 0.0 109.238 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.94 -39.95 94.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.481 -0.762 . . . . 0.0 109.982 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -79.86 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.903 . . . . 0.0 111.155 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -141.75 139.47 32.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.795 -1.191 . . . . 0.0 110.088 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -108.54 128.76 55.1 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' B' ' 30' ' ' SER . 50.4 mtmt -97.46 157.44 16.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.707 -1.246 . . . . 0.0 109.749 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -50.0 -23.5 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.404 ' N ' ' C ' ' B' ' 28' ' ' LYS . 56.4 m -75.97 -49.05 18.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.34 -33.38 75.61 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.73 -41.41 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.816 -0.553 . . . . 0.0 109.74 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -60.13 -39.8 87.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.203 -0.936 . . . . 0.0 110.316 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.06 -34.24 74.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.977 -1.077 . . . . 0.0 109.316 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 8.7 tt -65.44 -49.44 69.16 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.739 -1.225 . . . . 0.0 109.1 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.23 -47.65 65.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.436 -0.79 . . . . 0.0 111.211 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -68.48 -38.9 81.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.799 -1.188 . . . . 0.0 111.78 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -98.7 -32.69 11.27 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.191 -0.943 . . . . 0.0 113.31 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tm-20 -79.58 -14.07 59.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.108 -1.62 . . . . 0.0 108.577 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.42 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 29.7 mt -114.35 62.0 0.67 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 87.9 p -59.95 -39.74 86.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.156 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -137.72 3.32 2.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.14 -0.975 . . . . 0.0 110.214 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -49.86 74.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.851 -1.155 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.41 177.3 11.52 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.118 -0.989 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 46' ' ' GLU . 54.9 tp10 -53.93 99.53 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.682 0.753 . . . . 0.0 109.541 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 41' ' ' SER . 54.3 mp0 -50.16 179.47 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.983 0.897 . . . . 0.0 110.253 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -102.48 133.68 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' HG3' HH12 ' Y' ' 104' ' ' ARG . 48.2 mmtt -106.97 -28.51 10.01 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.266 -0.896 . . . . 0.0 108.971 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -118.59 142.69 47.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.624 -0.672 . . . . 0.0 109.737 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.82 -15.88 63.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 14.8 pt-20 -59.9 -39.79 86.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.969 -1.082 . . . . 0.0 109.313 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.407 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 85.2 t -59.96 -37.8 73.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.04 -34.32 63.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.673 -0.642 . . . . 0.0 110.437 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 47.2 t0 -70.16 -34.88 73.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.056 -1.028 . . . . 0.0 109.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -68.7 -40.04 80.22 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 t -66.18 -34.82 72.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 61' ' ' ASP . 72.8 mmm -69.95 -28.79 65.85 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.71 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.86 -36.96 73.06 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -78.39 -47.28 17.96 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.026 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 60' ' ' LEU . 3.8 mm? -88.7 -10.74 47.36 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.805 -1.185 . . . . 0.0 110.821 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 57' ' ' MET . 63.0 t0 -80.83 63.32 5.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.12 -40.09 80.35 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.282 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 42.5 p-10 -80.66 -6.49 58.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.993 -1.067 . . . . 0.0 109.196 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.53 91.43 Favored Glycine 0 N--CA 1.496 2.682 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.531 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.3 p-10 -106.46 -1.04 23.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.078 -1.249 . . . . 0.0 110.224 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.508 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.46 3.74 88.86 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.2 mt-10 -137.69 139.99 40.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.18 130.46 56.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.986 -1.071 . . . . 0.0 108.374 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -82.77 166.05 19.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.31 -0.868 . . . . 0.0 110.434 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 82' ' ' THR . 23.7 t80 -46.26 -29.14 1.49 Allowed 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.503 -0.748 . . . . 0.0 109.501 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.55 -48.68 46.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.144 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.199 -0.938 . . . . 0.0 109.606 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -69.81 -27.16 64.66 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.286 -0.884 . . . . 0.0 108.966 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.446 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.02 -40.01 87.81 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.97 71.45 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.879 -1.138 . . . . 0.0 110.078 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.66 -40.08 90.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.042 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -36.53 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.433 -0.792 . . . . 0.0 109.903 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 74' ' ' MET . 3.6 m -69.17 -40.01 78.38 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.619 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.57 -49.84 75.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 110.804 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.25 -31.06 49.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.727 -1.233 . . . . 0.0 109.961 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.3 m -60.08 -40.08 88.29 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.824 0.821 . . . . 0.0 108.911 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.474 HG23 ' CE2' ' A' ' 70' ' ' PHE . 26.5 m -60.12 -39.9 87.83 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.03 89.21 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.419 ' SG ' ' SD ' ' A' ' 7' ' ' MET . 5.7 m -59.99 -32.78 71.17 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.835 -0.541 . . . . 0.0 109.882 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.424 ' NE2' ' OE2' ' B' ' 89' ' ' GLU . 13.3 t-160 -59.83 -40.13 87.42 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -59.95 -39.82 86.88 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -77.32 -22.5 51.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.506 -0.746 . . . . 0.0 110.026 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 42.7 t80 -85.41 -10.05 56.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.965 -1.085 . . . . 0.0 109.364 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.424 ' OE2' ' NE2' ' B' ' 85' ' ' HIS . 62.2 mm-40 -87.15 95.92 10.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 108.722 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -60.02 -39.97 87.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.788 . . . . 0.0 109.29 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.228 -0.92 . . . . 0.0 . 179.345 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -60.5 -40.0 89.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.88 . . . . 0.0 109.833 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.21 140.0 58.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 108.783 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -69.53 135.77 50.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -60.58 -39.96 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 108.918 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.9 128.48 56.16 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -68.16 140.04 56.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -0.935 . . . . 0.0 109.144 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.7 -179.56 52.13 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -90.58 171.43 9.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.397 -1.061 . . . . 0.0 109.523 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.478 ' O ' ' N ' ' X' ' 103' ' ' SER . 68.4 m -51.3 -29.21 14.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.453 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.536 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.8 t -42.4 -24.64 0.06 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.474 -0.766 . . . . 0.0 109.077 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.478 ' N ' ' O ' ' X' ' 101' ' ' SER . 57.8 m -45.34 -24.71 0.31 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.723 -0.611 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -55.6 -28.51 55.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.194 -0.941 . . . . 0.0 109.513 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 17.8 p-80 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.581 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.8 ttpt -60.02 -29.57 68.59 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.2 -39.9 80.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.434 -0.791 . . . . 0.0 108.971 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.465 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 7.1 tp -79.67 -24.74 41.57 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.033 0.921 . . . . 0.0 109.661 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' X' ' 110' ' ' PHE . 31.3 mmt -60.7 -24.8 65.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.622 -1.298 . . . . 0.0 111.062 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' X' ' 109' ' ' MET . 2.5 p90 -45.28 -39.01 6.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.664 -1.273 . . . . 0.0 110.505 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.465 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 13.4 mtmt -69.9 -40.01 75.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.658 -1.277 . . . . 0.0 108.498 177.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -27.9 66.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.568 -0.707 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.239 0.543 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -60.41 -40.04 89.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.306 -0.871 . . . . 0.0 109.826 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.37 139.99 58.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.074 -1.016 . . . . 0.0 108.776 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -69.49 135.94 50.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.121 -0.987 . . . . 0.0 109.12 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 15.4 t -60.86 -39.98 91.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.855 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.56 128.64 56.09 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.42 140.03 55.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.93 . . . . 0.0 109.065 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.02 -179.62 51.87 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.19 171.58 9.41 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.41 -1.053 . . . . 0.0 109.683 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.488 ' O ' ' N ' ' Y' ' 103' ' ' SER . 70.8 m -51.45 -29.34 15.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.387 -0.821 . . . . 0.0 109.4 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.546 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.7 t -42.02 -24.59 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.655 0.74 . . . . 0.0 109.122 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.488 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.4 m -45.65 -24.74 0.38 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.663 -0.648 . . . . 0.0 109.397 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.441 HH12 ' HG3' ' B' ' 48' ' ' LYS . 10.3 ptp180 -55.55 -28.44 54.91 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.201 -0.937 . . . . 0.0 109.435 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.578 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 18.3 p-80 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.578 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.9 ttpt -59.98 -29.66 68.59 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -58.14 -39.91 79.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.338 -0.851 . . . . 0.0 109.003 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.438 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 7.1 tp -79.71 -24.63 41.54 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.972 0.891 . . . . 0.0 109.606 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.408 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 32.0 mmt -60.77 -24.81 66.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.625 -1.297 . . . . 0.0 110.992 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' Y' ' 109' ' ' MET . 2.4 p90 -45.24 -38.83 5.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 110.567 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.438 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 13.5 mtmt -70.02 -39.75 75.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.69 -1.256 . . . . 0.0 108.504 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -28.2 67.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.675 -0.641 . . . . 0.0 . 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.6 m 60.04 24.84 14.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.49 21.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.399 -0.813 . . . . 0.0 109.33 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.0 tp -59.96 -34.09 72.81 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.09 -40.03 88.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.386 -0.821 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.5 mppt? -69.93 -38.66 76.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.102 -0.999 . . . . 0.0 109.881 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -39.97 83.68 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.217 -0.927 . . . . 0.0 110.976 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.012 -1.055 . . . . 0.0 109.655 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.47 -39.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.622 0.725 . . . . 0.0 109.239 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.98 93.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.693 -0.629 . . . . 0.0 111.648 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.729 -1.232 . . . . 0.0 108.209 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.752 -0.592 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -43.93 97.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.803 -1.186 . . . . 0.0 111.739 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -40.06 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.951 -1.093 . . . . 0.0 110.62 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 27' ' ' LEU . 64.9 t80 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 109.454 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -77.61 -22.21 51.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.92 -1.113 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -55.04 -45.0 75.17 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.102 -0.999 . . . . 0.0 110.569 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CE1' HD23 ' A' ' 35' ' ' LEU . 27.0 p90 -116.18 -26.01 7.38 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.138 -0.976 . . . . 0.0 111.567 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 84.2 p -59.99 -39.95 87.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.656 -1.278 . . . . 0.0 109.322 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.73 -3.5 50.01 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 35.1 ttt-85 -59.98 -44.03 94.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.34 -1.094 . . . . 0.0 109.586 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.4 mm-40 -114.31 160.01 19.56 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.555 0.693 . . . . 0.0 110.06 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.37 -14.72 0.06 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.0 m-20 -80.03 50.65 1.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.785 -1.421 . . . . 0.0 109.714 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -70.62 -40.01 73.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.978 -1.076 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -81.91 -14.24 56.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.238 -0.914 . . . . 0.0 111.066 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.4 pttt -138.74 159.9 40.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.065 -1.022 . . . . 0.0 108.951 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 14' ' ' PHE . 7.5 tp -113.55 120.49 41.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 0.0 109.048 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -94.74 147.8 22.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.824 -1.173 . . . . 0.0 108.703 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.1 pttm -41.49 -23.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.457 -0.777 . . . . 0.0 109.238 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.88 -49.5 37.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.457 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.99 -36.88 83.15 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.119 -0.988 . . . . 0.0 108.911 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.05 -39.03 84.58 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 36.9 tp10 -66.64 -39.96 88.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.405 -0.809 . . . . 0.0 110.261 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.602 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.1 tm? -60.1 -49.52 77.34 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.284 1.04 . . . . 0.0 108.525 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mt -77.53 -48.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.259 -0.901 . . . . 0.0 112.813 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.7 -41.18 27.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.916 -1.115 . . . . 0.0 113.285 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.566 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 55.1 t30 -97.06 -33.99 11.33 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.846 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.9 tp10 -88.28 -14.63 37.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.272 -1.518 . . . . 0.0 110.476 -177.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 39' ' ' GLU . 11.0 mt -143.48 51.27 1.36 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.959 -1.088 . . . . 0.0 109.698 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -60.94 -47.76 84.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.042 -1.036 . . . . 0.0 110.404 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -96.86 -37.19 10.34 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.916 -1.115 . . . . 0.0 110.933 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.17 -38.26 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.155 -0.965 . . . . 0.0 110.264 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -125.23 157.78 35.71 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -54.17 106.91 0.22 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.52 144.71 46.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.454 -0.778 . . . . 0.0 109.567 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -91.29 137.96 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -105.03 -19.51 13.81 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 77.9 tt0 -140.04 140.7 36.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.184 -0.948 . . . . 0.0 109.911 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.23 -20.55 66.11 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.306 -0.871 . . . . 0.0 110.788 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 17.3 pt-20 -60.04 -37.6 80.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.099 . . . . 0.0 109.286 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.95 -40.01 81.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 59.3 t0 -64.84 -38.25 90.36 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.085 0.945 . . . . 0.0 109.565 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HZ1' ' CD2' ' X' ' 105' ' ' HIS . 33.4 ttpt -68.56 -40.0 80.81 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.22 -27.65 41.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -69.55 -32.63 71.55 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.124 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.8 -37.65 68.9 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.12 -1.613 . . . . 0.0 106.857 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -82.15 -44.15 16.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.764 -0.585 . . . . 0.0 111.81 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 53.2 mt -88.71 -19.02 26.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.855 -1.153 . . . . 0.0 110.771 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.8 t0 -80.9 62.95 5.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 87.6 mt-10 -58.77 -39.16 80.19 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.51 -16.33 61.29 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.2 33.43 87.22 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.0 p-10 -108.2 6.91 27.14 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -1.204 . . . . 0.0 110.247 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.56 10.03 86.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.9 mt-10 -145.64 128.47 16.34 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 135.48 39.31 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.763 -1.211 . . . . 0.0 108.537 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -69.04 160.67 30.55 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.81 -39.97 19.74 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.96 -46.39 89.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.658 -0.651 . . . . 0.0 110.866 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 38.0 mt-10 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.98 -1.075 . . . . 0.0 110.545 -177.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -67.52 -34.42 77.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.067 -1.021 . . . . 0.0 109.458 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.0 mmm -59.95 -35.72 75.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.242 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -32.11 70.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.801 -1.187 . . . . 0.0 110.648 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.756 -1.215 . . . . 0.0 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.446 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -61.38 -34.87 63.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.479 0.656 . . . . 0.0 109.458 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -60.06 -39.98 87.88 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.465 -0.772 . . . . 0.0 110.368 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.5 mtm -79.09 -44.45 22.08 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.604 -1.238 . . . . 0.0 111.885 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 20.7 t -60.03 -38.56 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.598 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.08 -39.99 88.0 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -36.99 62.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -62.01 -40.0 94.19 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.98 -36.34 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.635 -0.665 . . . . 0.0 109.818 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.9 t-160 -59.95 -40.49 89.17 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.055 -1.028 . . . . 0.0 109.075 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.76 -40.95 98.87 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.9 -1.125 . . . . 0.0 108.421 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.29 -38.31 56.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.446 -0.784 . . . . 0.0 109.721 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.37 15.66 13.42 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' HIS . 53.6 tp10 -59.31 100.69 0.08 Allowed 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -72.65 65.39 0.68 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.463 -0.773 . . . . 0.0 . -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.449 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 60.01 24.74 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.16 -0.962 . . . . 0.0 109.605 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.44 21.85 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 109.254 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.9 tp -60.02 -34.14 72.96 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.205 -0.934 . . . . 0.0 109.325 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -39.95 87.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.343 -0.848 . . . . 0.0 111.122 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.465 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -70.01 -38.75 76.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.052 -1.03 . . . . 0.0 109.778 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.05 83.23 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.916 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -64.12 -39.97 95.19 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -39.81 86.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 CA-C-O 121.587 0.708 . . . . 0.0 109.167 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.15 93.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.706 -0.621 . . . . 0.0 111.647 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.712 -1.243 . . . . 0.0 108.24 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -65.65 -39.97 86.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.828 -0.545 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.81 -44.1 97.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.882 -1.136 . . . . 0.0 111.706 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -39.98 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.94 -1.1 . . . . 0.0 110.647 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' B' ' 27' ' ' LEU . 64.6 t80 -60.01 -39.97 87.62 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.746 -1.221 . . . . 0.0 109.39 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -77.67 -22.08 51.12 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.815 -1.178 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -55.04 -45.02 75.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.168 -0.957 . . . . 0.0 110.574 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' HD23 ' B' ' 35' ' ' LEU . 26.2 p90 -116.16 -26.11 7.35 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.14 -0.975 . . . . 0.0 111.609 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 83.0 p -59.99 -39.9 87.29 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.667 -1.271 . . . . 0.0 109.332 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.9 -3.4 50.97 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.356 -1.497 . . . . 0.0 109.356 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 34.5 ttt-85 -60.03 -43.99 94.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.363 -1.081 . . . . 0.0 109.504 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -114.31 160.0 19.57 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.594 0.711 . . . . 0.0 110.055 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -14.74 0.06 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 98.1 m-20 -79.98 50.75 1.24 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.738 -1.448 . . . . 0.0 109.676 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.69 -40.03 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.21 -13.83 56.5 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.164 -0.96 . . . . 0.0 111.065 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' B' ' 23' ' ' ASP . 52.5 pttt -138.87 159.69 41.53 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.092 -1.005 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' B' ' 14' ' ' PHE . 7.3 tp -113.46 120.59 41.55 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.334 -0.854 . . . . 0.0 109.007 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.5 tttt -94.89 147.77 23.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.22 . . . . 0.0 108.661 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' B' ' 28' ' ' LYS . 24.0 pttm -41.44 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.69 0.757 . . . . 0.0 109.246 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -71.85 -49.34 39.16 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.467 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -66.89 -37.12 83.78 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.126 -0.984 . . . . 0.0 108.915 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -39.09 84.52 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.97 -40.03 87.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.409 -0.807 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.583 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 37.2 tp10 -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.453 -0.779 . . . . 0.0 110.222 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.609 HD13 ' C ' ' B' ' 35' ' ' LEU . 3.1 tm? -60.0 -49.52 77.36 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 122.281 1.039 . . . . 0.0 108.577 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -77.57 -47.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 O-C-N 121.371 -0.831 . . . . 0.0 112.848 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.71 -41.27 27.09 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.9 -1.125 . . . . 0.0 113.23 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.583 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 54.7 t30 -96.97 -34.08 11.34 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.828 ' O ' HD23 ' B' ' 40' ' ' LEU . 10.7 tp10 -88.25 -14.7 37.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.285 -1.51 . . . . 0.0 110.494 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.828 HD23 ' O ' ' B' ' 39' ' ' GLU . 11.2 mt -143.34 51.19 1.38 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.932 -1.105 . . . . 0.0 109.74 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -60.52 -48.34 82.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.087 -1.008 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.75 -37.06 10.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.924 -1.11 . . . . 0.0 110.915 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.04 -38.59 83.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -0.97 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -125.07 157.83 35.28 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.34 -0.85 . . . . 0.0 109.063 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -54.15 106.95 0.22 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.264 -0.898 . . . . 0.0 109.089 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.53 144.82 46.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.401 -0.812 . . . . 0.0 109.625 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -91.37 137.86 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -104.96 -19.37 13.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.32 -0.862 . . . . 0.0 109.831 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 76.9 tt0 -140.03 140.73 36.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.287 -0.883 . . . . 0.0 109.84 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.31 -20.72 66.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 110.777 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 16.8 pt-20 -59.97 -37.57 79.99 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 109.304 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.05 -40.02 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.23 -35.73 75.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 O-C-N 121.957 -0.464 . . . . 0.0 109.753 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -65.05 -38.06 89.62 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.053 0.93 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.658 ' HZ1' ' CD2' ' Y' ' 105' ' ' HIS . 33.0 ttpt -68.57 -40.03 80.75 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -66.18 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.555 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -69.6 -32.66 71.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.175 -1.578 . . . . 0.0 106.809 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 61.4 m -82.19 -44.23 16.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.759 -0.588 . . . . 0.0 111.707 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.416 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 53.2 mt -88.72 -18.9 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.832 -1.168 . . . . 0.0 110.792 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.7 t0 -80.86 62.84 5.03 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 88.7 mt-10 -58.59 -39.32 80.04 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.41 -16.38 61.33 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.54 87.52 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.0 p-10 -108.38 7.02 26.88 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.093 -1.24 . . . . 0.0 110.218 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.51 9.97 86.35 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.7 mt-10 -145.66 128.35 16.2 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 135.57 39.14 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' B' ' 70' ' ' PHE . 78.9 m-20 -69.07 160.8 30.34 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' B' ' 69' ' ' ASP . 2.7 t80 -47.82 -39.86 19.56 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.0 -46.47 89.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.637 -0.664 . . . . 0.0 110.904 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 38.0 mt-10 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.025 -1.047 . . . . 0.0 110.54 -177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.72 -34.12 76.24 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.6 mmm -59.97 -35.77 75.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 110.262 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.09 69.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.76 -1.212 . . . . 0.0 110.544 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.718 -1.239 . . . . 0.0 109.372 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.434 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -61.57 -34.71 62.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 CA-C-O 121.429 0.633 . . . . 0.0 109.454 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 54.1 m -60.0 -40.02 87.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.399 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.9 mtm -78.97 -44.46 22.4 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.993 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 83' ' ' ALA . 21.5 t -60.02 -38.7 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.203 -1.399 . . . . 0.0 109.497 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -36.97 62.85 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -62.18 -39.53 92.98 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.0 -36.71 77.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.59 -0.694 . . . . 0.0 109.857 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' B' ' 89' ' ' GLU . 12.0 t-80 -59.94 -40.32 88.54 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.034 -1.041 . . . . 0.0 109.15 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.392 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.27 -38.23 56.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.762 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.44 15.66 13.55 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' B' ' 85' ' ' HIS . 53.6 tp10 -59.28 100.91 0.08 Allowed 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -72.76 65.32 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.458 -0.776 . . . . 0.0 . -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -98.72 133.2 43.38 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.299 -0.875 . . . . 0.0 109.833 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 69.6 tp -107.7 135.59 48.87 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -85.05 133.56 34.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 43.1 t -70.01 -17.92 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.387 -0.821 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.66 130.01 38.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.091 -1.005 . . . . 0.0 109.651 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.46 153.63 23.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.473 -0.767 . . . . 0.0 109.319 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.41 121.12 5.35 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -82.68 155.52 24.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.305 -1.115 . . . . 0.0 110.179 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.432 ' O ' ' N ' ' X' ' 103' ' ' SER . 44.9 m -50.02 -24.89 2.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.46 -0.775 . . . . 0.0 109.613 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.556 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 15.3 t -43.19 -24.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.474 -0.767 . . . . 0.0 109.786 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.432 ' N ' ' O ' ' X' ' 101' ' ' SER . 33.9 t -48.16 -24.86 1.26 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.194 -0.941 . . . . 0.0 109.127 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' X' ' 104' ' ' ARG . 42.6 mtt-85 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.51 -0.744 . . . . 0.0 109.697 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.588 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.0 p-80 -57.25 -33.1 67.25 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.917 -1.115 . . . . 0.0 108.373 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.588 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 17.1 ttpp -59.95 -32.83 71.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.38 -39.97 81.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.885 . . . . 0.0 108.707 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.72 -24.54 44.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.403 -0.811 . . . . 0.0 109.871 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.4 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.2 mmt -57.28 -24.76 56.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.647 -1.283 . . . . 0.0 110.465 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.461 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 1.2 p90 -48.87 -33.78 11.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.529 -1.357 . . . . 0.0 109.284 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.461 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.3 OUTLIER -70.59 -40.1 73.44 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.749 -1.219 . . . . 0.0 109.002 176.398 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -60.82 -32.37 71.75 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.341 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.891 . . . . 0.0 . 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -98.46 133.52 42.72 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.319 -0.863 . . . . 0.0 109.911 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 61.8 tp -107.72 135.3 49.37 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.62 133.23 34.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.838 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 46.4 t -70.0 -18.27 63.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.35 -0.843 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -54.32 130.01 37.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 0.0 109.672 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.61 153.54 23.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.372 -0.83 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.49 121.23 5.5 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.04 155.36 23.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -1.089 . . . . 0.0 110.179 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.433 ' O ' ' N ' ' Y' ' 103' ' ' SER . 41.7 m -49.6 -24.99 2.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.44 -0.788 . . . . 0.0 109.761 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 15.2 t -43.19 -24.96 0.1 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.384 -0.822 . . . . 0.0 109.859 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.433 ' N ' ' O ' ' Y' ' 101' ' ' SER . 38.7 t -48.3 -24.83 1.32 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.079 -1.013 . . . . 0.0 109.052 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 44.5 mtt-85 -59.98 -40.03 87.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.807 . . . . 0.0 109.761 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.658 ' CD2' ' HZ1' ' B' ' 55' ' ' LYS . 4.9 p-80 -57.15 -33.08 67.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.953 -1.092 . . . . 0.0 108.361 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.586 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 17.2 ttpp -60.0 -32.86 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.36 -40.0 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 108.725 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 55.5 tp -78.74 -24.47 44.79 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.367 -0.833 . . . . 0.0 109.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 14.8 mmt -57.34 -24.73 56.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.663 -1.273 . . . . 0.0 110.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.462 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 1.2 p90 -48.85 -33.75 11.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.535 -1.353 . . . . 0.0 109.241 -178.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.462 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.3 OUTLIER -70.46 -40.8 73.49 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.7 -1.25 . . . . 0.0 109.0 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -60.06 -32.03 70.55 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.512 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 77.8 mm-40 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 0.0 . 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mtp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p 53.54 36.97 24.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 109.595 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.94 -1.15 21.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.551 -0.718 . . . . 0.0 109.289 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -48.36 -19.52 0.31 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.462 -0.773 . . . . 0.0 109.999 -178.279 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' NE2' ' B' ' 42' ' ' HIS . 99.7 mt-10 -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.24 -1.538 . . . . 0.0 109.014 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -77.35 -38.13 50.84 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.696 -0.628 . . . . 0.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.27 -39.97 71.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.206 -0.934 . . . . 0.0 112.212 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 2.1 mtt -70.04 -39.93 75.44 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.938 -1.101 . . . . 0.0 109.217 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.18 -32.38 47.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 121.568 -0.708 . . . . 0.0 110.207 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.51 -36.08 63.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.774 . . . . 0.0 110.856 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.07 -43.8 95.2 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.26 -38.13 77.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.48 -44.03 96.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.021 -1.049 . . . . 0.0 112.244 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -39.88 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.831 -1.168 . . . . 0.0 109.693 -178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 15.8 t80 -58.69 -39.97 82.28 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.2 -37.03 79.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 111.078 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -59.95 -40.65 89.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.735 -1.228 . . . . 0.0 110.876 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 44.6 m-85 -86.67 -34.32 19.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.697 -1.252 . . . . 0.0 111.924 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 4.9 t -60.05 -40.03 88.02 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.93 -1.106 . . . . 0.0 109.727 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.37 -6.97 77.33 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 20' ' ' ARG . 38.1 ttt-85 -60.01 -46.72 88.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.129 -1.218 . . . . 0.0 109.635 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -115.0 159.63 20.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.65 0.738 . . . . 0.0 110.057 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.36 -18.84 0.6 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 26' ' ' LYS . 5.3 m-20 -79.45 59.78 3.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.829 -1.395 . . . . 0.0 110.053 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' O ' ' OG ' ' A' ' 18' ' ' SER . 33.4 ttmt -62.44 -39.95 95.03 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.955 -1.091 . . . . 0.0 109.345 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.72 -17.97 52.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 111.467 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.5 mttt -140.72 156.54 46.17 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.717 -1.239 . . . . 0.0 111.144 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.01 132.1 53.88 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.4 mtpm? -102.98 150.44 23.54 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' LYS . 19.5 pttp -42.37 -26.55 0.11 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.873 0.844 . . . . 0.0 109.063 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -75.88 -49.91 16.56 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.577 0.703 . . . . 0.0 109.4 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 56.1 tt0 -68.21 -32.99 73.6 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.03 -38.79 83.77 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HD3' HG21 ' A' ' 53' ' ' VAL . 9.2 tptp -57.72 -40.0 78.55 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.0 -40.05 83.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.861 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -59.97 -50.01 75.44 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.569 -1.332 . . . . 0.0 108.713 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.433 HG23 HD12 ' A' ' 40' ' ' LEU . 49.1 mt -74.97 -46.78 39.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.714 -0.616 . . . . 0.0 112.312 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -66.81 -40.04 87.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.04 -1.038 . . . . 0.0 112.513 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -99.25 -33.73 10.63 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 39' ' ' GLU . 2.5 tm-20 -82.55 -19.19 39.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.224 -1.547 . . . . 0.0 110.005 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HG23 ' A' ' 36' ' ' ILE . 28.6 mt -115.48 33.46 5.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.21 -0.931 . . . . 0.0 109.282 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -59.95 -40.11 87.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.444 ' NE2' ' OE2' ' B' ' 4' ' ' GLU . 54.8 p-80 -117.49 -11.36 10.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 8.8 t80 -64.33 -43.94 93.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.817 -1.177 . . . . 0.0 109.197 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 44' ' ' LEU . 1.9 pp -160.38 176.59 11.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.821 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -53.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 12.5 pt-20 -61.1 -175.9 0.05 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 109.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.466 HG21 HG23 ' A' ' 53' ' ' VAL . 5.1 mm -93.05 146.96 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 110.049 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 30.1 mmtp -113.73 -23.6 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.702 -0.624 . . . . 0.0 109.633 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -131.88 154.71 48.93 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.99 -25.74 63.75 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.4 -40.02 89.4 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.171 -0.956 . . . . 0.0 110.62 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.37 -39.88 82.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 120.975 -1.078 . . . . 0.0 108.697 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.466 HG23 HG21 ' A' ' 47' ' ' ILE . 61.0 t -62.63 -39.96 86.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.529 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.25 -39.95 92.23 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.64 -0.663 . . . . 0.0 109.627 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.59 -40.02 95.88 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.07 -31.34 53.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.3 mmm -69.96 -28.32 65.45 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.706 -0.798 . . . . 0.0 108.869 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -39.92 87.31 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -80.39 -40.05 27.24 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 76' ' ' PHE . 4.0 mm? -88.34 -18.05 29.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.849 -1.157 . . . . 0.0 110.5 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -79.46 60.87 3.33 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.99 -34.87 73.91 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -77.31 -10.03 59.19 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.32 28.71 72.73 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.78 5.42 28.59 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.104 -1.233 . . . . 0.0 110.263 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.539 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 77.3 9.07 87.02 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.709 ' O ' 'CA ' ' A' ' 115' ' ' ' CA' . 63.7 mt-10 -139.49 136.06 34.17 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 16.9 p -103.2 128.09 50.28 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 43.7 t0 -74.33 165.95 24.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.183 -0.948 . . . . 0.0 110.243 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -53.09 -37.1 61.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.19 -0.944 . . . . 0.0 108.898 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.29 -37.88 81.1 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.187 -0.946 . . . . 0.0 109.578 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.96 -40.18 87.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.936 -1.103 . . . . 0.0 109.639 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 77' ' ' VAL . 83.4 t80 -64.94 -33.86 77.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 109.611 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -39.65 85.92 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.877 -0.514 . . . . 0.0 110.398 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.01 68.76 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.674 -1.211 . . . . 0.0 111.083 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.702 ' HB2' HD11 ' A' ' 60' ' ' LEU . 73.1 t80 -70.24 -20.78 63.05 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.139 . . . . 0.0 110.534 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.461 HG11 HD21 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -80.03 -31.65 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.908 -1.12 . . . . 0.0 109.562 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 p -69.91 -40.38 75.61 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.596 -1.242 . . . . 0.0 109.701 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.06 -41.55 70.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.07 -1.019 . . . . 0.0 110.65 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 76' ' ' PHE . 87.7 t -63.35 -39.43 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.455 -1.403 . . . . 0.0 109.092 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -37.02 78.37 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 m -52.37 -39.17 60.45 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 109.366 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.02 -38.8 83.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.329 -0.857 . . . . 0.0 109.961 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -57.43 -39.88 77.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 0.0 109.201 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.681 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.11 -24.25 21.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.015 -1.053 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -93.86 4.02 54.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.937 -1.102 . . . . 0.0 108.448 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.07 -98.53 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.15 -20.2 62.33 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.487 1.381 0 O-C-N 121.87 -0.519 . . . . 0.0 . -179.731 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.8 p 53.6 36.99 24.91 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 109.499 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -74.88 -1.42 22.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.535 -0.728 . . . . 0.0 109.168 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.539 ' O ' HD23 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -48.12 -19.66 0.29 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 110.071 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' NE2' ' A' ' 42' ' ' HIS . 98.9 mt-10 -66.8 -40.45 88.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.177 -1.577 . . . . 0.0 109.133 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -77.14 -38.29 52.29 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.763 -0.585 . . . . 0.0 110.906 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -40.02 71.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.197 -0.94 . . . . 0.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.547 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 2.0 mtt -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.834 -1.166 . . . . 0.0 109.229 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -71.25 -32.26 46.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.538 -0.726 . . . . 0.0 110.103 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.23 -36.94 63.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.795 . . . . 0.0 110.717 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -60.0 -43.19 95.35 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.57 -38.43 76.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.859 -0.526 . . . . 0.0 110.215 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.17 -43.85 95.48 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.077 -1.014 . . . . 0.0 112.366 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -39.9 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.766 -1.209 . . . . 0.0 109.565 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' B' ' 70' ' ' PHE . 15.4 t80 -58.44 -40.02 81.41 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 119.301 -0.96 . . . . 0.0 108.718 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.07 -36.83 78.21 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.203 -0.936 . . . . 0.0 111.193 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -59.98 -40.53 89.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.761 -1.212 . . . . 0.0 110.995 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.454 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 44.3 m-85 -86.87 -34.66 19.37 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.76 -1.212 . . . . 0.0 111.881 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 4.9 t -59.9 -40.02 87.39 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.977 -1.077 . . . . 0.0 109.76 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -6.74 76.44 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -60.12 -46.78 88.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.26 . . . . 0.0 109.559 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -115.05 159.4 20.86 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.708 0.766 . . . . 0.0 110.068 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.11 -18.73 0.49 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 26' ' ' LYS . 5.5 m-20 -79.57 59.37 2.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.859 -1.377 . . . . 0.0 110.053 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.472 ' O ' ' OG ' ' B' ' 18' ' ' SER . 33.5 ttmt -62.08 -40.01 94.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.99 -1.069 . . . . 0.0 109.402 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -79.85 -17.88 52.13 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 111.409 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 23' ' ' ASP . 98.9 mttt -140.5 155.95 46.49 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.78 -1.2 . . . . 0.0 111.144 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -107.94 132.13 53.81 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.5 mtpm? -103.09 150.49 23.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -42.44 -26.7 0.12 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.913 0.863 . . . . 0.0 109.062 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.1 t -75.71 -49.98 16.69 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.589 0.709 . . . . 0.0 109.343 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 57.2 tt0 -68.36 -32.79 73.14 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.03 -38.52 82.96 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.417 ' HD3' HG21 ' B' ' 53' ' ' VAL . 9.0 tptp -58.11 -39.8 79.57 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.573 -0.704 . . . . 0.0 109.182 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.34 -39.99 81.73 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.908 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.732 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.01 -50.09 75.11 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.508 -1.37 . . . . 0.0 108.446 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.461 HG23 HD12 ' B' ' 40' ' ' LEU . 41.3 mt -74.77 -46.59 40.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.594 -0.691 . . . . 0.0 112.504 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.01 -40.04 87.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.969 -1.082 . . . . 0.0 112.518 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -98.87 -34.4 10.49 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.15 -19.24 40.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.171 -1.581 . . . . 0.0 110.194 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.461 HD12 HG23 ' B' ' 36' ' ' ILE . 26.1 mt -115.33 33.54 5.39 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.209 -0.932 . . . . 0.0 109.132 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -39.95 87.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 109.978 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.422 ' NE2' ' OE2' ' A' ' 4' ' ' GLU . 53.9 p-80 -117.54 -11.42 10.48 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.379 -0.826 . . . . 0.0 110.273 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 8.9 t80 -64.27 -43.88 93.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.882 -1.136 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.505 ' C ' HD12 ' B' ' 44' ' ' LEU . 2.0 pp -160.78 176.05 11.91 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.251 -0.906 . . . . 0.0 109.751 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.6 tp10 -52.75 96.56 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 44' ' ' LEU . 12.1 pt-20 -61.15 -176.34 0.06 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.501 -0.75 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.46 HG21 HG23 ' B' ' 53' ' ' VAL . 5.2 mm -92.69 147.09 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.325 -0.86 . . . . 0.0 110.001 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.492 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 30.4 mmtp -113.86 -23.93 9.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.665 -0.647 . . . . 0.0 109.597 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -131.76 154.88 48.61 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.32 -0.862 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.98 -25.91 63.84 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.25 -40.0 88.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.34 -39.91 82.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.02 -1.05 . . . . 0.0 108.675 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.46 HG23 HG21 ' B' ' 47' ' ' ILE . 57.6 t -62.65 -40.07 87.06 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.625 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -61.22 -39.78 91.54 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.557 -0.714 . . . . 0.0 109.551 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.71 -40.08 95.88 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.4 mmm -69.95 -28.39 65.53 Favored 'General case' 0 C--O 1.2 -1.544 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -59.91 -39.99 87.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.5 m -80.18 -40.23 27.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.784 -0.573 . . . . 0.0 111.012 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' B' ' 76' ' ' PHE . 4.1 mm? -87.95 -18.38 29.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.919 -1.113 . . . . 0.0 110.585 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 60.7 t0 -79.26 60.84 3.2 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -59.99 -34.94 74.0 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -77.36 -10.26 59.34 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.54 28.7 72.86 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.6 5.27 28.86 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.142 -1.211 . . . . 0.0 110.184 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.569 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 77.51 9.02 87.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -139.52 135.79 33.83 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 16.1 p -102.94 128.26 49.82 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 40.3 t0 -74.3 166.29 23.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -53.49 -37.17 62.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.0 108.906 -179.185 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.09 -37.76 81.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.128 -0.983 . . . . 0.0 109.568 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.48 -40.04 85.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.879 -1.138 . . . . 0.0 109.559 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.439 ' O ' HG23 ' B' ' 77' ' ' VAL . 85.1 t80 -64.5 -34.25 77.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.419 -0.801 . . . . 0.0 109.608 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.96 -39.53 85.9 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.238 0.542 . . . . 0.0 110.412 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.54 68.23 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.695 -1.253 . . . . 0.0 111.293 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.632 ' HB2' HD11 ' B' ' 60' ' ' LEU . 72.0 t80 -70.94 -20.38 62.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.939 -1.1 . . . . 0.0 110.487 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.487 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -80.09 -31.67 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.005 -1.06 . . . . 0.0 109.569 -179.515 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.9 p -69.77 -40.55 76.01 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.604 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -70.99 -41.69 70.63 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.683 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 76' ' ' PHE . 86.3 t -63.23 -39.54 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.498 -1.376 . . . . 0.0 108.985 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -37.06 78.44 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.6 m -52.36 -39.33 60.64 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.99 -38.33 82.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.345 -0.847 . . . . 0.0 109.977 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -57.71 -39.83 78.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.221 -0.924 . . . . 0.0 109.198 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -39.86 87.28 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.261 -0.9 . . . . 0.0 109.77 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.17 -24.27 21.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.123 -0.986 . . . . 0.0 110.594 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' B' ' 89' ' ' GLU . 3.6 m-85 -93.85 4.05 54.49 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.964 -1.085 . . . . 0.0 108.434 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' B' ' 88' ' ' PHE . 87.1 tt0 -53.99 -98.29 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.26 -20.32 62.24 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 . . . . . 0 N--CA 1.487 1.419 0 O-C-N 121.985 -0.447 . . . . 0.0 . -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.274 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tt -113.78 128.5 56.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.581 -0.699 . . . . 0.0 109.23 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -101.09 139.67 36.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.428 -0.795 . . . . 0.0 108.962 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 84.4 p -66.39 146.73 54.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.643 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.45 28.27 3.05 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.492 -0.755 . . . . 0.0 109.673 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 55.69 40.45 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.335 -0.853 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.53 63.5 2.14 Favored Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.267 -0.896 . . . . 0.0 111.58 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -80.0 160.13 25.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.935 -1.332 . . . . 0.0 109.27 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -50.08 -24.77 2.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.772 . . . . 0.0 109.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 26.2 m -48.83 -28.29 3.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.906 -1.121 . . . . 0.0 109.435 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -48.84 -24.85 1.59 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -38.04 81.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.477 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 43.0 t-80 -59.86 -40.0 87.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.888 -1.132 . . . . 0.0 108.604 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.83 -30.43 68.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.219 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.01 -39.85 87.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.922 -1.111 . . . . 0.0 108.281 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 tp -69.69 -31.16 69.03 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.631 -0.668 . . . . 0.0 109.547 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.38 55.88 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.769 -1.207 . . . . 0.0 109.794 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.534 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -39.86 -45.94 1.9 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.742 . . . . 0.0 110.494 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.16 -28.84 42.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.975 -1.078 . . . . 0.0 108.951 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.461 ' N ' ' O ' ' X' ' 109' ' ' MET . 94.3 m -59.96 -40.27 88.49 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.406 -0.809 . . . . 0.0 . 178.857 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.265 0.555 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.217 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 8.1 tt -113.75 128.35 56.38 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.533 -0.729 . . . . 0.0 109.312 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -100.71 139.85 35.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.372 -0.83 . . . . 0.0 108.945 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 84.5 p -66.7 146.67 54.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.287 -0.883 . . . . 0.0 109.442 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.39 28.16 3.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.435 -0.791 . . . . 0.0 109.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt 55.6 40.29 31.03 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.26 -0.9 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.62 63.94 2.02 Favored Glycine 0 N--CA 1.494 2.564 0 O-C-N 121.304 -0.873 . . . . 0.0 111.541 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -80.01 160.03 26.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.901 -1.353 . . . . 0.0 109.157 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -50.27 -24.74 3.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.827 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 28.6 m -48.54 -28.56 3.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.367 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 42.4 t -48.68 -24.96 1.55 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.966 . . . . 0.0 108.605 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.01 -37.88 81.01 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.492 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 44.3 t-80 -59.94 -40.01 87.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.92 -1.112 . . . . 0.0 108.577 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.98 -30.39 69.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.116 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.93 -39.93 87.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.861 -1.149 . . . . 0.0 108.25 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.46 -31.12 69.22 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.591 -0.693 . . . . 0.0 109.607 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.35 55.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.718 -1.239 . . . . 0.0 109.802 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 3.9 p90 -39.78 -46.14 1.88 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.456 -0.777 . . . . 0.0 110.462 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.08 -28.93 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.963 -1.086 . . . . 0.0 109.048 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.456 ' N ' ' O ' ' Y' ' 109' ' ' MET . 94.2 m -60.06 -39.9 87.6 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 . 178.837 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . 0.709 'CA ' ' O ' ' A' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.9 mpt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 51.89 18.58 0.81 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.506 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.97 -5.24 42.83 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.489 -0.757 . . . . 0.0 109.472 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -42.52 -25.46 0.08 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.745 -0.597 . . . . 0.0 110.37 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLU . 86.0 tt0 -68.76 -39.96 79.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 109.582 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.3 mppt? -75.54 -35.15 60.74 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.514 -0.741 . . . . 0.0 109.841 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -69.93 -43.32 71.89 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.39 -0.819 . . . . 0.0 111.825 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -66.28 -40.04 89.8 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.901 -1.124 . . . . 0.0 109.738 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.72 -35.64 73.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.831 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -70.03 -36.92 75.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.633 -0.667 . . . . 0.0 111.428 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.92 -40.06 87.56 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.766 -1.209 . . . . 0.0 107.79 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -69.13 -39.88 79.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.868 -0.52 . . . . 0.0 111.07 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.54 -41.7 99.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.67 -1.269 . . . . 0.0 111.742 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -39.92 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.897 -1.127 . . . . 0.0 110.185 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 12.0 t80 -59.25 -36.28 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.933 -1.105 . . . . 0.0 108.611 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -70.13 -28.39 65.34 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.183 -0.948 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.07 -42.01 93.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.48 -1.387 . . . . 0.0 110.14 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.89 -39.48 10.2 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.971 -1.081 . . . . 0.0 111.96 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.493 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . 21.2 p -61.0 -40.82 95.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.125 -0.984 . . . . 0.0 110.504 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.87 -11.78 83.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -60.01 -48.04 83.34 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -1.207 . . . . 0.0 109.063 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -93.19 -4.07 52.72 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.34 -8.16 79.5 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.5 m-20 -80.36 67.79 6.31 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.579 -1.542 . . . . 0.0 108.915 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -69.99 -33.43 72.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.957 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -77.28 -29.14 53.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.159 -0.963 . . . . 0.0 110.699 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.9 pttt -136.95 157.77 45.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.148 -0.97 . . . . 0.0 109.497 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -120.01 129.59 54.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 30' ' ' SER . 91.0 mttt -92.84 152.75 19.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.695 -1.253 . . . . 0.0 110.186 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -49.55 -22.58 1.3 Allowed 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 28' ' ' LYS . 26.4 t -76.05 -53.7 7.95 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.511 0.672 . . . . 0.0 109.337 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.99 -33.97 76.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.26 -41.78 97.5 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.885 -0.509 . . . . 0.0 110.192 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.08 -40.03 95.37 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.988 -1.07 . . . . 0.0 110.251 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.16 -38.14 89.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.143 -0.973 . . . . 0.0 109.467 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.692 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.4 tt -65.69 -48.36 72.29 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.05 -1.031 . . . . 0.0 108.903 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.531 HG23 HD12 ' A' ' 40' ' ' LEU . 74.0 mt -73.35 -46.37 49.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.438 -0.788 . . . . 0.0 111.056 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -68.75 -39.69 80.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.928 -1.108 . . . . 0.0 112.368 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 2.6 m120 -96.91 -35.57 10.85 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.216 -0.927 . . . . 0.0 113.156 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.23 -10.05 59.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.114 -1.616 . . . . 0.0 109.866 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.531 HD12 HG23 ' A' ' 36' ' ' ILE . 24.6 mt -117.6 54.79 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.255 -0.903 . . . . 0.0 108.61 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -60.01 -42.44 94.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.11 -0.994 . . . . 0.0 110.498 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -131.76 1.87 4.03 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.222 -0.924 . . . . 0.0 109.968 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -50.32 73.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.168 -0.958 . . . . 0.0 109.396 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.25 -161.5 0.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.064 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.1 tt0 -52.3 94.85 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.752 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.35 152.98 39.84 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.473 HG21 HG23 ' A' ' 53' ' ' VAL . 36.5 mm -82.22 139.39 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.778 -1.201 . . . . 0.0 109.755 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -117.75 -13.66 10.16 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.497 -0.752 . . . . 0.0 109.149 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.75 150.78 46.5 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.25 -0.906 . . . . 0.0 110.762 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -68.29 -26.46 65.66 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.04 -39.93 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.568 -0.707 . . . . 0.0 111.587 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -39.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.754 -1.216 . . . . 0.0 109.012 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.473 HG23 HG21 ' A' ' 47' ' ' ILE . 89.2 t -64.4 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.764 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -62.05 -39.86 93.78 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.577 -0.702 . . . . 0.0 109.944 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.13 -40.0 93.83 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.17 -33.53 61.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.5 mmm -69.96 -30.03 67.3 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.175 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.44 -35.48 67.9 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -80.59 -46.98 14.82 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.713 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 30.6 mt -88.16 -13.99 39.81 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.826 -1.171 . . . . 0.0 110.605 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.6 t0 -79.85 60.32 3.42 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 62.0 mt-10 -59.95 -40.07 87.75 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.871 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -80.49 -5.51 56.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.299 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.15 33.68 85.98 Favored Glycine 0 N--CA 1.497 2.705 0 C-N-CA 120.124 -1.036 . . . . 0.0 110.963 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 47.9 p-10 -106.42 1.24 25.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.006 -1.29 . . . . 0.0 110.103 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.54 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.02 4.19 89.6 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.9 mt-10 -135.17 133.01 38.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.88 123.32 38.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.901 -1.124 . . . . 0.0 108.834 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.33 163.1 25.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 111.213 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t80 -41.26 -43.01 2.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -67.23 -43.72 81.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.417 -0.802 . . . . 0.0 110.082 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 46.8 mt-10 -63.21 -40.17 96.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.925 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.62 -35.78 75.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.789 -1.195 . . . . 0.0 109.164 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.0 mmm -59.94 -37.51 79.72 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.584 -0.698 . . . . 0.0 110.43 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.01 -33.49 73.74 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.745 -1.222 . . . . 0.0 110.673 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.919 -1.113 . . . . 0.0 110.379 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.15 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 121.198 0.523 . . . . 0.0 109.972 -178.685 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 6.2 p -65.81 -40.05 91.49 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.435 -0.791 . . . . 0.0 110.039 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.0 mtp -70.05 -42.6 72.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.901 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.96 -38.6 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.269 -0.894 . . . . 0.0 109.31 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' CYS . 94.4 m -59.98 -40.03 87.72 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -38.5 33.53 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.01 89.66 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' THR . 61.8 m -61.84 -30.78 71.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.472 -0.767 . . . . 0.0 109.628 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.443 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 53.8 t-80 -59.9 -39.94 87.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.947 -1.096 . . . . 0.0 108.462 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -68.75 -39.91 80.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.857 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -70.09 -43.0 71.98 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.35 71.8 4.45 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.63 109.41 4.87 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.864 0.84 . . . . 0.0 109.318 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.511 ' HD1' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -88.5 9.46 23.66 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' N ' ' HD1' ' A' ' 90' ' ' HIS . 32.1 mp0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 . -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' B' ' 0' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t 51.78 18.59 0.78 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -75.03 -5.25 43.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 109.585 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -42.44 -25.69 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.728 -0.607 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 2' ' ' GLU . 86.0 tt0 -68.78 -39.85 79.98 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.939 -1.1 . . . . 0.0 109.533 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.459 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -75.36 -35.5 61.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.48 -0.763 . . . . 0.0 109.904 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -70.02 -43.25 71.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 111.885 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.4 mtt -66.15 -40.05 90.27 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.966 -1.084 . . . . 0.0 109.684 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.72 -35.57 73.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.663 -0.648 . . . . 0.0 109.723 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -70.02 -37.1 75.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.615 -0.678 . . . . 0.0 111.438 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.94 -40.04 87.6 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.787 -1.196 . . . . 0.0 107.815 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.01 -40.01 80.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.911 -0.493 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.62 -41.55 99.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.61 -1.306 . . . . 0.0 111.765 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -40.03 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.932 -1.105 . . . . 0.0 110.159 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.582 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 13.0 t80 -59.11 -36.45 75.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.89 -1.131 . . . . 0.0 108.55 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -70.11 -28.43 65.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.182 -0.949 . . . . 0.0 111.062 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -60.04 -41.89 93.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.511 -1.368 . . . . 0.0 110.168 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.03 -39.22 10.27 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.938 -1.101 . . . . 0.0 111.967 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 14' ' ' PHE . 20.2 p -61.33 -40.47 94.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.977 . . . . 0.0 110.398 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.11 -11.78 83.23 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -60.03 -47.93 83.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -1.145 . . . . 0.0 109.094 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -93.57 -3.79 52.09 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.49 -8.69 78.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.7 m-20 -80.26 67.86 6.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.566 -1.55 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.01 -33.39 71.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -77.32 -29.39 53.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 51.9 pttt -136.72 157.89 45.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.171 -0.956 . . . . 0.0 109.454 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 tp -119.99 129.92 54.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 30' ' ' SER . 89.2 mttt -93.27 152.8 18.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.728 -1.233 . . . . 0.0 110.098 -178.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -49.54 -22.46 1.26 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.422 ' N ' ' C ' ' B' ' 28' ' ' LYS . 26.8 t -76.22 -53.3 8.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.318 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.31 -41.85 97.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.866 -0.521 . . . . 0.0 110.166 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.07 -40.04 95.4 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.065 -1.022 . . . . 0.0 110.256 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.01 -38.46 91.15 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.397 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.665 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.6 tt -65.38 -48.56 72.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.058 -1.026 . . . . 0.0 108.925 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 HD12 ' B' ' 40' ' ' LEU . 74.0 mt -73.2 -46.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.46 -0.775 . . . . 0.0 111.213 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -68.94 -39.61 79.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.892 -1.13 . . . . 0.0 112.285 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 2.6 m120 -96.95 -35.74 10.77 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.161 -0.962 . . . . 0.0 113.194 -176.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.04 -10.01 59.75 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.133 -1.604 . . . . 0.0 109.849 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.54 HD12 HG23 ' B' ' 36' ' ' ILE . 24.5 mt -117.75 54.73 0.89 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -59.96 -42.53 94.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.55 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -131.81 2.05 4.02 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.279 -0.888 . . . . 0.0 110.011 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -50.38 72.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.436 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.4 -161.43 0.8 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.771 -1.206 . . . . 0.0 111.092 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' Y' ' 105' ' ' HIS . 86.0 tt0 -52.28 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.65 0.738 . . . . 0.0 110.681 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.43 153.19 39.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.476 HG21 HG23 ' B' ' 53' ' ' VAL . 35.7 mm -82.72 139.02 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.84 -1.163 . . . . 0.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -117.18 -13.43 10.5 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.568 -0.707 . . . . 0.0 109.241 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.79 150.49 46.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.218 -0.926 . . . . 0.0 110.734 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -67.99 -26.57 65.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -60.14 -39.92 88.01 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.569 -0.707 . . . . 0.0 111.659 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.4 -39.7 85.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.772 -1.205 . . . . 0.0 108.966 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.476 HG23 HG21 ' B' ' 47' ' ' ILE . 90.7 t -64.27 -39.99 87.47 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.785 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.04 -40.02 94.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.526 -0.734 . . . . 0.0 109.962 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.18 -33.35 60.42 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.6 mmm -69.97 -30.16 67.44 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.079 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.33 -35.31 67.46 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -80.94 -46.88 14.48 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.591 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.431 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 29.8 mt -88.01 -14.2 39.66 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.881 -1.137 . . . . 0.0 110.7 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.9 t0 -79.73 60.33 3.35 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.452 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 62.1 mt-10 -59.97 -40.02 87.64 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 -178.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -80.59 -5.41 56.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.134 -0.979 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.23 33.67 85.82 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.0 -1.095 . . . . 0.0 110.981 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 47.8 p-10 -106.5 1.33 25.38 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.943 -1.328 . . . . 0.0 110.12 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.0 4.28 89.6 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.9 mt-10 -135.19 133.28 38.92 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 123.38 38.64 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.911 -1.118 . . . . 0.0 108.779 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 70' ' ' PHE . 96.0 m-20 -69.36 163.28 25.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 111.211 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.582 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 6.2 t80 -41.4 -42.87 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.16 -43.94 81.01 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.434 -0.792 . . . . 0.0 110.18 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 46.9 mt-10 -63.16 -40.04 96.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.462 -0.774 . . . . 0.0 110.949 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.92 -35.66 74.73 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.838 -1.163 . . . . 0.0 109.147 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mmm -60.0 -37.62 80.24 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.272 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.455 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.83 -33.51 73.94 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.781 -1.199 . . . . 0.0 110.738 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.892 -1.13 . . . . 0.0 110.314 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.462 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -63.87 -37.92 81.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-O 121.284 0.564 . . . . 0.0 109.934 -178.78 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 8.5 p -65.84 -40.08 91.41 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 110.093 -178.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.4 mtp -70.16 -42.39 72.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.85 -38.53 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 84' ' ' CYS . 94.2 m -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -38.64 32.45 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.99 89.45 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' B' ' 81' ' ' THR . 61.2 m -61.8 -30.52 70.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.457 -0.777 . . . . 0.0 109.628 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.47 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 54.0 t-80 -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.939 -1.101 . . . . 0.0 108.451 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -68.75 -40.06 79.98 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 108.789 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.0 -42.85 72.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 108.747 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.45 71.87 4.39 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -70.65 109.28 4.81 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.819 0.819 . . . . 0.0 109.32 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.504 ' HD1' ' N ' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -88.54 9.41 23.97 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.504 ' N ' ' HD1' ' B' ' 90' ' ' HIS . 32.0 mp0 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 . -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 92' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' X' ' 93' ' ' HIS . 31.2 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.35 0.595 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 93' ' ' HIS . . . . . 0.493 ' N ' ' OG ' ' X' ' 92' ' ' SER . 83.1 t60 -96.92 117.36 30.96 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.358 -0.839 . . . . 0.0 109.05 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.41 149.48 40.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.976 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -118.66 132.21 56.17 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -76.64 149.52 36.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.304 -0.873 . . . . 0.0 109.559 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 84.2 tttt 50.03 60.02 4.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.305 -0.872 . . . . 0.0 109.791 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.958 -1.089 . . . . 0.0 109.32 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.13 137.98 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -104.56 133.12 49.96 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.418 -1.048 . . . . 0.0 108.789 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 69.6 m -53.6 -25.05 15.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.987 -1.07 . . . . 0.0 108.119 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 31.4 p -50.25 -28.84 8.35 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -52.56 -32.28 40.13 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.08 -37.1 78.91 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.498 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 77.6 t60 -58.24 -39.08 78.2 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -58.85 -25.39 63.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.94 -29.36 66.48 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.336 -0.852 . . . . 0.0 109.462 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -56.14 -24.48 41.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.256 -1.527 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.08 -45.0 7.86 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.12 -0.987 . . . . 0.0 109.493 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.569 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 24.2 pttt -61.62 -39.57 91.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 71.7 p -68.33 -27.59 66.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.385 -0.822 . . . . 0.0 109.128 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.452 -0.78 . . . . 0.0 . 179.177 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' Y' ' 93' ' ' HIS . 26.7 t . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . 0.532 ' N ' ' OG ' ' Y' ' 92' ' ' SER . 83.8 t60 -96.49 117.06 30.12 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.34 -0.85 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -74.39 148.98 40.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.165 -0.959 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -118.34 132.25 56.28 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.551 -0.718 . . . . 0.0 109.188 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 90.9 p -76.31 149.74 37.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.25 -0.906 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 84.7 tttt 50.03 60.02 4.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.654 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.028 -1.045 . . . . 0.0 109.289 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.05 137.65 2.49 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -104.35 133.44 49.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.358 -1.083 . . . . 0.0 108.92 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 67.8 m -53.6 -25.39 17.31 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.01 -1.056 . . . . 0.0 108.161 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 31.8 p -50.02 -29.11 8.04 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 75.6 m -52.52 -32.06 38.53 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.01 -37.33 79.39 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.45 ' N ' ' OE2' ' B' ' 45' ' ' GLU . 78.3 t60 -58.35 -38.92 78.19 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -58.98 -25.34 63.51 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.98 -29.5 66.62 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.406 -0.809 . . . . 0.0 109.317 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.09 -24.49 40.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.343 -1.473 . . . . 0.0 109.24 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.564 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.09 -44.66 7.68 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.044 -1.035 . . . . 0.0 109.467 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.564 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 24.9 pttt -62.05 -40.0 94.27 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 58.8 p -67.3 -27.88 67.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.828 . . . . 0.0 109.274 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.492 -0.755 . . . . 0.0 . 179.597 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.367 0.603 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.467 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.3 t 62.52 14.04 6.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 109.643 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.15 9.8 2.32 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.98 -39.75 86.76 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.611 -0.68 . . . . 0.0 110.182 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -52.0 -40.01 60.33 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.806 -1.184 . . . . 0.0 110.388 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -69.73 -35.0 74.62 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.192 -0.943 . . . . 0.0 109.387 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.119 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.538 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 28.4 mmm -66.74 -40.01 88.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.71 -34.96 67.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.0 82.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.612 -0.68 . . . . 0.0 111.569 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.567 -1.333 . . . . 0.0 107.822 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.56 -39.67 84.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.854 -0.529 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -65.14 -42.16 94.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.639 -1.288 . . . . 0.0 111.977 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -41.36 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.777 -1.202 . . . . 0.0 110.048 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 63.8 t80 -59.14 -39.18 81.59 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.08 -35.6 79.14 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.547 -0.721 . . . . 0.0 111.198 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.84 -39.96 86.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.673 -1.267 . . . . 0.0 111.214 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.41 -26.21 18.13 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 120.498 -1.377 . . . . 0.0 111.713 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.513 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 66.8 m -60.02 -40.0 87.78 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.979 -1.076 . . . . 0.0 109.6 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.26 43.2 2.98 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.519 ' NE ' ' OE1' ' A' ' 34' ' ' GLU . 13.2 mmt180 -79.85 -70.04 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.068 -1.254 . . . . 0.0 110.442 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.23 -13.0 15.24 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.443 -0.786 . . . . 0.0 110.318 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.44 -11.67 2.48 Favored Glycine 0 N--CA 1.497 2.752 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.855 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 26' ' ' LYS . 11.0 m-20 -80.85 72.68 7.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.564 -1.551 . . . . 0.0 108.628 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -69.99 -45.76 66.64 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.513 0.673 . . . . 0.0 110.185 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.19 -1.8 58.23 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.763 . . . . 0.0 110.568 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' ASP . 3.7 ttmp? -139.45 148.34 42.61 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 108.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -119.7 125.5 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' SER . 64.8 tttm -92.99 149.16 21.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.032 -1.042 . . . . 0.0 109.351 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -46.01 -22.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' LYS . 84.3 p -75.58 -48.71 21.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.61 -35.26 79.76 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.03 -42.08 93.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.844 -0.535 . . . . 0.0 110.27 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.15 -39.95 92.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.057 -1.027 . . . . 0.0 109.935 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' OE1' ' NE ' ' A' ' 20' ' ' ARG . 98.9 mt-10 -67.18 -39.03 86.36 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.248 -0.907 . . . . 0.0 110.011 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.653 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.9 tt -63.97 -48.76 75.21 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.741 -1.225 . . . . 0.0 108.946 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -74.22 -44.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.469 -0.769 . . . . 0.0 111.209 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -69.03 -38.9 79.44 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.943 -1.098 . . . . 0.0 112.258 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -98.27 -35.44 10.34 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 6.8 tp10 -92.33 -20.71 20.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.454 -1.404 . . . . 0.0 110.664 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.76 28.15 8.6 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.567 -0.708 . . . . 0.0 109.457 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 44' ' ' LEU . 5.2 t -69.43 -60.74 2.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.04 -1.037 . . . . 0.0 111.067 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.47 -41.51 55.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 110.625 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.96 -26.29 64.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 0.0 111.091 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 41' ' ' SER . 4.6 tp -139.56 162.61 34.66 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.781 -1.199 . . . . 0.0 108.384 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 53.5 tp10 -60.7 115.05 3.35 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.983 -1.073 . . . . 0.0 109.494 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.67 144.68 42.56 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.539 0.685 . . . . 0.0 109.781 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.408 HG21 HG23 ' A' ' 53' ' ' VAL . 6.0 mm -81.9 140.07 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -105.64 -17.92 14.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.89 . . . . 0.0 110.679 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -138.6 152.45 48.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.178 -0.951 . . . . 0.0 111.238 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.65 -20.47 63.59 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.18 -39.94 95.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.873 . . . . 0.0 110.616 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.81 -40.01 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.893 -1.129 . . . . 0.0 108.651 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG23 HG21 ' A' ' 47' ' ' ILE . 58.4 t -67.6 -35.17 72.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.076 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.42 -37.83 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 109.566 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.78 -40.03 88.01 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' X' ' 105' ' ' HIS . 24.9 t -62.68 -34.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.3 mmm -69.95 -29.44 66.58 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.349 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -56.98 -36.58 70.52 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -78.71 -47.48 16.81 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.348 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 34.6 mt -89.0 -11.76 43.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.958 -1.089 . . . . 0.0 111.033 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -79.28 59.41 2.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -57.91 -39.23 77.43 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -74.93 -9.98 59.05 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.28 -0.888 . . . . 0.0 108.794 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.28 30.08 76.44 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -106.51 2.61 26.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.194 -1.18 . . . . 0.0 110.356 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.529 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.02 3.88 89.53 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.81 131.53 35.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.37 130.13 46.43 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -74.39 170.19 16.14 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.025 -1.047 . . . . 0.0 109.724 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.457 ' CE2' HG23 ' B' ' 82' ' ' THR . 3.2 t80 -49.76 -40.0 39.62 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.358 -0.839 . . . . 0.0 108.751 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -62.44 -48.36 80.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.53 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 31.8 mt-10 -60.01 -40.09 88.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.916 -1.115 . . . . 0.0 110.219 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.87 -33.79 76.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 109.321 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.466 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.6 OUTLIER -60.03 -38.53 82.99 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 109.828 -178.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.77 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.833 -1.167 . . . . 0.0 111.584 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 80' ' ' VAL . 92.9 t80 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.814 -1.179 . . . . 0.0 110.99 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -74.13 -32.8 33.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -178.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -67.6 -40.65 84.74 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.869 -1.144 . . . . 0.0 109.888 -179.196 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 ptm -72.0 -43.09 65.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.032 -1.043 . . . . 0.0 110.859 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 76' ' ' PHE . 65.1 t -59.98 -38.12 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.524 -1.36 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.516 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 89.0 m -57.29 -37.53 72.56 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' CE2' ' B' ' 70' ' ' PHE . 3.6 m -54.52 -40.48 68.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.44 88.25 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.3 -34.54 68.82 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.45 -0.781 . . . . 0.0 108.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.01 -40.43 89.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.062 -1.024 . . . . 0.0 109.025 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.05 -40.76 90.51 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.427 -0.909 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -72.04 -37.56 69.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.0 109.183 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.01 60.85 6.05 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.58 105.76 1.6 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.106 -0.996 . . . . 0.0 109.083 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -60.01 -39.95 87.58 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--N 1.302 -1.475 0 O-C-N 121.799 -0.563 . . . . 0.0 . 179.352 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.447 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 1.3 t 62.31 14.05 6.47 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.284 -0.885 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.29 10.22 2.14 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.0 -39.98 87.65 Favored 'General case' 0 C--O 1.199 -1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.222 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.05 -39.95 60.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.88 -1.138 . . . . 0.0 110.343 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -69.75 -34.79 74.29 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 121.334 -0.854 . . . . 0.0 109.31 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.37 75.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.555 -0.716 . . . . 0.0 112.152 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.516 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 26.1 mmm -66.56 -40.03 88.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.221 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.4 t -68.5 -34.88 67.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.638 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.667 -0.646 . . . . 0.0 111.601 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.596 -1.315 . . . . 0.0 107.758 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.44 -39.51 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.822 -0.549 . . . . 0.0 111.359 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.38 -42.25 92.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.69 -1.256 . . . . 0.0 112.028 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -41.7 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 120.819 -1.176 . . . . 0.0 110.042 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.545 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 62.8 t80 -59.02 -39.17 81.08 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.243 -0.91 . . . . 0.0 108.668 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.15 -35.61 79.3 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.529 -0.732 . . . . 0.0 111.124 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -59.82 -40.03 87.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 0.0 111.214 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.3 -26.25 18.21 Favored 'General case' 0 N--CA 1.51 2.575 0 O-C-N 120.566 -1.334 . . . . 0.0 111.612 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 73.6 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.996 -1.065 . . . . 0.0 109.592 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.43 43.36 3.03 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.522 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 13.2 mmt180 -79.93 -69.97 0.55 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.163 -1.198 . . . . 0.0 110.413 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -107.45 -12.68 15.26 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.439 -0.788 . . . . 0.0 110.339 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.18 -11.83 2.55 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.796 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' B' ' 26' ' ' LYS . 11.5 m-20 -80.68 72.57 7.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.558 -1.554 . . . . 0.0 108.704 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.01 -45.96 66.13 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.535 0.683 . . . . 0.0 110.177 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -88.93 -2.05 58.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.566 -0.709 . . . . 0.0 110.753 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 23' ' ' ASP . 3.8 ttmp? -139.34 148.64 43.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.065 -1.022 . . . . 0.0 108.91 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -119.86 125.67 49.08 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' B' ' 30' ' ' SER . 64.8 tttm -93.51 149.12 21.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 0.0 109.3 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -45.83 -22.11 0.17 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 85.4 p -75.63 -48.92 20.11 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.09 -41.92 93.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.761 -0.587 . . . . 0.0 110.201 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.992 -1.068 . . . . 0.0 109.946 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.522 ' OE1' ' NE ' ' B' ' 20' ' ' ARG . 98.7 mt-10 -67.32 -38.54 85.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.311 -0.868 . . . . 0.0 110.063 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.663 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.7 tt -64.43 -48.49 75.13 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.782 -1.199 . . . . 0.0 109.0 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.39 -44.59 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.494 -0.754 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -68.72 -39.3 80.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 112.352 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -98.27 -35.14 10.44 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.212 -0.93 . . . . 0.0 113.464 -176.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.9 tp10 -92.3 -20.75 20.8 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.495 -1.378 . . . . 0.0 110.664 -177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 35.5 mt -118.21 28.68 8.22 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.603 -0.686 . . . . 0.0 109.357 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' LEU . 5.6 t -69.52 -60.53 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -0.973 . . . . 0.0 110.985 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -75.75 -41.29 53.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.035 -1.041 . . . . 0.0 110.628 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 7.9 t80 -69.96 -26.44 64.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 111.05 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' SER . 4.8 tp -139.47 162.41 35.13 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.854 -1.154 . . . . 0.0 108.33 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.412 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 tp10 -60.87 115.32 3.6 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.951 -1.093 . . . . 0.0 109.5 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.66 144.67 42.51 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.406 HG21 HG23 ' B' ' 53' ' ' VAL . 5.5 mm -81.85 140.02 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -105.57 -17.8 14.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.237 -0.914 . . . . 0.0 110.707 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -138.95 152.45 47.71 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.107 -0.996 . . . . 0.0 111.27 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.47 -20.61 63.74 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.13 -40.08 95.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.202 -0.936 . . . . 0.0 110.543 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.72 -39.96 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.93 -1.107 . . . . 0.0 108.64 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.406 HG23 HG21 ' B' ' 47' ' ' ILE . 52.1 t -67.82 -34.91 70.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.034 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -66.04 -38.34 88.14 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.674 0.75 . . . . 0.0 109.612 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.93 -39.98 87.49 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.53 -34.77 66.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.1 mmm -70.07 -29.17 66.1 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.353 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.02 -36.61 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -78.82 -47.36 16.79 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 32.6 mt -88.91 -12.0 42.94 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.982 -1.074 . . . . 0.0 111.057 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -79.32 59.41 2.84 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -57.9 -38.93 76.71 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.09 -10.01 59.07 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.11 30.14 76.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 44.2 p-10 -106.57 2.79 26.37 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.137 -1.214 . . . . 0.0 110.373 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.514 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.95 3.73 89.43 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 29.9 mt-10 -135.8 131.49 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.35 130.1 46.41 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -74.3 170.0 16.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.03 -1.044 . . . . 0.0 109.7 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.46 ' CE2' HG23 ' A' ' 82' ' ' THR . 3.2 t80 -49.74 -40.04 39.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.282 -0.886 . . . . 0.0 108.757 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -62.31 -48.41 79.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.306 -0.871 . . . . 0.0 110.534 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 31.9 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.956 -1.09 . . . . 0.0 110.205 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.89 -33.82 76.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.018 . . . . 0.0 109.354 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.427 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -60.0 -38.4 82.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.15 70.13 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.819 -1.175 . . . . 0.0 111.611 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.446 ' O ' HG23 ' B' ' 80' ' ' VAL . 92.3 t80 -68.7 -29.56 68.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.845 -1.159 . . . . 0.0 111.104 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -74.64 -32.42 29.22 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -67.79 -40.61 83.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.775 -1.203 . . . . 0.0 109.833 -179.281 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.424 ' H ' ' HG2' ' B' ' 79' ' ' MET . 20.2 ptm -71.9 -43.15 65.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.04 -1.038 . . . . 0.0 110.955 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 76' ' ' PHE . 62.9 t -60.03 -37.94 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.533 -1.354 . . . . 0.0 109.391 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.538 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 91.1 m -57.38 -37.9 73.4 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.457 HG23 ' CE2' ' A' ' 70' ' ' PHE . 3.6 m -54.09 -40.38 67.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.3 85.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.127 -0.983 . . . . 0.0 108.656 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.52 -34.68 69.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.122 -0.986 . . . . 0.0 108.905 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.99 -41.29 91.72 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.86 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.9 -37.57 70.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.496 -0.753 . . . . 0.0 109.284 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.09 60.97 6.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.72 105.82 1.67 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.121 -0.987 . . . . 0.0 109.123 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.702 -0.624 . . . . 0.0 . 179.413 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -79.53 70.48 6.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 63.7 mt 48.59 -149.0 0.2 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.335 -0.853 . . . . 0.0 109.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -171.07 90.76 0.14 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.38 -0.825 . . . . 0.0 109.412 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 63.0 m -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.986 . . . . 0.0 108.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.28 142.25 47.2 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.18 131.13 1.2 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -154.58 158.92 40.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -1.171 . . . . 0.0 109.803 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.486 ' O ' ' N ' ' X' ' 104' ' ' ARG . 67.1 m -60.1 -38.32 82.59 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.271 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 15.7 m -45.73 -28.36 1.01 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.003 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 46.6 t -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' X' ' 101' ' ' SER . 0.4 OUTLIER -60.0 -42.81 95.08 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.427 -0.795 . . . . 0.0 109.42 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 56' ' ' VAL . 42.4 t60 -60.09 -37.12 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.053 -1.029 . . . . 0.0 108.765 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.06 -28.19 67.57 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.426 -0.796 . . . . 0.0 108.863 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -39.97 87.33 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.502 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 6.5 tp -72.87 -27.4 61.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.5 0.667 . . . . 0.0 110.081 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.491 ' O ' ' N ' ' X' ' 112' ' ' THR . 21.9 mmt -56.33 -24.51 44.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.367 -1.458 . . . . 0.0 109.811 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' X' ' 109' ' ' MET . 3.4 p90 -42.85 -39.5 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.997 -1.065 . . . . 0.0 109.93 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.502 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 16.3 mtmt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.571 -1.33 . . . . 0.0 108.586 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.491 ' N ' ' O ' ' X' ' 109' ' ' MET . 69.8 p -61.64 -28.44 69.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.609 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.445 -0.785 . . . . 0.0 . 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -79.44 70.1 5.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.831 . . . . 0.0 109.359 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 68.1 mt 49.01 -149.34 0.21 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.3 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -170.89 90.77 0.15 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.389 -0.819 . . . . 0.0 109.413 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.02 -39.96 87.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 109.07 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.53 142.22 46.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.02 -39.97 87.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.141 -0.975 . . . . 0.0 109.936 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.3 130.74 1.16 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -154.09 158.64 40.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.226 -1.161 . . . . 0.0 109.744 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.472 ' O ' ' N ' ' Y' ' 104' ' ' ARG . 56.9 m -59.98 -37.91 81.03 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.445 -0.784 . . . . 0.0 109.24 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 18.2 m -45.91 -28.32 1.09 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.399 -0.813 . . . . 0.0 108.984 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -59.96 -40.02 87.61 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' Y' ' 101' ' ' SER . 0.5 OUTLIER -60.01 -42.81 95.11 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.482 -0.761 . . . . 0.0 109.436 179.576 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -59.99 -37.2 78.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.125 -0.984 . . . . 0.0 108.717 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.96 -28.28 67.52 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.393 -0.817 . . . . 0.0 108.937 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.04 -39.93 87.65 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.515 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 6.7 tp -72.64 -27.68 62.28 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.484 ' O ' ' N ' ' Y' ' 112' ' ' THR . 23.0 mmt -56.29 -24.43 43.21 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.403 -1.436 . . . . 0.0 109.787 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' Y' ' 109' ' ' MET . 3.4 p90 -42.85 -39.55 2.56 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.99 -1.069 . . . . 0.0 109.922 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.515 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 16.4 mtmt -70.02 -40.5 75.16 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.643 -1.285 . . . . 0.0 108.576 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' Y' ' 109' ' ' MET . 81.8 p -60.12 -29.91 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.69 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 . 179.613 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 63.48 16.74 9.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.302 -0.874 . . . . 0.0 109.617 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.81 7.47 0.36 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.629 0.728 . . . . 0.0 109.248 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -60.08 -33.12 71.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.404 -0.81 . . . . 0.0 111.079 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -59.99 -39.89 87.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.705 -1.247 . . . . 0.0 111.043 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -31.61 58.03 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.734 -1.229 . . . . 0.0 109.807 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.64 73.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 111.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 mtt -65.69 -39.98 91.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.887 -1.133 . . . . 0.0 109.374 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.452 HG13 ' CE2' ' B' ' 88' ' ' PHE . 70.2 t -66.74 -35.19 74.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.83 79.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.558 -1.339 . . . . 0.0 108.08 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.73 -39.36 80.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.757 -0.589 . . . . 0.0 111.053 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.04 -41.11 95.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 111.907 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -73.96 -39.92 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.015 -1.053 . . . . 0.0 110.166 -178.809 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 81.0 t80 -60.01 -39.38 85.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 109.288 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -68.11 -26.47 65.82 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -59.97 -44.22 94.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.649 -1.282 . . . . 0.0 109.924 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' HH21 ' A' ' 20' ' ' ARG . 77.0 m-85 -91.0 -39.93 11.95 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.021 -1.049 . . . . 0.0 112.09 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 52.6 m -60.95 -39.97 91.54 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.964 -1.085 . . . . 0.0 111.803 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.89 89.6 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 HH22 ' CA ' ' A' ' 31' ' ' GLU . 4.7 ttm180 -59.97 -49.99 75.5 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.745 -0.856 . . . . 0.0 110.572 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.91 1.29 42.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.336 -0.852 . . . . 0.0 110.454 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.0 61.95 Favored Glycine 0 N--CA 1.496 2.671 0 O-C-N 121.19 -0.944 . . . . 0.0 110.747 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 15.3 m-20 -82.25 73.76 9.27 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.429 -1.63 . . . . 0.0 107.915 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -68.58 -41.75 79.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.486 -0.759 . . . . 0.0 110.391 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -91.06 -1.38 57.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.333 -0.854 . . . . 0.0 110.438 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 ttmt -143.49 147.51 34.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 109.305 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.81 130.42 52.35 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.807 . . . . 0.0 108.881 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 30' ' ' SER . 50.8 mtmt -96.08 153.54 17.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.812 -1.18 . . . . 0.0 110.256 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -49.79 -23.09 1.66 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 48.7 m -73.19 -55.34 6.59 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CA ' HH22 ' A' ' 20' ' ' ARG . 38.9 mt-10 -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.0 -41.1 91.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.883 -0.511 . . . . 0.0 109.943 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.12 -39.93 87.96 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.067 -1.021 . . . . 0.0 110.731 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.43 76.81 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 109.155 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLU . 6.0 tt -62.88 -51.16 68.05 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.076 -1.015 . . . . 0.0 109.405 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -70.37 -45.68 74.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 111.168 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.83 -39.97 91.05 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.967 -1.083 . . . . 0.0 110.458 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -100.95 -32.99 10.38 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' LEU . 66.9 tt0 -92.26 -14.63 28.61 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.183 -1.573 . . . . 0.0 109.99 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 HD23 ' B' ' 3' ' ' LEU . 54.5 mt -131.0 49.54 2.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.42 -0.8 . . . . 0.0 109.315 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 95.3 p -77.28 -68.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.19 -0.944 . . . . 0.0 109.866 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.424 ' N ' ' OG ' ' A' ' 41' ' ' SER . 17.9 p-80 -86.77 -11.12 51.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 109.185 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -63.53 -46.54 85.53 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 44' ' ' LEU . 1.4 pp -158.15 -168.02 2.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.747 -1.221 . . . . 0.0 110.5 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' ND1' ' X' ' 105' ' ' HIS . 86.7 tt0 -52.8 98.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.922 0.867 . . . . 0.0 110.391 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.85 153.69 32.41 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.536 HG21 HG23 ' A' ' 53' ' ' VAL . 34.9 mm -77.6 142.26 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 109.894 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -10.68 12.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.656 -0.652 . . . . 0.0 110.002 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.0 tp10 -159.96 157.1 28.26 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.915 -1.116 . . . . 0.0 109.925 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.561 -0.712 . . . . 0.0 110.782 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.6 pt-20 -60.0 -36.74 77.86 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 110.797 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' NE2' ' X' ' 105' ' ' HIS . 60.0 t -62.51 -40.01 86.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 120.942 -1.099 . . . . 0.0 108.8 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.536 HG23 HG21 ' A' ' 47' ' ' ILE . 56.7 t -63.95 -39.45 85.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.827 -0.545 . . . . 0.0 109.558 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.58 -38.05 89.63 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.498 -0.751 . . . . 0.0 109.972 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -66.39 -39.99 89.39 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 t -66.09 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.9 mmm -71.13 -26.87 63.2 Favored 'General case' 0 C--O 1.2 -1.529 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.647 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.95 -39.94 87.28 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 119.912 -1.742 . . . . 0.0 106.457 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -79.72 -43.27 22.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.34 0.59 . . . . 0.0 111.024 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.2 tp -87.45 -16.07 35.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 110.992 -177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.33 61.92 4.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.77 -37.72 74.16 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 80.8 m-20 -73.89 -14.28 61.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 29.97 76.1 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 25.4 p-10 -106.23 3.21 27.54 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -1.164 . . . . 0.0 110.217 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.483 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.71 1.45 89.25 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.776 ' O ' 'CA ' ' A' ' 115' ' ' ' CA' . 87.6 mt-10 -138.43 141.23 39.53 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 12.9 p -108.61 128.82 55.17 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.062 -1.024 . . . . 0.0 109.506 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.45 160.27 32.7 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.354 0.597 . . . . 0.0 110.254 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.1 -39.96 30.23 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -67.36 -39.3 85.69 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.143 -0.973 . . . . 0.0 109.439 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' A' ' 63' ' ' ASP . 46.7 mt-10 -66.71 -42.9 85.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 109.962 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.435 -0.791 . . . . 0.0 110.056 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.2 mmm -59.98 -36.04 76.3 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.381 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.7 72.45 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.006 -1.059 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 40.2 t80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.965 -1.084 . . . . 0.0 108.846 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.486 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -62.07 -38.16 80.15 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-O 121.412 0.625 . . . . 0.0 109.404 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -61.61 -39.94 93.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.187 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.96 -42.06 58.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 76' ' ' PHE . 60.1 t -61.41 -39.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.188 -0.945 . . . . 0.0 109.608 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -39.8 87.11 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.6 m -52.42 -40.01 61.64 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' PHE . 35.3 m -59.85 -29.61 68.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.364 -0.835 . . . . 0.0 109.41 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -60.01 -40.42 89.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 41.8 mp0 -64.55 -37.03 86.14 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.141 -0.974 . . . . 0.0 110.043 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -93.25 -22.09 19.22 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.134 -0.979 . . . . 0.0 110.581 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 84' ' ' CYS . 39.7 t80 -87.29 -9.11 55.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 0.0 110.624 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 16.3 pt-20 -79.89 59.43 3.17 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.716 -1.24 . . . . 0.0 109.879 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -60.02 -39.73 86.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.977 -1.077 . . . . 0.0 108.281 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 C--N 1.302 -1.495 0 O-C-N 121.624 -0.672 . . . . 0.0 . -179.841 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.515 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 63.53 16.44 9.62 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -66.76 7.37 0.37 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.518 -0.739 . . . . 0.0 109.229 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.1 tp -59.99 -33.04 71.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 111.207 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.727 -1.233 . . . . 0.0 110.936 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -31.28 58.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.78 -1.2 . . . . 0.0 109.892 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 0.0 111.551 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.445 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 29.8 mtt -66.09 -40.02 90.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.83 -1.169 . . . . 0.0 109.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.441 HG13 ' CE2' ' A' ' 88' ' ' PHE . 62.0 t -66.39 -35.62 75.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.04 81.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.596 -0.69 . . . . 0.0 111.553 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.94 -40.05 87.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.535 -1.353 . . . . 0.0 108.125 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.91 -38.96 79.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.785 -0.572 . . . . 0.0 111.065 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.48 -40.64 93.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.71 -1.244 . . . . 0.0 111.912 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -39.94 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.018 -1.051 . . . . 0.0 110.126 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.503 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 80.8 t80 -59.96 -39.39 85.48 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -0.872 . . . . 0.0 109.259 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.21 -26.34 65.67 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.161 -0.962 . . . . 0.0 110.793 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -60.02 -44.2 94.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.594 -1.316 . . . . 0.0 109.953 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.01 -40.1 11.84 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.923 -1.111 . . . . 0.0 112.014 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 53.2 m -60.74 -40.06 91.02 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.96 -1.088 . . . . 0.0 111.814 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.44 -5.74 89.66 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.415 HH22 ' CA ' ' B' ' 31' ' ' GLU . 5.1 ttm180 -59.92 -50.03 75.37 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.763 -0.845 . . . . 0.0 110.601 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -99.95 1.18 42.45 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.392 -0.818 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -14.01 61.73 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -82.27 73.8 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.414 -1.639 . . . . 0.0 107.843 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -68.57 -41.57 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.449 -0.782 . . . . 0.0 110.391 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -91.29 -1.37 57.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.424 -0.797 . . . . 0.0 110.45 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -143.48 147.47 34.58 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.094 -1.004 . . . . 0.0 109.206 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.9 tp -124.72 130.56 52.64 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.373 -0.83 . . . . 0.0 108.849 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 30' ' ' SER . 51.0 mtmt -96.18 153.46 17.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.766 -1.209 . . . . 0.0 110.367 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -49.74 -23.23 1.69 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 23.3 m -73.44 -54.94 7.07 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.415 ' CA ' HH22 ' B' ' 20' ' ' ARG . 39.0 mt-10 -60.83 -34.31 74.37 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.02 -41.17 91.61 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.94 -0.475 . . . . 0.0 109.849 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 86.8 tttt -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.12 -0.987 . . . . 0.0 110.708 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' B' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.44 76.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.525 -1.359 . . . . 0.0 109.08 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 39' ' ' GLU . 6.1 tt -62.96 -50.67 69.88 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.075 -1.015 . . . . 0.0 109.52 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.89 -45.63 72.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.365 -0.835 . . . . 0.0 110.974 -177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' B' ' 33' ' ' LYS . 5.7 m120 -60.84 -40.08 91.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.925 -1.109 . . . . 0.0 110.464 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -100.86 -33.02 10.39 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 35' ' ' LEU . 62.6 tt0 -92.16 -14.97 28.27 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.079 -1.638 . . . . 0.0 110.08 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.425 HD21 HD23 ' A' ' 3' ' ' LEU . 61.6 mt -130.69 49.37 2.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.491 -0.756 . . . . 0.0 109.278 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 87.6 p -77.1 -68.42 0.61 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.193 -0.942 . . . . 0.0 109.847 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.421 ' N ' ' OG ' ' B' ' 41' ' ' SER . 17.6 p-80 -86.87 -10.8 52.55 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.233 -0.917 . . . . 0.0 109.207 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -63.91 -46.2 85.9 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.438 ' C ' HD12 ' B' ' 44' ' ' LEU . 1.4 pp -158.31 -168.05 2.36 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.782 -1.199 . . . . 0.0 110.502 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.53 ' OE2' ' ND1' ' Y' ' 105' ' ' HIS . 86.5 tt0 -52.76 98.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.911 0.862 . . . . 0.0 110.383 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -62.81 153.91 31.5 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.537 HG21 HG23 ' B' ' 53' ' ' VAL . 32.4 mm -77.88 142.3 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.866 -1.146 . . . . 0.0 109.83 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -10.52 12.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.724 -0.61 . . . . 0.0 109.995 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.0 tp10 -159.94 156.95 28.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 109.927 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.99 -34.46 73.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.508 -0.745 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -59.99 -36.54 77.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.139 -0.976 . . . . 0.0 110.943 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.624 HG22 ' NE2' ' Y' ' 105' ' ' HIS . 61.8 t -62.74 -39.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 120.925 -1.109 . . . . 0.0 108.784 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.537 HG23 HG21 ' B' ' 47' ' ' ILE . 53.4 t -63.77 -39.6 86.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.479 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.38 -38.0 89.45 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.521 -0.737 . . . . 0.0 109.99 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -66.46 -39.94 89.11 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.17 -32.02 56.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.6 mmm -71.2 -26.82 63.11 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.664 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -59.95 -39.95 87.35 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 119.952 -1.717 . . . . 0.0 106.464 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.0 m -79.69 -43.13 23.28 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.336 0.589 . . . . 0.0 111.068 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -87.68 -15.91 35.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 111.008 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -80.39 62.01 4.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.76 -37.97 74.58 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 79.9 m-20 -74.01 -13.7 60.91 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.0 76.36 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 25.2 p-10 -106.27 3.46 27.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.257 -1.143 . . . . 0.0 110.218 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.531 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.37 1.36 88.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 88.4 mt-10 -138.09 141.05 40.25 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.9 p -108.46 128.84 55.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.015 -1.053 . . . . 0.0 109.496 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.54 160.23 32.86 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.349 0.595 . . . . 0.0 110.326 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.06 -40.01 29.78 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.41 -38.99 85.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.103 -0.998 . . . . 0.0 109.485 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD2' ' B' ' 63' ' ' ASP . 46.4 mt-10 -67.07 -42.9 83.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.873 -1.142 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.58 -34.48 78.35 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.432 -0.793 . . . . 0.0 110.06 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.93 -35.93 75.98 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.413 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.85 72.62 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.027 -1.045 . . . . 0.0 110.836 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 40.1 t80 -59.94 -39.96 87.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.962 -1.086 . . . . 0.0 108.831 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.444 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -62.01 -38.34 80.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.481 0.658 . . . . 0.0 109.427 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.8 t -61.63 -40.03 93.42 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.1 mtp -74.94 -41.87 58.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.196 -0.94 . . . . 0.0 110.922 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 76' ' ' PHE . 61.5 t -61.49 -40.0 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.476 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.82 87.09 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.474 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.4 m -52.44 -39.93 61.61 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.6 m -59.82 -29.75 68.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.516 -0.74 . . . . 0.0 109.483 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -40.42 89.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.781 -1.199 . . . . 0.0 109.355 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.474 ' OE1' ' O ' ' B' ' 82' ' ' THR . 42.0 mp0 -64.48 -37.22 86.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.23 -0.919 . . . . 0.0 110.013 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.17 -22.02 19.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.099 -1.001 . . . . 0.0 110.628 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' B' ' 84' ' ' CYS . 40.1 t80 -87.37 -8.99 55.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.106 -0.997 . . . . 0.0 110.576 -178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.93 59.31 3.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.709 -1.244 . . . . 0.0 109.904 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -60.0 -39.53 86.07 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.044 -1.035 . . . . 0.0 108.331 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 C--N 1.302 -1.488 0 C-N-CA 120.059 -0.656 . . . . 0.0 . -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -90.37 10.1 26.34 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.296 -0.878 . . . . 0.0 109.832 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.19 132.13 52.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.094 -1.004 . . . . 0.0 109.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -90.02 -79.84 0.33 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 0.0 109.634 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 94.2 p -155.81 176.08 13.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.203 -0.936 . . . . 0.0 109.513 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -69.54 152.86 44.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.34 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.01 -41.66 92.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.261 -0.9 . . . . 0.0 110.333 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.16 -159.69 32.4 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.07 152.83 24.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.353 -1.086 . . . . 0.0 109.96 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.426 ' O ' ' N ' ' X' ' 103' ' ' SER . 63.8 m -57.67 -24.84 58.8 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 71.1 p -43.11 -24.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.737 -0.602 . . . . 0.0 109.777 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.426 ' N ' ' O ' ' X' ' 101' ' ' SER . 47.2 t -51.2 -28.31 11.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 108.914 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -59.99 -40.01 87.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 108.598 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.593 ' NE2' HG22 ' A' ' 52' ' ' VAL . 9.0 m-70 -54.5 -32.7 58.49 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.06 -31.02 69.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -40.02 83.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.876 -1.14 . . . . 0.0 108.257 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.0 OUTLIER -76.68 -24.61 53.2 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.267 -0.895 . . . . 0.0 109.216 178.404 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.83 -24.62 64.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.064 -1.647 . . . . 0.0 109.869 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.4 p90 -45.02 -45.68 10.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.959 -1.088 . . . . 0.0 109.982 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 6.7 pttt -69.95 -34.84 73.96 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.294 -0.879 . . . . 0.0 109.146 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' X' ' 111' ' ' LYS . 94.4 m -61.42 -40.01 92.86 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.313 -0.867 . . . . 0.0 108.722 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 0.0 . 179.423 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -90.07 10.04 25.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 109.78 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.15 132.2 53.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.019 -1.051 . . . . 0.0 109.285 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -90.0 -79.72 0.33 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 109.651 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 95.3 p -155.92 176.13 13.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -69.53 152.84 44.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.889 . . . . 0.0 109.298 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.03 -41.66 92.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.278 -0.889 . . . . 0.0 110.259 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.09 -159.73 32.06 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.89 152.88 24.3 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.323 -1.104 . . . . 0.0 109.974 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.432 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.8 m -57.8 -24.83 59.14 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 74.9 p -43.26 -24.82 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.738 -0.601 . . . . 0.0 109.76 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.432 ' N ' ' O ' ' Y' ' 101' ' ' SER . 47.1 t -51.11 -28.33 10.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.248 -0.907 . . . . 0.0 108.889 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.96 -40.04 87.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' NE2' HG22 ' B' ' 52' ' ' VAL . 8.4 m-70 -54.52 -32.61 58.46 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.004 -1.06 . . . . 0.0 108.173 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.94 -31.29 69.72 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.95 83.08 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.246 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.0 OUTLIER -76.77 -24.55 52.9 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.281 -0.887 . . . . 0.0 109.215 178.475 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.1 mmt -59.85 -24.57 64.32 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.079 -1.638 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.4 p90 -45.13 -45.58 11.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.0 109.964 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.568 ' NZ ' ' CZ ' ' B' ' 76' ' ' PHE . 6.5 pttt -69.81 -35.88 75.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.336 -0.853 . . . . 0.0 109.055 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' Y' ' 111' ' ' LYS . 92.9 m -60.12 -40.0 88.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.98 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 . 179.547 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . 0.776 'CA ' ' O ' ' A' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 55.91 15.77 1.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 109.017 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 5' ' ' LYS . 99.5 mt-10 -73.99 -2.6 24.84 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.461 HD23 HD21 ' B' ' 40' ' ' LEU . 56.5 tp -47.27 -22.27 0.38 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.698 -0.626 . . . . 0.0 109.954 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -70.27 -36.73 74.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.874 -1.141 . . . . 0.0 108.334 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' GLU . 32.6 ttpt -69.82 -39.93 76.19 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.676 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.0 80.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.314 -0.866 . . . . 0.0 111.364 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.469 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 46.0 mtt -65.33 -40.01 93.13 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.859 -1.151 . . . . 0.0 109.888 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.54 -38.83 82.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.192 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.16 86.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.875 -0.516 . . . . 0.0 111.438 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -59.93 -39.95 87.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.848 -1.157 . . . . 0.0 108.146 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.03 -39.14 76.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.795 -0.566 . . . . 0.0 110.5 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.53 -44.55 95.95 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.695 -1.253 . . . . 0.0 111.003 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -35.04 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.141 -0.974 . . . . 0.0 109.407 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -58.29 -39.86 80.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.633 -1.292 . . . . 0.0 108.567 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.97 -21.61 63.23 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.317 -0.864 . . . . 0.0 109.178 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.99 -44.64 94.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.257 -0.902 . . . . 0.0 110.427 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -96.09 -36.85 10.85 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.706 -1.246 . . . . 0.0 111.916 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -60.0 -43.33 95.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.737 -1.227 . . . . 0.0 110.538 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -15.19 80.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -61.13 -43.33 99.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.012 -1.287 . . . . 0.0 108.785 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -113.49 157.0 22.55 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 121.597 0.713 . . . . 0.0 109.314 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.4 -29.45 23.37 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.543 -0.723 . . . . 0.0 111.687 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 26' ' ' LYS . 88.7 m-20 -71.2 56.71 0.22 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.506 -1.585 . . . . 0.0 109.714 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' GLY . 31.2 ttpt -61.98 -39.23 91.49 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.082 -1.011 . . . . 0.0 110.553 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -78.7 -10.1 59.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.03 -1.044 . . . . 0.0 111.793 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 23' ' ' ASP . 58.1 pttt -146.47 156.61 43.4 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.573 -1.329 . . . . 0.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.13 119.0 38.22 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 30' ' ' SER . 83.7 tttt -90.14 150.63 21.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.751 -1.218 . . . . 0.0 108.371 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.2 pttp -43.66 -23.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.246 -0.909 . . . . 0.0 108.929 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.7 t -75.56 -48.2 23.4 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' LYS . 44.3 mt-10 -66.09 -37.79 86.64 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.93 -40.3 88.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.864 -0.523 . . . . 0.0 109.951 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 110.095 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.62 -36.78 76.46 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.62 -49.96 73.14 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.723 -1.236 . . . . 0.0 108.702 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 36' ' ' ILE . 54.9 mt -71.51 -49.69 45.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 111.085 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 38' ' ' ASN . 21.2 t30 -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.231 -0.918 . . . . 0.0 111.743 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.447 ' OD1' ' ND2' ' A' ' 37' ' ' ASN . 10.7 m-20 -98.84 -34.94 10.28 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.244 -0.91 . . . . 0.0 113.281 -176.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -91.85 -21.66 20.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.352 -1.467 . . . . 0.0 109.563 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD21 HD23 ' B' ' 3' ' ' LEU . 57.6 mt -120.71 36.51 4.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.663 -0.648 . . . . 0.0 109.755 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -67.09 -71.58 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.332 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -80.66 -16.57 53.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.4 OUTLIER -60.04 -45.81 91.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.509 -0.744 . . . . 0.0 109.315 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -161.18 -157.3 0.5 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.587 -1.321 . . . . 0.0 110.565 -179.502 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE2' HD13 ' A' ' 47' ' ' ILE . 7.2 tm-20 -50.6 92.82 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.704 0.764 . . . . 0.0 111.222 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' LEU . 86.0 tt0 -63.32 148.33 48.63 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 HG23 ' A' ' 53' ' ' VAL . 30.5 mm -86.8 137.07 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.745 -1.222 . . . . 0.0 109.806 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.03 -24.47 10.76 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.374 -0.828 . . . . 0.0 108.798 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.9 144.48 51.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.612 -0.68 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -68.36 -18.95 64.6 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -60.53 -39.93 89.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.044 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' CG1' ' CD2' ' X' ' 105' ' ' HIS . 76.1 t -60.81 -39.98 83.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG23 HG21 ' A' ' 47' ' ' ILE . 51.4 t -62.22 -40.04 86.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 46.8 t0 -60.55 -40.02 90.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.564 0.697 . . . . 0.0 109.237 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.12 -40.4 95.76 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.83 -31.36 53.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.99 -31.68 69.5 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.768 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.07 -39.84 83.36 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -79.4 -46.3 17.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.898 -0.501 . . . . 0.0 111.091 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.1 mm? -88.91 -12.18 42.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.666 -1.271 . . . . 0.0 111.403 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.3 t0 -80.74 62.53 4.81 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.4 -39.74 80.53 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.126 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.77 -12.15 60.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.379 -0.825 . . . . 0.0 108.86 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.19 32.21 79.73 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 4.0 p30 -105.44 6.41 32.46 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.244 -1.15 . . . . 0.0 109.625 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.03 -1.41 88.81 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 65' ' ' ASP . 1.2 pp20? -140.58 138.33 34.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -97.64 129.68 44.71 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -76.45 168.97 19.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.783 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 8.1 t80 -51.31 -40.03 58.14 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -59.93 -50.07 75.19 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.255 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.83 -39.95 95.93 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.82 -32.02 73.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.037 -1.039 . . . . 0.0 109.384 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -59.98 -37.72 80.48 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -178.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.19 72.0 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.794 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -37.64 80.27 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.135 -0.978 . . . . 0.0 109.635 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.431 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.63 -34.89 70.79 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-O 121.422 0.63 . . . . 0.0 109.39 -179.381 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -63.13 -41.33 99.29 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.429 -0.794 . . . . 0.0 110.446 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.5 mtm -77.82 -40.42 40.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.911 -1.118 . . . . 0.0 111.298 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.73 -39.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.952 -1.092 . . . . 0.0 109.505 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.95 -38.44 82.46 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 5.5 m -56.17 -39.85 72.99 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.23 85.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 108.764 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 88' ' ' PHE . 38.1 t -60.01 -35.91 76.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.788 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.98 -39.31 85.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.077 . . . . 0.0 109.41 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -39.28 85.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.55 -24.9 17.79 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.104 -0.997 . . . . 0.0 109.684 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 84' ' ' CYS . 2.5 t80 -92.53 67.96 4.76 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -83.11 98.83 9.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.241 -0.912 . . . . 0.0 108.866 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.04 -39.95 90.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.577 -0.702 . . . . 0.0 110.445 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 . -179.456 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 15.69 2.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.006 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 5' ' ' LYS . 99.6 mt-10 -74.26 -2.68 25.99 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.479 HD23 HD21 ' A' ' 40' ' ' LEU . 55.8 tp -47.07 -22.71 0.38 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.753 -0.592 . . . . 0.0 109.96 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -70.02 -36.55 75.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.836 -1.165 . . . . 0.0 108.324 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 2' ' ' GLU . 33.5 ttpt -69.91 -40.04 75.84 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.184 0.516 . . . . 0.0 109.759 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.03 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 111.316 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.471 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 45.2 mtt -65.33 -40.02 93.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.808 -1.182 . . . . 0.0 109.785 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.45 -38.79 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-O 121.616 0.722 . . . . 0.0 109.325 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.25 86.74 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.871 -0.518 . . . . 0.0 111.388 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 108.108 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.82 -39.3 77.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.782 -0.574 . . . . 0.0 110.518 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.47 -44.71 95.61 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.727 -1.233 . . . . 0.0 110.996 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -35.17 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.15 -0.969 . . . . 0.0 109.415 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.17 -39.73 79.61 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.634 -1.291 . . . . 0.0 108.557 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -70.02 -21.65 63.18 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.35 -0.844 . . . . 0.0 109.141 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.93 -44.88 94.07 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.278 -0.889 . . . . 0.0 110.349 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -96.01 -36.79 10.91 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 120.827 -1.171 . . . . 0.0 111.93 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.2 p -60.04 -43.42 95.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 110.543 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 -14.64 81.29 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.48 -43.11 99.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.958 -1.319 . . . . 0.0 108.848 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.35 157.23 22.11 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 121.58 0.705 . . . . 0.0 109.306 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.45 -29.82 24.72 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.571 -0.706 . . . . 0.0 111.629 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 26' ' ' LYS . 89.4 m-20 -70.99 56.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.485 -1.597 . . . . 0.0 109.799 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' B' ' 22' ' ' GLY . 31.9 ttpt -62.07 -39.15 91.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.188 -0.945 . . . . 0.0 110.511 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -78.59 -10.19 59.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.017 -1.052 . . . . 0.0 111.743 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.8 pttt -146.56 156.58 43.34 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.604 -1.31 . . . . 0.0 110.245 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.06 119.03 38.33 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 30' ' ' SER . 84.1 tttt -90.37 150.47 21.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.807 -1.183 . . . . 0.0 108.386 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -43.55 -23.54 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.265 -0.897 . . . . 0.0 108.913 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 28' ' ' LYS . 41.5 t -75.33 -48.33 23.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.3 mt-10 -66.06 -37.84 86.84 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.96 -40.23 88.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.911 -0.493 . . . . 0.0 109.972 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 110.157 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.69 -36.53 76.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.741 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.7 -50.0 72.84 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.777 -1.202 . . . . 0.0 108.801 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.55 -49.62 45.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 111.086 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -60.98 -39.99 91.71 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.197 -0.939 . . . . 0.0 111.721 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -98.86 -35.05 10.23 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.219 -0.925 . . . . 0.0 113.226 -176.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.76 -21.54 20.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.362 -1.461 . . . . 0.0 109.623 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 3' ' ' LEU . 56.4 mt -120.77 36.59 4.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.711 -0.618 . . . . 0.0 109.626 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -67.11 -71.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 0.0 110.308 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -80.57 -16.6 53.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.396 -0.815 . . . . 0.0 109.998 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.469 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -60.03 -45.59 92.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.552 -0.717 . . . . 0.0 109.332 -179.105 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 46' ' ' GLU . 0.5 OUTLIER -161.35 -157.22 0.49 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.556 -1.34 . . . . 0.0 110.566 -179.561 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.458 ' OE2' HD13 ' B' ' 47' ' ' ILE . 7.2 tm-20 -50.85 93.05 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.196 -178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 44' ' ' LEU . 86.1 tt0 -63.3 148.35 48.53 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.562 HG21 HG23 ' B' ' 53' ' ' VAL . 30.1 mm -86.87 136.95 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.74 -1.225 . . . . 0.0 109.754 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -110.05 -24.4 10.78 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.87 144.4 51.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.59 -0.694 . . . . 0.0 109.343 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -68.28 -19.07 64.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -60.41 -39.9 89.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.526 -0.734 . . . . 0.0 109.981 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.83 -40.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.562 HG23 HG21 ' B' ' 47' ' ' ILE . 48.8 t -62.17 -40.06 86.23 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 47.4 t0 -60.52 -40.02 89.94 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.546 0.688 . . . . 0.0 109.207 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.03 -40.53 96.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -66.76 -31.29 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.567 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.5 mmm -70.03 -31.57 69.27 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.722 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -59.05 -39.82 83.19 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 119.927 -1.733 . . . . 0.0 106.41 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.3 m -79.56 -46.34 17.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.887 -0.508 . . . . 0.0 111.056 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -88.89 -11.93 43.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.669 -1.269 . . . . 0.0 111.356 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.97 62.51 4.98 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.147 -1.798 . . . . 0.0 106.147 177.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.37 -39.59 80.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.119 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.86 -12.35 60.15 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 108.813 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.26 32.37 80.47 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 4.0 p30 -105.64 6.31 31.92 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.237 -1.155 . . . . 0.0 109.585 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.24 -1.88 88.35 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' B' ' 67' ' ' GLU . 1.2 pp20? -140.14 138.61 35.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -1.044 . . . . 0.0 109.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -97.72 129.86 44.73 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.57 168.89 19.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.137 -0.977 . . . . 0.0 110.772 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.453 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 8.0 t80 -51.31 -39.78 57.64 Favored 'General case' 0 C--O 1.204 -1.34 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -60.03 -50.02 75.37 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.624 -0.672 . . . . 0.0 109.291 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.94 -31.74 72.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.073 -1.017 . . . . 0.0 109.457 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -60.03 -37.73 80.64 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.472 -0.767 . . . . 0.0 109.21 -178.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -33.04 71.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.1 -37.68 80.68 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.088 -1.007 . . . . 0.0 109.573 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.433 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -67.67 -34.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-O 121.466 0.651 . . . . 0.0 109.491 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.03 -41.28 99.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.448 -0.782 . . . . 0.0 110.378 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtm -77.91 -40.54 39.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.885 -1.134 . . . . 0.0 111.45 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.63 -39.82 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.903 -1.123 . . . . 0.0 109.391 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -60.07 -38.19 82.13 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -56.23 -39.76 73.02 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.29 85.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 108.844 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' B' ' 88' ' ' PHE . 38.4 t -59.92 -35.93 75.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.569 -0.707 . . . . 0.0 109.71 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.37 85.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.96 -1.088 . . . . 0.0 109.443 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -39.33 85.49 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -93.41 -24.99 17.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' B' ' 84' ' ' CYS . 2.4 t80 -92.53 67.98 4.76 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -82.99 98.86 9.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 108.833 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -66.12 -39.98 90.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.549 -0.719 . . . . 0.0 110.407 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 . -179.529 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -141.78 159.96 41.16 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.304 -0.872 . . . . 0.0 109.472 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.599 ' O ' HD12 ' X' ' 94' ' ' LEU . 0.3 OUTLIER -153.38 151.79 30.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 0.0 109.561 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' X' X ' 95' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' X' ' 95' ' ' LYS . 40.8 pttt -79.17 -38.69 35.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.454 -0.779 . . . . 0.0 109.357 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 53.6 p 45.18 54.41 7.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.387 -0.821 . . . . 0.0 109.968 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.39 121.23 16.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -161.73 161.65 29.38 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.71 139.19 17.65 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -119.86 146.5 45.68 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.413 -1.051 . . . . 0.0 110.305 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' X' ' 103' ' ' SER . 45.0 m -58.89 -24.82 62.74 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.401 ' C ' ' O ' ' X' ' 101' ' ' SER . 18.0 p -42.65 -24.79 0.07 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.452 ' N ' ' O ' ' X' ' 101' ' ' SER . 57.9 m -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' X' ' 101' ' ' SER . 10.8 mpt_? -65.25 -37.65 87.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.828 -1.17 . . . . 0.0 108.015 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.428 ' CD2' ' CG1' ' A' ' 52' ' ' VAL . 7.0 t-80 -58.18 -34.44 70.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -59.94 -30.31 68.98 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.04 -39.94 87.67 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.928 . . . . 0.0 108.76 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.99 -36.19 74.98 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.346 -0.846 . . . . 0.0 109.01 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 16.9 mmt -50.0 -24.38 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.828 -1.17 . . . . 0.0 109.563 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.9 p90 -46.77 -44.14 18.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.946 -1.096 . . . . 0.0 109.29 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.3 pttt -67.43 -34.52 77.4 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' X' ' 111' ' ' LYS . 59.3 p -65.28 -33.37 75.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.218 -0.926 . . . . 0.0 108.929 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.718 . . . . 0.0 . 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.165 0.507 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -141.81 159.98 41.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.604 ' O ' HD12 ' Y' ' 94' ' ' LEU . 0.3 OUTLIER -153.37 151.84 30.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 109.627 179.807 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' Y' ' 95' ' ' LYS . 40.7 pttt -79.43 -38.62 34.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.433 -0.792 . . . . 0.0 109.338 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 53.5 p 45.11 54.82 6.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.326 -0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -69.5 121.59 17.33 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -162.18 161.62 28.05 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.45 139.03 16.43 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -119.85 146.3 45.86 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.422 -1.046 . . . . 0.0 110.273 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.438 ' O ' ' N ' ' Y' ' 103' ' ' SER . 49.6 m -58.78 -24.81 62.35 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 19.1 p -42.81 -24.75 0.07 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.777 -0.577 . . . . 0.0 109.478 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.438 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.1 m -60.0 -40.01 87.71 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' Y' ' 101' ' ' SER . 10.8 mpt_? -65.3 -37.56 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.852 -1.155 . . . . 0.0 108.044 178.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.18 -34.46 70.35 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.168 -0.957 . . . . 0.0 108.744 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.69 -36.52 76.05 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.389 -0.819 . . . . 0.0 108.999 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 16.7 mmt -49.78 -24.43 2.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.838 -1.164 . . . . 0.0 109.682 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.528 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -46.63 -44.47 18.36 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.977 -1.077 . . . . 0.0 109.222 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.528 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.0 pttt -66.91 -35.81 80.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.335 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.1 p -63.65 -33.54 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.261 -0.9 . . . . 0.0 109.248 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.57 -0.706 . . . . 0.0 . 179.663 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 5.5 t 60.13 19.43 8.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.329 -0.857 . . . . 0.0 110.126 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.95 3.03 13.08 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -58.93 -24.79 62.85 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.879 -0.513 . . . . 0.0 109.877 -179.168 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.68 -40.07 94.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.627 -1.296 . . . . 0.0 109.221 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -68.79 -36.27 78.06 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.5 -0.75 . . . . 0.0 109.279 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.0 89.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.463 -0.773 . . . . 0.0 110.759 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.6 mtt -64.82 -40.17 94.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 109.407 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.7 -38.26 81.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.489 0.661 . . . . 0.0 109.245 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.68 94.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.761 -0.587 . . . . 0.0 111.376 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.651 -1.28 . . . . 0.0 108.3 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.53 -39.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.481 -0.762 . . . . 0.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -66.61 -40.39 88.8 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.809 -1.182 . . . . 0.0 111.753 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -39.73 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.93 -1.106 . . . . 0.0 109.558 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.97 -39.94 87.36 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 109.379 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -69.55 -22.21 63.57 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.276 -0.89 . . . . 0.0 109.773 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.717 -1.24 . . . . 0.0 109.832 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -93.19 -37.67 11.97 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 120.784 -1.197 . . . . 0.0 112.043 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -59.88 -39.96 87.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.141 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 -12.91 83.94 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.02 -1.282 . . . . 0.0 108.522 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -113.87 161.04 18.1 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.15 -14.48 0.85 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 120.444 -0.884 . . . . 0.0 110.949 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -74.55 62.91 1.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.754 -1.439 . . . . 0.0 109.488 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.98 -39.97 75.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.412 -0.805 . . . . 0.0 111.386 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -93.05 -0.02 57.22 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.973 -1.08 . . . . 0.0 110.701 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -146.95 170.27 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.894 -1.129 . . . . 0.0 109.24 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -134.62 129.46 34.95 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.7 tttp -96.22 146.98 24.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.714 -1.241 . . . . 0.0 109.894 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 52.8 pttt -42.04 -23.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.497 -0.752 . . . . 0.0 109.57 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 m -74.53 -50.16 19.16 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.26 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.46 -35.37 80.7 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.02 -42.95 95.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.797 -0.564 . . . . 0.0 109.636 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 87.1 tttt -60.21 -40.14 89.09 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.147 -0.971 . . . . 0.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 99.9 mt-10 -69.92 -30.71 68.18 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.964 -1.085 . . . . 0.0 109.088 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.693 ' C ' HD23 ' A' ' 35' ' ' LEU . 6.6 tt -69.89 -42.6 73.22 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.248 -0.907 . . . . 0.0 109.454 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -73.77 -49.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.365 -0.834 . . . . 0.0 112.373 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 33' ' ' LYS . 25.4 p30 -84.75 -24.45 28.81 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.321 -1.487 . . . . 0.0 112.888 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.404 ' OD1' ' OD1' ' A' ' 37' ' ' ASN . 2.8 m-20 -94.99 -35.71 11.86 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.56 -1.338 . . . . 0.0 110.991 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' B' ' 1' ' ' SER . 7.1 tp10 -88.86 -17.23 30.1 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.611 -1.306 . . . . 0.0 109.386 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.13 37.6 4.03 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -59.9 -50.25 74.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 110.862 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.35 -32.11 11.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.05 -1.031 . . . . 0.0 110.659 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.6 t80 -66.94 -34.7 78.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 110.73 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tp -134.81 159.99 39.61 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.5 111.33 1.36 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.109 -0.995 . . . . 0.0 108.591 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.54 155.43 33.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.458 -0.776 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.623 HD13 HH12 ' X' ' 104' ' ' ARG . 30.9 mm -79.8 140.05 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.99 -1.069 . . . . 0.0 108.714 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -20.68 13.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.506 -0.746 . . . . 0.0 110.048 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.4 tp10 -139.78 139.46 36.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.308 -0.87 . . . . 0.0 108.67 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.2 -22.58 66.91 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.164 -0.96 . . . . 0.0 111.066 -178.725 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' N ' ' OE1' ' A' ' 50' ' ' GLN . 18.4 pt-20 -59.98 -38.91 83.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.677 -1.264 . . . . 0.0 109.427 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.15 -40.04 82.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.609 HG23 HG21 ' A' ' 47' ' ' ILE . 64.6 t -60.44 -40.0 82.84 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.28 -39.39 90.21 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 t -68.29 -31.19 50.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.9 mmm -69.88 -30.12 67.49 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.223 -0.991 . . . . 0.0 109.377 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.28 -40.04 84.84 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -84.11 -40.02 18.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.753 -0.592 . . . . 0.0 111.434 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 76' ' ' PHE . 58.5 tp -86.83 -19.0 29.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.106 -0.996 . . . . 0.0 110.129 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.4 t0 -80.69 66.29 6.15 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.43 -39.48 76.31 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.195 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -75.95 -15.95 60.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.265 -0.897 . . . . 0.0 108.621 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.63 31.86 77.17 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 32.9 p-10 -105.85 7.26 32.2 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.209 -1.171 . . . . 0.0 109.827 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.9 2.19 88.23 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 57.8 mt-10 -139.48 137.55 35.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.636 -0.92 . . . . 0.0 109.276 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.5 p -99.66 130.43 45.88 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.15 -0.969 . . . . 0.0 109.031 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 9.1 t70 -74.78 171.3 14.2 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.4 t80 -56.79 -39.94 75.0 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.034 -1.041 . . . . 0.0 109.371 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.13 -39.8 86.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.829 -1.169 . . . . 0.0 109.824 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' HD11 ' A' ' 60' ' ' LEU . 41.4 mt-10 -64.03 -42.55 97.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.919 -1.113 . . . . 0.0 110.145 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.97 -36.31 83.08 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.402 -0.811 . . . . 0.0 109.703 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.1 mmm -60.03 -37.76 80.73 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.788 -0.57 . . . . 0.0 110.517 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.12 72.77 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.792 -1.193 . . . . 0.0 111.233 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' HB2' HD13 ' A' ' 60' ' ' LEU . 59.9 t80 -62.12 -38.78 90.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.002 -1.061 . . . . 0.0 109.773 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.2 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 121.556 0.693 . . . . 0.0 110.074 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -63.99 -40.19 95.81 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.076 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 mtm -74.37 -40.65 61.96 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.951 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.46 -39.76 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.063 -1.023 . . . . 0.0 108.976 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -59.98 -39.94 87.4 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -53.14 -37.38 61.78 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.8 90.92 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' PHE . 19.4 t -59.99 -37.99 81.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 110.168 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.87 -40.87 90.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.824 -1.173 . . . . 0.0 108.238 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -80.61 -23.79 39.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.613 -0.679 . . . . 0.0 110.455 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -93.82 19.56 8.71 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 122.318 1.056 . . . . 0.0 108.231 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -92.39 -115.15 0.09 Allowed 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -71.8 -40.18 69.34 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 N--CA 1.49 1.529 0 CA-C-N 116.109 -0.496 . . . . 0.0 . 179.024 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.519 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 5.2 t 59.96 19.26 8.32 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.277 -0.889 . . . . 0.0 110.269 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.75 2.95 12.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.912 0.863 . . . . 0.0 109.043 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.671 ' C ' HD23 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -58.92 -24.53 62.51 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.937 -179.137 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.17 -40.0 93.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.638 -1.289 . . . . 0.0 109.05 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -68.72 -36.19 78.1 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.556 -0.715 . . . . 0.0 109.293 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.98 89.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.9 mtt -64.67 -39.94 94.54 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.389 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.25 -38.08 81.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.823 -0.548 . . . . 0.0 111.415 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.98 -40.03 87.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.514 -1.366 . . . . 0.0 108.286 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -67.77 -39.26 81.67 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 121.493 -0.755 . . . . 0.0 110.39 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.24 -40.58 90.33 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.716 -1.24 . . . . 0.0 111.92 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -39.69 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.976 -1.077 . . . . 0.0 109.578 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -39.89 87.26 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.312 -0.868 . . . . 0.0 109.301 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -69.6 -22.25 63.52 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.824 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.776 -1.203 . . . . 0.0 109.82 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -93.24 -37.5 12.03 Favored 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.818 -1.176 . . . . 0.0 112.146 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.2 t -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.844 -1.16 . . . . 0.0 110.017 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.68 -13.01 83.92 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 67.3 ttt180 -60.1 -45.14 93.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.239 . . . . 0.0 108.594 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.8 161.13 17.94 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.74 -15.01 0.79 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -74.43 63.1 1.04 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.644 -1.503 . . . . 0.0 109.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -70.12 -40.07 75.09 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.389 -0.819 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -92.86 -0.02 57.32 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.94 -1.1 . . . . 0.0 110.766 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.1 170.12 17.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.976 -1.077 . . . . 0.0 109.237 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.29 129.25 35.3 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' SER . 60.7 tttp -96.14 146.86 24.31 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.714 -1.241 . . . . 0.0 109.772 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 52.6 pttt -41.93 -23.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.671 0.748 . . . . 0.0 109.48 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 28' ' ' LYS . 50.6 m -74.55 -50.15 19.15 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.273 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.84 -34.89 79.19 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.97 -42.98 95.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.657 -0.652 . . . . 0.0 109.49 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 87.6 tttt -60.21 -40.02 88.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.271 -0.893 . . . . 0.0 110.711 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.475 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 99.7 mt-10 -70.02 -30.71 68.07 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.941 -1.1 . . . . 0.0 109.123 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.702 ' C ' HD23 ' B' ' 35' ' ' LEU . 6.6 tt -69.99 -42.43 73.09 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 121.214 -0.929 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.98 -49.05 35.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.344 -0.847 . . . . 0.0 112.31 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' B' ' 33' ' ' LYS . 25.4 p30 -84.78 -24.5 28.71 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.28 -1.513 . . . . 0.0 112.843 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -94.91 -35.86 11.85 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.537 -1.352 . . . . 0.0 111.018 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.8 tp10 -88.68 -17.6 29.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -128.72 37.75 4.05 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -60.08 -50.2 74.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.794 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.37 -32.09 11.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.618 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.7 t80 -66.96 -34.64 78.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.113 -0.992 . . . . 0.0 110.768 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.82 159.97 39.69 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.069 -1.019 . . . . 0.0 109.066 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.243 -0.91 . . . . 0.0 108.586 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.37 155.37 32.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.515 -0.74 . . . . 0.0 109.392 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.615 HG21 HG23 ' B' ' 53' ' ' VAL . 30.9 mm -79.78 140.02 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 O-C-N 120.955 -1.091 . . . . 0.0 108.761 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -20.33 13.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.027 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.1 tp10 -139.94 139.35 36.13 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.181 -0.949 . . . . 0.0 108.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -65.32 -22.28 66.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.108 -0.995 . . . . 0.0 111.126 -178.636 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 18.7 pt-20 -60.17 -38.93 84.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.647 -1.283 . . . . 0.0 109.24 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.07 -39.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.615 HG23 HG21 ' B' ' 47' ' ' ILE . 75.5 t -60.5 -39.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.12 -39.57 90.51 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -60.68 -41.01 94.23 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 t -68.21 -31.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.517 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.9 mmm -70.01 -30.28 67.55 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.323 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.09 -39.97 83.83 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.078 -1.639 . . . . 0.0 106.655 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -84.21 -39.97 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.793 -0.567 . . . . 0.0 111.419 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' B' ' 76' ' ' PHE . 57.0 tp -86.88 -18.98 29.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.116 -0.99 . . . . 0.0 110.139 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.5 t0 -80.83 66.44 6.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -57.7 -39.29 76.85 Favored 'General case' 0 C--N 1.288 -2.076 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.098 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -75.43 -16.83 60.3 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.12 31.65 75.26 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 33.1 p-10 -105.83 7.46 32.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.157 -1.202 . . . . 0.0 109.763 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.63 2.49 88.12 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 56.3 mt-10 -139.5 137.77 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.596 -0.943 . . . . 0.0 109.211 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 9.1 p -99.85 130.39 46.04 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.239 -0.913 . . . . 0.0 109.002 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 9.1 t70 -74.72 171.11 14.51 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.4 t80 -56.57 -40.03 74.49 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.094 -1.004 . . . . 0.0 109.22 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.3 -39.63 85.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.439 ' O ' HD11 ' B' ' 60' ' ' LEU . 40.8 mt-10 -64.07 -42.9 96.81 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.992 -1.068 . . . . 0.0 110.19 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.69 -36.44 82.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.472 -0.768 . . . . 0.0 109.758 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.95 -37.5 79.72 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.338 0.589 . . . . 0.0 110.486 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.781 -1.199 . . . . 0.0 111.075 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.47 ' HB2' HD13 ' B' ' 60' ' ' LEU . 60.0 t80 -62.11 -38.59 89.47 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.991 -1.068 . . . . 0.0 109.635 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.458 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.29 -39.85 82.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-O 121.547 0.689 . . . . 0.0 110.14 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -64.35 -40.03 95.06 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.947 -0.701 . . . . 0.0 111.133 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.0 mtm -74.52 -40.49 61.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.802 -1.159 . . . . 0.0 110.83 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.32 -39.91 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.131 -0.98 . . . . 0.0 109.098 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -39.95 87.49 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -53.08 -37.54 61.75 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.49 92.48 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' B' ' 88' ' ' PHE . 31.9 t -59.89 -37.45 79.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 110.22 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.0 -40.84 90.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.672 -1.268 . . . . 0.0 108.27 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.51 -39.47 91.1 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -80.75 -23.76 39.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER -93.89 19.42 8.97 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.366 1.079 . . . . 0.0 108.219 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -92.32 -115.07 0.09 Allowed 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -71.92 -39.95 69.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-N 116.133 -0.485 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.33 0.586 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -77.12 160.49 28.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.575 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.687 HD22 ' N ' ' X' ' 94' ' ' LEU . 2.8 mm? -79.55 155.39 28.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.201 -0.937 . . . . 0.0 109.565 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -97.55 95.01 7.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.198 -0.938 . . . . 0.0 109.504 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 85.6 p -72.04 -40.03 68.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 0.0 109.805 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -132.62 120.01 21.22 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.495 -0.753 . . . . 0.0 109.632 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -113.29 8.88 18.21 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.313 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.52 53.54 0.89 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.04 159.99 25.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -1.169 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.528 ' O ' ' N ' ' X' ' 103' ' ' SER . 84.7 p -49.95 -25.67 3.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.334 -0.853 . . . . 0.0 109.192 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.411 ' C ' ' O ' ' X' ' 101' ' ' SER . 13.8 t -40.29 -24.45 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.459 0.647 . . . . 0.0 109.669 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 101' ' ' SER . 64.3 m -52.86 -32.88 47.17 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.393 -0.817 . . . . 0.0 109.081 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.727 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.04 -40.44 89.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.214 -0.929 . . . . 0.0 109.182 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.727 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 48.9 t-80 -61.53 -39.99 93.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.06 -1.025 . . . . 0.0 109.102 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.04 -30.34 69.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 109.5 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -59.81 -40.06 87.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.149 -0.97 . . . . 0.0 108.404 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 tp -73.85 -26.79 60.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.337 -0.852 . . . . 0.0 109.686 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.606 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -58.35 -24.41 59.68 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.395 -1.441 . . . . 0.0 110.274 -179.529 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -40.66 -41.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.085 -1.01 . . . . 0.0 109.177 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 19.3 pttt -69.97 -36.69 75.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.805 -0.559 . . . . 0.0 109.542 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.504 ' N ' ' O ' ' X' ' 109' ' ' MET . 37.6 p -63.11 -29.03 70.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.309 -0.869 . . . . 0.0 109.335 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 . 179.731 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.324 0.583 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -77.19 160.65 28.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 0.0 109.509 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.685 HD22 ' N ' ' Y' ' 94' ' ' LEU . 2.9 mm? -79.74 155.4 27.98 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.212 -0.93 . . . . 0.0 109.603 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -97.51 94.95 7.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.51 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 83.0 p -72.26 -40.05 67.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.928 . . . . 0.0 109.809 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -132.44 120.05 21.45 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.422 -0.799 . . . . 0.0 109.609 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -113.42 8.93 18.05 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.61 -0.681 . . . . 0.0 109.33 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.66 53.85 0.93 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.02 160.04 26.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.255 -1.144 . . . . 0.0 109.327 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.523 ' O ' ' N ' ' Y' ' 103' ' ' SER . 87.7 p -50.03 -25.76 3.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.261 -0.899 . . . . 0.0 109.115 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.42 ' C ' ' O ' ' Y' ' 101' ' ' SER . 13.6 t -40.19 -24.51 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.405 0.622 . . . . 0.0 109.688 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 101' ' ' SER . 60.2 m -52.86 -32.72 46.3 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.356 -0.84 . . . . 0.0 109.022 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.715 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.1 -40.56 90.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.224 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.715 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 48.0 t-80 -61.5 -40.11 93.4 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.94 -30.25 68.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.96 -40.06 87.76 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.104 -0.998 . . . . 0.0 108.438 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.414 HD21 ' HZ3' ' Y' ' 111' ' ' LYS . 3.2 tp -73.8 -27.04 60.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.344 -0.848 . . . . 0.0 109.753 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -58.1 -24.38 58.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.387 -1.445 . . . . 0.0 110.183 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.512 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 4.1 p90 -40.71 -41.49 1.54 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.168 -0.957 . . . . 0.0 109.19 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 19.3 pttt -70.06 -37.58 75.55 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.793 -0.567 . . . . 0.0 109.501 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.503 ' N ' ' O ' ' Y' ' 109' ' ' MET . 38.3 p -61.44 -30.02 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.257 -0.902 . . . . 0.0 109.561 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 . -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.2 t 62.13 11.29 4.26 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.338 -0.851 . . . . 0.0 110.355 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.54 24.45 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.047 . . . . 0.0 108.872 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.4 tp -60.03 -31.88 70.38 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -64.8 -37.36 87.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.657 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.04 -40.04 95.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.0 83.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.7 mtt -61.72 -39.97 93.42 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.317 -0.865 . . . . 0.0 109.896 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.86 -40.01 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.0 96.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.7 -0.625 . . . . 0.0 111.691 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.07 -39.94 87.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.751 -1.218 . . . . 0.0 107.939 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.52 -40.02 85.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 O-C-N 121.829 -0.545 . . . . 0.0 110.775 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 41.1 t0 -60.39 -47.65 85.16 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.756 -1.215 . . . . 0.0 111.42 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -39.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.259 -0.9 . . . . 0.0 110.78 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.213 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -68.45 -24.67 64.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.109 -0.994 . . . . 0.0 110.451 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.92 -41.6 96.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.632 -1.293 . . . . 0.0 110.133 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.57 -38.9 11.65 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.895 -1.128 . . . . 0.0 111.919 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 p -60.48 -40.15 90.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 110.356 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.97 -12.33 81.3 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.97 -46.92 87.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -1.178 . . . . 0.0 109.114 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -87.21 -76.0 0.38 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 109.722 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.78 -27.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.605 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.19 7.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.727 -1.455 . . . . 0.0 109.396 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.0 -39.93 75.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.018 -1.052 . . . . 0.0 110.208 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.1 -20.0 46.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.295 -0.878 . . . . 0.0 110.947 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 41.8 tttt -131.62 154.45 48.88 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.179 -0.951 . . . . 0.0 109.949 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 tp -125.72 139.3 53.65 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.462 -0.773 . . . . 0.0 109.274 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' SER . 31.6 ttpt -108.59 148.6 30.08 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -43.45 -24.12 0.09 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.877 . . . . 0.0 109.979 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.463 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 20.8 t -73.69 -51.66 15.91 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.033 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.01 -39.41 94.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.0 -40.26 88.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.23 -39.99 88.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 109.612 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.93 -39.45 93.53 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 0.0 109.152 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.0 tt -61.01 -49.93 75.44 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.014 -1.054 . . . . 0.0 108.994 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.55 -48.31 53.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.406 -0.809 . . . . 0.0 111.344 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -64.22 -40.5 96.17 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.136 -0.977 . . . . 0.0 112.678 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -99.07 -34.62 10.32 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.199 -0.938 . . . . 0.0 113.0 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.831 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 tt0 -80.07 -9.27 59.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.387 -1.446 . . . . 0.0 109.938 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 39' ' ' GLU . 7.2 mt -141.6 50.31 1.58 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.06 -42.73 95.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.284 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -119.63 -26.12 5.8 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.242 -0.911 . . . . 0.0 110.132 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -61.67 -40.01 93.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.136 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -131.83 160.07 36.7 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.641 -1.223 . . . . 0.0 108.963 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.63 147.23 49.97 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -87.2 135.59 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.868 -1.145 . . . . 0.0 108.551 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -107.05 -17.43 14.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.466 -0.771 . . . . 0.0 110.123 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 45.3 tp10 -140.11 142.43 36.05 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.0 -26.84 67.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.651 -0.656 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 16.2 pt-20 -60.01 -37.23 79.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.92 -1.113 . . . . 0.0 110.222 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.05 -40.01 82.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.896 -1.128 . . . . 0.0 108.1 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.64 -37.77 80.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.03 -39.67 90.68 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.037 0.923 . . . . 0.0 109.671 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -66.81 -40.01 87.9 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.13 -28.77 44.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.48 -35.69 79.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -54.57 -37.91 66.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 106.942 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -80.66 -48.26 12.88 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.879 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.7 mt -89.35 -13.77 37.13 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.866 -1.146 . . . . 0.0 111.121 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 57' ' ' MET . 46.7 t0 -80.93 60.84 4.31 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.21 -40.04 84.57 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -74.82 -11.09 60.06 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.77 31.19 74.76 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.1 p-10 -107.67 6.65 27.95 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -1.144 . . . . 0.0 110.166 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 77.69 9.0 87.17 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -140.01 138.43 35.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.854 -0.792 . . . . 0.0 108.936 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 130.54 56.03 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.52 160.04 33.19 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.611 -0.681 . . . . 0.0 109.202 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.428 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.2 t80 -47.69 -36.67 11.58 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.05 -49.35 78.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.513 0.673 . . . . 0.0 109.853 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.0 mt-10 -60.01 -39.95 87.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 110.629 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.38 -31.6 71.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.407 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.428 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -60.04 -36.44 77.29 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.81 . . . . 0.0 109.413 -178.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.8 t80 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.865 -1.147 . . . . 0.0 109.588 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.22 -36.56 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.588 0.708 . . . . 0.0 109.411 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -61.77 -41.76 98.12 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.644 -0.66 . . . . 0.0 110.625 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.1 mtm -75.42 -41.67 55.46 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.489 -1.284 . . . . 0.0 111.427 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 76' ' ' PHE . 23.3 t -63.72 -37.32 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.089 -1.007 . . . . 0.0 109.915 -178.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 122.165 0.983 . . . . 0.0 108.852 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -56.51 -38.7 72.17 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.68 83.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.1 m -59.99 -35.9 76.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.43 -0.794 . . . . 0.0 109.63 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -59.95 -40.72 89.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.003 . . . . 0.0 108.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.66 -39.96 90.29 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -78.45 -47.85 16.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.515 -0.741 . . . . 0.0 110.258 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 3.8 t80 -95.28 70.02 3.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.321 -0.862 . . . . 0.0 109.111 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.98 103.52 9.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.307 -0.87 . . . . 0.0 108.918 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -80.12 98.13 7.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.483 -0.761 . . . . 0.0 109.666 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 . 179.499 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.307 0.575 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.3 t 62.11 11.31 4.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.297 -0.877 . . . . 0.0 110.4 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.62 24.61 0.15 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.058 -1.026 . . . . 0.0 108.867 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.5 tp -60.02 -32.03 70.51 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.804 -0.759 . . . . 0.0 108.953 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -64.64 -37.5 87.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.159 -0.963 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.94 -40.03 95.51 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.9 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.01 83.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 110.349 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -61.92 -39.95 93.79 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.904 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.68 -39.98 86.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.02 96.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.784 -0.572 . . . . 0.0 111.682 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -39.99 87.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.717 -1.239 . . . . 0.0 107.97 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.55 -39.95 85.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 O-C-N 121.786 -0.571 . . . . 0.0 110.902 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 41.2 t0 -60.53 -47.51 85.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.767 -1.208 . . . . 0.0 111.459 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -39.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.16 -0.963 . . . . 0.0 110.791 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.61 -39.19 83.41 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.123 -0.985 . . . . 0.0 109.241 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -68.52 -24.55 64.67 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.479 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.94 -41.7 96.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.581 -1.324 . . . . 0.0 110.074 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.53 -39.07 11.57 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.857 -1.152 . . . . 0.0 111.873 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 44.7 p -60.34 -40.03 89.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.777 -1.202 . . . . 0.0 110.403 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.01 -12.34 81.22 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.06 -46.88 88.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -1.16 . . . . 0.0 109.082 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -87.24 -76.08 0.38 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.388 -0.82 . . . . 0.0 109.654 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.73 -27.1 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.595 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.1 7.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.446 . . . . 0.0 109.344 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.96 -39.99 75.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.978 -1.076 . . . . 0.0 110.194 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.07 -19.96 46.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.327 -0.858 . . . . 0.0 110.949 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.7 tttt -131.64 154.56 48.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.182 -0.949 . . . . 0.0 109.918 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -126.14 139.18 53.58 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.409 -0.807 . . . . 0.0 109.294 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' B' ' 30' ' ' SER . 31.9 ttpt -108.42 148.49 30.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.994 -1.066 . . . . 0.0 109.407 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -43.36 -24.2 0.09 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.28 -0.887 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 22.3 t -73.61 -51.52 16.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.007 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.11 -39.39 94.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.05 -40.23 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.687 -0.633 . . . . 0.0 110.437 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.24 -40.02 88.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.755 -1.216 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.98 -39.46 93.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.127 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.7 ' C ' HD23 ' B' ' 35' ' ' LEU . 6.8 tt -60.99 -50.0 75.14 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.936 -1.103 . . . . 0.0 109.022 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 36' ' ' ILE . 62.0 mt -71.43 -48.26 54.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.435 -0.791 . . . . 0.0 111.33 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.434 ' ND2' ' OD1' ' B' ' 38' ' ' ASN . 6.8 t30 -64.26 -40.61 96.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.13 -0.982 . . . . 0.0 112.66 -177.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' ND2' ' B' ' 37' ' ' ASN . 72.0 m-20 -99.05 -34.48 10.39 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.2 -0.938 . . . . 0.0 112.977 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.8 ' O ' HD23 ' B' ' 40' ' ' LEU . 18.2 tt0 -80.13 -9.51 59.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.437 -1.415 . . . . 0.0 109.881 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.8 HD23 ' O ' ' B' ' 39' ' ' GLU . 7.3 mt -141.36 50.15 1.61 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.245 -0.91 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.01 -42.66 94.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.0 . . . . 0.0 110.309 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -119.59 -26.28 5.78 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.277 -0.889 . . . . 0.0 110.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.61 -39.92 92.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 110.15 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.91 160.12 36.65 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 9.0 pt-20 -54.45 112.35 0.98 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.006 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.53 146.97 50.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -86.9 135.65 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.851 -1.156 . . . . 0.0 108.52 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -107.08 -17.54 14.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.408 -0.808 . . . . 0.0 110.088 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 45.3 tp10 -140.13 142.6 36.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.192 -0.942 . . . . 0.0 110.535 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.1 -26.83 67.94 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.771 -0.581 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 16.1 pt-20 -60.03 -37.21 79.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.825 -1.172 . . . . 0.0 110.177 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.05 -39.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.869 -1.145 . . . . 0.0 108.16 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.73 -37.56 80.01 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.28 -39.66 91.22 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.051 0.929 . . . . 0.0 109.637 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.85 -39.98 87.75 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.09 -28.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -67.36 -35.69 79.85 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.472 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -54.53 -38.04 66.11 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.142 -1.599 . . . . 0.0 106.869 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 -48.22 13.02 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 26.5 mt -89.43 -13.68 37.1 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.816 -1.177 . . . . 0.0 111.115 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.7 t0 -80.93 60.78 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -59.17 -39.96 84.15 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.97 -11.0 60.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.27 74.61 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 33.0 p-10 -107.69 6.54 27.81 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.277 -1.131 . . . . 0.0 110.161 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 77.74 9.03 87.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 108.143 -1.983 . . . . 0.0 108.143 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -139.97 138.42 35.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.885 -0.773 . . . . 0.0 108.945 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.83 130.39 56.11 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.43 159.98 33.21 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.6 -0.687 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.2 t80 -47.66 -36.71 11.47 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -59.99 -49.28 78.31 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.544 0.688 . . . . 0.0 109.852 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 40.8 mt-10 -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 110.612 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -67.54 -31.42 71.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.956 -1.09 . . . . 0.0 109.417 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.433 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.449 -179.076 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.71 71.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.926 -1.109 . . . . 0.0 110.617 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.441 ' O ' HG23 ' B' ' 80' ' ' VAL . 88.2 t80 -60.03 -39.98 87.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.815 -1.178 . . . . 0.0 109.488 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.441 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.4 OUTLIER -63.0 -36.78 77.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.583 0.706 . . . . 0.0 109.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -61.83 -41.64 98.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.649 -0.657 . . . . 0.0 110.646 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.2 mtm -75.5 -41.55 55.01 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.4 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 76' ' ' PHE . 21.6 t -63.89 -37.11 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.822 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.04 -40.02 87.92 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 122.104 0.954 . . . . 0.0 108.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 m -56.35 -38.9 72.01 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.81 83.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 23.4 m -59.9 -35.75 75.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 109.643 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -59.96 -40.87 90.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.116 -0.99 . . . . 0.0 108.849 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.48 -40.05 89.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -78.57 -47.77 16.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.509 -0.744 . . . . 0.0 110.217 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 3.7 t80 -95.28 70.12 3.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.341 -0.849 . . . . 0.0 109.061 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -80.06 103.53 10.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.374 -0.829 . . . . 0.0 108.919 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -80.13 98.16 7.18 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.394 -0.816 . . . . 0.0 109.702 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 . 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -69.97 -22.23 63.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.181 -0.95 . . . . 0.0 109.559 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.12 128.62 34.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 108.769 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -60.57 -40.02 90.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.844 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 22.4 t -83.21 136.72 34.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.145 -0.972 . . . . 0.0 109.488 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -91.05 115.1 27.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.289 -0.882 . . . . 0.0 109.058 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -149.8 161.51 42.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.209 -0.932 . . . . 0.0 109.185 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.51 41.78 5.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.04 140.03 58.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.129 -1.218 . . . . 0.0 108.812 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 75.6 m -51.26 -25.2 5.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.107 -0.996 . . . . 0.0 109.224 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.409 ' O ' ' N ' ' X' ' 105' ' ' HIS . 44.4 m -50.02 -28.68 7.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 0.0 109.146 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 45.9 t -49.97 -29.13 7.93 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.08 -39.98 87.98 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' X' ' 109' ' ' MET . 40.2 m80 -66.52 -33.38 75.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.17 -32.79 70.23 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 38.0 ttpt -59.94 -39.0 84.06 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.4 -28.11 68.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 110.08 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -64.13 -24.57 67.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.636 -1.29 . . . . 0.0 110.115 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.656 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.0 -38.45 7.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.534 -1.354 . . . . 0.0 110.378 -178.652 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.656 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.35 -39.18 33.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.695 -1.253 . . . . 0.0 109.87 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.15 -30.62 38.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.856 -1.153 . . . . 0.0 108.726 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 . 179.414 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -70.0 -22.37 63.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.235 -0.915 . . . . 0.0 109.515 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.9 tp -81.99 128.63 34.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.738 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -60.6 -39.95 90.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.255 -0.903 . . . . 0.0 109.904 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 25.1 t -83.35 136.96 34.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.129 -0.982 . . . . 0.0 109.422 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -91.4 114.9 27.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -149.62 161.52 42.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.243 -0.911 . . . . 0.0 109.236 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.67 41.76 5.94 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.97 140.06 58.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.118 -1.224 . . . . 0.0 108.826 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -51.3 -25.3 5.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.177 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.407 ' O ' ' N ' ' Y' ' 105' ' ' HIS . 48.9 m -49.97 -28.78 7.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 0.0 109.118 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 46.5 t -50.01 -29.15 8.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.95 -40.21 88.21 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 39.7 m80 -66.46 -33.27 75.32 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.36 -32.43 70.11 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 38.2 ttpt -60.0 -39.23 85.08 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.21 -28.28 68.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.523 -0.736 . . . . 0.0 110.046 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -63.94 -24.6 67.79 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.7 -1.25 . . . . 0.0 110.162 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.643 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.06 -38.45 7.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.584 -1.322 . . . . 0.0 110.347 -178.574 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.58 -37.86 35.32 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.743 -1.223 . . . . 0.0 110.05 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -30.01 55.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.923 -1.111 . . . . 0.0 108.54 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 0.0 . 179.235 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.45 0.643 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 p 50.72 22.03 1.04 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.458 -0.776 . . . . 0.0 109.369 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.95 -8.78 57.47 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.538 0.685 . . . . 0.0 109.363 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tt -51.31 -22.94 3.14 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.69 -0.632 . . . . 0.0 110.061 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.93 -40.05 79.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.526 -1.359 . . . . 0.0 109.183 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -70.16 -32.29 70.18 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.03 79.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.849 -0.532 . . . . 0.0 110.769 -178.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -66.67 -39.92 88.38 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.095 -1.003 . . . . 0.0 109.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.14 -37.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.955 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.45 72.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.304 -0.872 . . . . 0.0 110.341 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.74 -34.81 29.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.892 -0.505 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.15 -43.59 95.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.893 -178.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -25.05 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.184 -0.947 . . . . 0.0 109.777 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.88 -40.88 90.2 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.714 -1.242 . . . . 0.0 108.984 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -80.42 -22.65 40.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.431 -0.793 . . . . 0.0 110.433 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -53.38 -47.61 69.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.743 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.548 ' CE1' HD12 ' A' ' 35' ' ' LEU . 25.0 p90 -111.34 -25.98 9.37 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 121.249 -0.907 . . . . 0.0 111.918 -178.463 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.1 t -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.718 -1.239 . . . . 0.0 110.152 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.88 90.39 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -59.99 -48.85 80.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.037 -1.272 . . . . 0.0 109.855 -179.67 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -89.97 -79.86 0.33 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.223 -0.923 . . . . 0.0 109.975 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.03 -28.91 0.02 OUTLIER Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.433 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' LYS . 22.4 m-20 -73.38 72.26 1.31 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.922 -1.34 . . . . 0.0 108.505 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.99 -49.88 75.93 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.615 -0.678 . . . . 0.0 110.95 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -89.75 -4.43 57.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.058 -1.026 . . . . 0.0 111.464 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 23' ' ' ASP . 18.6 mtpp -135.31 158.11 45.21 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.006 -1.059 . . . . 0.0 110.602 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -125.98 131.76 52.18 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.824 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.7 mttt -103.96 159.99 15.19 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -49.0 -24.62 1.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 28' ' ' LYS . 25.3 t -74.37 -45.38 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.781 179.104 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -70.05 -34.36 73.11 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.89 -42.96 94.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -62.53 -36.51 82.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.558 -0.714 . . . . 0.0 110.067 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.905 -1.122 . . . . 0.0 109.417 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 17' ' ' TYR . 1.3 tt -68.95 -45.35 70.95 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.956 -1.09 . . . . 0.0 108.975 178.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.607 HG21 HD12 ' A' ' 47' ' ' ILE . 89.4 mt -69.94 -41.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.445 -0.785 . . . . 0.0 111.866 -177.708 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' C ' HD22 ' A' ' 38' ' ' ASN . 10.9 t-20 -71.1 -39.79 71.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.788 -1.195 . . . . 0.0 111.205 -179.164 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.551 HD22 ' N ' ' A' ' 38' ' ' ASN . 2.0 m120 -100.95 -32.93 10.4 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.071 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.5 tp10 -81.68 -14.95 55.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.376 -1.453 . . . . 0.0 110.74 -176.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 44' ' ' LEU . 45.9 mt -115.82 54.85 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.418 -0.801 . . . . 0.0 109.263 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -60.06 -40.4 89.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.124 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.34 -16.56 0.56 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.023 -1.048 . . . . 0.0 110.595 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.5 -45.77 92.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.837 -1.165 . . . . 0.0 109.382 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HB3' HD13 ' A' ' 40' ' ' LEU . 11.5 tp -134.27 149.09 50.9 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.257 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.524 ' O ' ' NH2' ' X' ' 104' ' ' ARG . 88.6 tt0 -56.18 114.11 1.83 Allowed 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.482 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.6 pm0 -66.65 170.48 6.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.646 -0.659 . . . . 0.0 109.693 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 36' ' ' ILE . 86.4 mt -98.28 140.01 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 -24.48 10.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.57 -0.706 . . . . 0.0 110.512 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 59.5 mp0 -115.34 139.94 49.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.431 -0.793 . . . . 0.0 109.181 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.67 -17.86 63.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.108 -0.995 . . . . 0.0 109.457 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.24 -39.97 94.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.949 -1.095 . . . . 0.0 109.802 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.13 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.97 -40.06 85.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.91 -39.22 91.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.467 -0.771 . . . . 0.0 109.867 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -67.44 -39.93 85.4 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.878 0.847 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.69 -29.57 44.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 80.9 mmm -74.17 -26.0 60.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.764 -0.775 . . . . 0.0 109.047 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -39.95 87.75 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -79.29 -40.5 30.28 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.1 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.53 -20.06 27.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.043 -1.036 . . . . 0.0 110.495 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.7 t0 -80.3 62.11 4.32 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -76.3 -11.64 59.94 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.4 31.11 79.65 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 11.3 p30 -107.18 7.87 29.74 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.281 -1.129 . . . . 0.0 110.175 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.22 1.85 86.39 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -141.04 151.34 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.526 -0.985 . . . . 0.0 109.055 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -118.23 138.67 52.18 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -83.25 171.84 13.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.141 -0.974 . . . . 0.0 109.56 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.456 ' CE2' HG23 ' B' ' 82' ' ' THR . 6.6 t80 -52.01 -39.99 60.3 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.165 -0.959 . . . . 0.0 108.756 -179.608 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -60.42 -51.58 68.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 110.575 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.21 -40.57 96.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.784 -1.198 . . . . 0.0 110.292 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.99 -34.2 74.41 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.478 -0.764 . . . . 0.0 109.956 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.0 -36.76 77.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.366 -0.834 . . . . 0.0 109.818 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.99 73.74 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.004 -1.078 . . . . 0.0 111.311 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.08 -39.96 87.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.919 -1.113 . . . . 0.0 110.364 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.6 -36.03 76.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-O 121.42 0.629 . . . . 0.0 109.522 -178.662 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.07 -40.72 98.51 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.536 -0.728 . . . . 0.0 110.085 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.3 mtp -73.39 -43.59 60.24 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.288 -0.883 . . . . 0.0 111.518 -178.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.24 -37.96 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.096 -1.003 . . . . 0.0 109.894 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.96 -39.85 87.06 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.467 HG23 ' CE2' ' B' ' 70' ' ' PHE . 4.1 m -53.38 -39.99 64.66 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.41 82.81 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.25 -34.77 70.82 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -59.99 -40.69 90.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.063 -1.023 . . . . 0.0 108.276 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.84 -40.04 91.34 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.22 -41.31 77.22 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.91 70.85 4.03 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -83.66 81.28 8.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.415 -0.803 . . . . 0.0 109.206 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.792 . . . . 0.0 . -179.833 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.386 0.612 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.9 p 50.59 21.99 0.99 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.831 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.07 -8.66 57.18 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.612 -0.68 . . . . 0.0 109.474 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.4 -23.23 3.59 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.664 -0.648 . . . . 0.0 109.943 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -68.59 -40.09 80.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.693 -1.254 . . . . 0.0 109.235 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.99 78.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.92 -0.488 . . . . 0.0 110.698 -178.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -66.85 -40.03 87.76 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.014 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.99 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.556 -0.715 . . . . 0.0 109.953 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.78 72.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.377 -0.827 . . . . 0.0 110.293 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.06 84.81 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.2 -35.06 32.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.911 -0.493 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.063 -1.023 . . . . 0.0 110.922 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.98 -25.07 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.145 -0.972 . . . . 0.0 109.788 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.71 -41.63 91.24 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.696 -1.252 . . . . 0.0 108.875 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -80.22 -22.12 42.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.456 -0.778 . . . . 0.0 110.546 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -54.0 -47.65 71.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.091 -1.006 . . . . 0.0 110.587 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.533 ' CE1' HD12 ' B' ' 35' ' ' LEU . 23.3 p90 -111.0 -26.15 9.42 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 121.274 -0.891 . . . . 0.0 111.962 -178.482 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.669 -1.269 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.83 -4.89 90.34 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.313 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.051 -1.264 . . . . 0.0 110.215 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -89.99 -79.83 0.33 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.358 -0.839 . . . . 0.0 110.003 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.14 -28.86 0.02 OUTLIER Glycine 0 N--CA 1.493 2.468 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.395 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' B' ' 26' ' ' LYS . 22.3 m-20 -73.1 72.31 1.17 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.799 -1.413 . . . . 0.0 108.553 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.94 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 0.0 110.95 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -90.02 -4.32 57.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.033 -1.042 . . . . 0.0 111.455 -178.022 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.0 mtpp -135.25 158.29 44.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.958 -1.089 . . . . 0.0 110.601 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -126.04 131.89 52.08 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.782 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' B' ' 30' ' ' SER . 94.4 mttt -104.09 160.17 15.07 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -49.38 -24.53 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' C ' ' B' ' 28' ' ' LYS . 27.3 t -74.28 -45.51 47.21 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.774 179.136 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -69.91 -34.23 73.23 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.04 -42.39 94.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.586 -0.696 . . . . 0.0 109.152 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -63.41 -36.23 83.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.531 -0.731 . . . . 0.0 109.989 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.989 -1.069 . . . . 0.0 109.558 -178.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -69.72 -44.75 69.68 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.858 -1.137 . . . . 0.0 108.93 179.269 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.638 HG21 HD12 ' B' ' 47' ' ' ILE . 87.8 mt -70.02 -41.33 79.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.465 -0.772 . . . . 0.0 111.837 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.532 ' C ' HD22 ' B' ' 38' ' ' ASN . 10.7 t-20 -71.17 -39.94 71.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.82 -1.175 . . . . 0.0 111.265 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.571 HD22 ' N ' ' B' ' 38' ' ' ASN . 1.9 m120 -100.98 -32.41 10.64 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.265 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.5 tp10 -81.75 -15.06 55.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.422 -1.423 . . . . 0.0 110.661 -176.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' B' ' 44' ' ' LEU . 43.0 mt -115.85 55.34 0.79 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.439 -0.788 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.95 -40.85 90.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.34 -0.85 . . . . 0.0 110.058 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -144.16 -16.51 0.58 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.021 -1.05 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.54 -45.85 92.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.833 -1.167 . . . . 0.0 109.429 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' B' ' 40' ' ' LEU . 11.4 tp -134.31 149.16 50.87 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.497 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 88.3 tt0 -56.11 113.58 1.59 Allowed 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.49 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 1.6 pm0 -66.31 170.79 5.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.563 -0.711 . . . . 0.0 109.665 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.638 HD12 HG21 ' B' ' 36' ' ' ILE . 81.7 mt -98.6 139.96 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.228 -0.92 . . . . 0.0 109.46 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -24.12 10.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.605 -0.685 . . . . 0.0 110.471 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 59.6 mp0 -115.46 140.07 49.47 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.368 -0.832 . . . . 0.0 109.123 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.91 -17.74 63.35 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.441 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.4 pt-20 -62.35 -40.05 95.12 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.965 -1.084 . . . . 0.0 109.811 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 87.4 t -60.12 -39.94 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.93 -39.97 85.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.63 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -62.2 -38.95 91.09 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.471 -0.768 . . . . 0.0 109.837 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -67.68 -40.03 84.44 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.926 0.87 . . . . 0.0 108.945 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.45 -29.57 44.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 80.3 mmm -74.26 -26.06 59.99 Favored 'General case' 0 C--O 1.199 -1.559 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.106 179.378 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.99 -40.0 87.67 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 178.123 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -79.54 -39.94 30.71 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.101 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.05 -19.93 26.43 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.994 -1.066 . . . . 0.0 110.39 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -80.49 62.25 4.52 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.98 -37.37 79.43 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -76.34 -11.81 59.96 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.17 31.25 80.07 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 11.9 p30 -107.22 7.75 29.58 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.283 -1.128 . . . . 0.0 110.065 -179.498 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.14 2.18 86.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.7 pt-20 -141.4 151.29 43.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -1.018 . . . . 0.0 108.873 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -118.51 138.52 52.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -82.96 171.95 13.31 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.467 ' CE2' HG23 ' A' ' 82' ' ' THR . 6.4 t80 -51.97 -39.99 60.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.29 -0.881 . . . . 0.0 108.775 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.48 -51.69 68.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.825 . . . . 0.0 110.537 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -61.94 -41.15 97.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.884 -1.135 . . . . 0.0 110.337 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.58 -34.31 74.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.4 -0.812 . . . . 0.0 109.991 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -36.51 77.18 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.33 -0.856 . . . . 0.0 109.783 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.42 74.82 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 118.936 -1.105 . . . . 0.0 111.408 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.04 -40.03 87.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.832 -1.167 . . . . 0.0 110.301 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.473 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.57 -35.82 75.68 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.224 0 CA-C-O 121.402 0.62 . . . . 0.0 109.603 -178.6 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.908 -179.18 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.69 -43.07 60.34 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 111.505 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.66 -38.12 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.115 -0.991 . . . . 0.0 109.877 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.01 84.08 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.0 m -53.92 -40.32 66.6 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.7 81.56 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 -34.66 71.09 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.0 -40.95 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.995 -1.065 . . . . 0.0 108.401 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.74 -40.03 90.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.2 -41.59 76.9 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -93.65 70.82 4.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -73.1 105.8 4.69 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -83.44 81.07 8.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.514 -0.741 . . . . 0.0 109.22 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.433 -0.792 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.05 -40.14 88.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.024 -1.047 . . . . 0.0 109.203 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' X' ' 94' ' ' LEU . 3.2 mm? -72.1 144.01 48.83 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.319 -0.863 . . . . 0.0 108.803 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.77 130.11 35.08 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.144 -0.973 . . . . 0.0 109.528 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 27.1 t -80.69 152.18 28.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.458 -0.776 . . . . 0.0 109.946 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 59.9 46.19 11.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -100.92 139.1 37.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.304 -0.873 . . . . 0.0 109.475 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.42 -11.81 2.74 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.129 -1.589 . . . . 0.0 109.129 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -103.66 128.83 50.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.968 . . . . 0.0 109.628 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.44 ' O ' ' N ' ' X' ' 103' ' ' SER . 66.1 m -69.95 -25.42 63.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 108.837 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.499 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 1.5 t -42.8 -24.7 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.446 0.641 . . . . 0.0 109.736 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.44 ' N ' ' O ' ' X' ' 101' ' ' SER . 58.6 m -48.15 -24.7 1.21 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 45' ' ' GLU . 4.5 ptm180 -58.18 -35.01 70.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 0.0 110.337 -179.136 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 7.2 p80 -60.01 -38.93 84.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.963 -1.086 . . . . 0.0 109.47 -179.53 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.632 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 35.8 ttpt -59.97 -32.39 70.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.474 -0.766 . . . . 0.0 109.194 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.73 -42.73 93.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.02 -1.05 . . . . 0.0 109.176 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.48 -26.07 60.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.882 -1.136 . . . . 0.0 109.63 178.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.521 ' O ' ' N ' ' X' ' 112' ' ' THR . 39.1 mmt -57.24 -24.24 53.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.587 -1.321 . . . . 0.0 109.55 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.41 -41.51 6.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.816 -1.177 . . . . 0.0 109.011 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.503 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 23.2 pttt -69.47 -32.53 71.5 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.773 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.521 ' N ' ' O ' ' X' ' 109' ' ' MET . 85.1 m -60.75 -39.92 90.5 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -178.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.428 -0.795 . . . . 0.0 . -179.817 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.05 -40.39 89.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.0 -1.063 . . . . 0.0 109.15 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' Y' ' 94' ' ' LEU . 3.0 mm? -71.73 143.53 49.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 108.956 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -82.08 130.11 34.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.996 . . . . 0.0 109.586 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 28.0 t -80.67 151.92 28.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.907 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 60.06 45.91 11.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.413 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -100.69 139.14 36.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.306 -0.871 . . . . 0.0 109.38 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.16 -11.5 2.8 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -103.87 128.7 51.33 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.461 -1.023 . . . . 0.0 109.586 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.443 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.6 m -69.84 -25.17 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 108.924 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.502 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 1.6 t -42.81 -24.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.559 0.695 . . . . 0.0 109.683 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.7 m -48.36 -24.83 1.35 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 109.313 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.497 ' NH2' ' O ' ' B' ' 45' ' ' GLU . 4.4 ptm180 -57.98 -35.03 70.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.32 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 7.0 p80 -59.97 -39.07 84.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.857 -1.152 . . . . 0.0 109.443 -179.483 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.639 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 35.9 ttpt -59.99 -32.29 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 109.192 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.38 -43.05 92.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.947 -1.095 . . . . 0.0 109.175 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.45 -26.03 60.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.865 -1.147 . . . . 0.0 109.506 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' Y' ' 112' ' ' THR . 38.4 mmt -57.22 -24.45 54.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.541 -1.349 . . . . 0.0 109.584 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.06 -41.76 5.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.875 -1.141 . . . . 0.0 109.056 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 25.8 pttt -69.22 -33.32 73.12 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' Y' ' 109' ' ' MET . 89.7 m -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.064 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 . -179.668 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.209 0.528 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.06 20.18 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 109.72 179.346 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.05 -5.91 44.36 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.47 0.653 . . . . 0.0 109.796 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.0 tp -44.06 -24.38 0.15 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.589 -0.694 . . . . 0.0 110.402 -178.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -67.42 -40.04 85.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.554 -1.341 . . . . 0.0 109.045 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.52 -39.98 73.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.496 -0.752 . . . . 0.0 110.02 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.97 94.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.805 . . . . 0.0 111.079 -178.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -67.01 -39.96 87.2 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.033 -1.042 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.5 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.259 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.25 67.49 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.346 -0.846 . . . . 0.0 111.41 -178.399 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.46 -37.32 77.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.92 -47.0 87.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.988 -1.07 . . . . 0.0 111.145 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -38.99 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.891 -1.13 . . . . 0.0 109.685 -179.405 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 36.1 t80 -56.23 -39.95 73.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.465 -1.397 . . . . 0.0 108.595 -179.589 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -69.87 -21.84 63.3 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.241 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.97 -43.7 94.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 110.421 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 64.7 m-85 -97.23 -36.26 10.49 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.799 -1.188 . . . . 0.0 112.196 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.498 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 58.0 m -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.944 -1.097 . . . . 0.0 111.122 -177.38 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.26 -4.2 67.9 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 119.945 -1.121 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -70.05 -45.68 66.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.809 -1.406 . . . . 0.0 110.525 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.57 161.06 17.87 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.523 -0.736 . . . . 0.0 110.252 -178.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -45.7 -23.65 1.0 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.528 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.7 m-20 -72.02 57.98 0.34 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.956 -1.32 . . . . 0.0 108.44 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.3 mtmt -66.4 -39.99 89.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.467 -0.77 . . . . 0.0 110.892 -178.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 85.6 t60 -87.68 -7.74 57.03 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.136 -0.978 . . . . 0.0 111.453 -178.121 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.0 ptpt -144.83 167.7 21.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.802 -1.186 . . . . 0.0 109.733 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 21.0 mt -120.44 127.4 52.21 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.4 tttp -92.29 149.24 21.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 178.811 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.3 pttm -45.02 -22.86 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.7 t -80.05 -49.92 11.09 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.219 0.533 . . . . 0.0 109.701 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 60.4 tt0 -68.53 -34.34 75.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.99 -41.42 92.03 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.662 -0.649 . . . . 0.0 109.712 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 88.0 tttt -60.03 -39.97 87.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 -179.098 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.05 -39.99 91.93 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.5 tt -60.87 -48.91 79.63 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.241 -0.912 . . . . 0.0 109.118 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.29 -46.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.315 -0.865 . . . . 0.0 112.09 -178.064 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.575 HD22 ' HB ' ' A' ' 47' ' ' ILE . 2.9 m120 -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 112.608 -176.502 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.4 -38.78 9.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.172 -0.955 . . . . 0.0 112.494 -176.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 23.8 tt0 -67.41 -40.06 85.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.443 -1.411 . . . . 0.0 108.905 -178.566 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -99.79 63.67 1.22 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 110.002 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -135.86 -17.07 1.69 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.281 -0.887 . . . . 0.0 109.955 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.73 -41.24 97.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.068 -1.02 . . . . 0.0 109.966 -179.356 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 45' ' ' GLU . 5.2 tt -130.96 153.33 49.31 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.496 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 54.3 tp10 -59.42 113.91 2.42 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.057 -179.241 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 37' ' ' ASN . 31.6 mt-10 -56.45 166.38 0.9 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.708 0.766 . . . . 0.0 109.706 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.575 ' HB ' HD22 ' A' ' 37' ' ' ASN . 5.1 mm -95.56 140.03 17.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -108.65 -14.11 14.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.461 -0.774 . . . . 0.0 109.988 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -137.09 149.15 47.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.202 -0.936 . . . . 0.0 110.81 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.434 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 9.5 mm100 -69.73 -24.99 63.63 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.1 pt-20 -60.75 -39.98 90.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.744 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 95.0 t -60.13 -39.95 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.046 -1.034 . . . . 0.0 108.667 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.24 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.82 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -67.48 -35.21 78.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.341 -0.849 . . . . 0.0 109.934 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.52 -40.0 80.99 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -63.91 -35.2 72.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.311 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.99 -26.1 63.93 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.575 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.95 -40.06 87.71 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.6 m -82.78 -37.91 23.92 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.38 178.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.63 -18.11 30.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.081 -1.012 . . . . 0.0 110.786 -177.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.596 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 58.9 t0 -80.92 61.44 4.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 59.4 mt-10 -60.01 -39.96 87.58 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.717 -177.51 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -84.96 -2.85 58.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.0 -1.062 . . . . 0.0 108.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.75 34.53 87.64 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.375 178.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 44.9 p-10 -104.93 -0.71 26.71 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.102 -1.234 . . . . 0.0 110.102 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.596 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.46 4.46 87.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 29.6 mt-10 -137.94 133.53 33.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.629 -0.924 . . . . 0.0 108.537 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 p -95.4 122.2 37.87 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.034 -1.041 . . . . 0.0 108.724 179.345 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -77.96 170.56 16.39 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -178.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 3.3 t80 -44.66 -44.12 8.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -62.15 -49.98 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.522 -0.736 . . . . 0.0 110.326 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -61.55 -40.04 93.24 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.283 -0.886 . . . . 0.0 110.666 -178.418 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.44 ' CE1' HG22 ' A' ' 77' ' ' VAL . 65.0 t80 -68.7 -29.12 67.49 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.942 -1.099 . . . . 0.0 109.413 179.624 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -39.51 85.98 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.368 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.99 -33.27 71.83 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.48 ' HB2' HD11 ' A' ' 60' ' ' LEU . 88.2 t80 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.879 -1.138 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.44 HG22 ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -65.78 -34.46 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 0.0 110.03 -178.712 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 3.3 p -68.94 -39.38 79.6 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.189 -0.944 . . . . 0.0 109.419 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.55 -45.76 74.72 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 111.495 -178.521 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.28 -35.4 62.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.034 -1.042 . . . . 0.0 110.148 -178.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -60.09 -40.01 88.14 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -54.36 -37.81 65.37 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.0 87.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.492 -0.755 . . . . 0.0 109.41 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 t -60.21 -38.63 83.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 0.0 109.522 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.428 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 43.3 t-80 -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.222 -179.714 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.68 -41.14 97.15 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.676 179.198 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -77.51 -40.0 44.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.47 -0.769 . . . . 0.0 109.547 179.169 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.78 61.64 4.82 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.86 106.8 5.74 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.126 -0.984 . . . . 0.0 108.451 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -59.97 -39.07 84.4 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.711 -0.618 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.071 0.462 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 49.8 20.1 0.51 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.015 -1.053 . . . . 0.0 109.682 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -74.2 -5.81 44.12 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.622 -0.674 . . . . 0.0 109.895 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.4 tp -43.98 -24.51 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.652 -0.655 . . . . 0.0 110.343 -178.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.2 tt0 -67.15 -40.17 86.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.572 -1.33 . . . . 0.0 109.14 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.43 -39.97 74.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.587 -0.696 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.01 93.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 110.995 -178.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.5 mtt -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.951 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.22 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.293 -0.88 . . . . 0.0 111.457 -178.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.99 -40.04 87.82 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.42 -37.3 77.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.357 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.03 -46.9 87.98 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.006 -1.058 . . . . 0.0 111.116 -178.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -39.02 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.927 -1.108 . . . . 0.0 109.618 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 35.6 t80 -56.36 -39.96 73.74 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.421 -1.424 . . . . 0.0 108.587 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -69.69 -22.06 63.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.205 -0.935 . . . . 0.0 109.318 179.501 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.99 -43.53 95.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.127 -0.983 . . . . 0.0 110.397 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.466 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 64.4 m-85 -97.11 -36.34 10.51 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.767 -1.208 . . . . 0.0 112.293 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 54.8 m -59.97 -40.05 87.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.984 -1.072 . . . . 0.0 111.193 -177.345 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -4.28 67.43 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -70.24 -45.6 66.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.775 -1.426 . . . . 0.0 110.528 -179.456 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.48 161.13 17.71 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.517 -0.739 . . . . 0.0 110.312 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -45.87 -23.45 1.03 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.51 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.17 58.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.962 -1.316 . . . . 0.0 108.319 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 22' ' ' GLY . 51.1 mtmt -66.6 -40.04 88.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.774 . . . . 0.0 110.799 -178.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.415 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 85.6 t60 -87.78 -7.33 57.44 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.009 -1.057 . . . . 0.0 111.434 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -144.95 167.75 21.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.787 -1.196 . . . . 0.0 109.684 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -120.52 127.27 52.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.6 tttp -92.25 149.42 21.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.3 pttm -45.06 -22.81 0.11 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.924 0.869 . . . . 0.0 108.906 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.6 t -79.86 -50.17 10.88 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.268 0.556 . . . . 0.0 109.759 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.466 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 60.7 tt0 -68.63 -34.03 75.04 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.657 -0.652 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.434 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 88.1 tttt -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.835 -179.172 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -61.27 -39.99 92.44 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.692 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.8 tt -60.79 -49.31 78.02 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.477 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.99 -46.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.32 -0.863 . . . . 0.0 112.166 -178.02 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.56 HD22 ' HB ' ' B' ' 47' ' ' ILE . 2.9 m120 -69.98 -40.03 75.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 112.693 -176.637 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.43 -38.52 10.0 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.165 -0.959 . . . . 0.0 112.473 -176.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 24.9 tt0 -67.53 -40.06 85.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.474 -1.391 . . . . 0.0 108.898 -178.545 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.8 63.62 1.22 Allowed 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -59.92 -40.07 87.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 -179.254 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -135.8 -17.09 1.7 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.233 -0.917 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.83 -40.94 97.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.062 -1.023 . . . . 0.0 110.069 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -131.19 153.19 49.7 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.19 114.16 2.49 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.656 -1.217 . . . . 0.0 108.976 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 31.0 mt-10 -56.75 166.32 0.99 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.726 0.774 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.56 ' HB ' HD22 ' B' ' 37' ' ' ASN . 4.9 mm -95.52 139.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -108.6 -14.36 14.64 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.544 -0.723 . . . . 0.0 109.989 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.8 148.99 47.5 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.986 . . . . 0.0 110.883 -179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.434 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 9.5 mm100 -69.38 -24.82 63.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.071 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.0 pt-20 -60.91 -39.98 91.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.438 -0.789 . . . . 0.0 110.692 -178.611 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 93.2 t -60.08 -39.98 81.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 108.583 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.16 -36.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -67.48 -35.08 78.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 109.917 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.69 -40.02 80.26 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.01 -35.14 72.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -69.97 -26.15 63.96 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 20.9 m -82.71 -38.24 23.62 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 178.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.37 -18.11 30.79 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.093 -1.004 . . . . 0.0 110.855 -177.941 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.61 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 58.7 t0 -80.91 61.28 4.46 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 178.662 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.5 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 57.9 mt-10 -60.04 -40.14 88.33 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.691 -177.321 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -84.7 -2.78 58.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.989 -1.07 . . . . 0.0 108.964 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 34.65 88.1 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.382 178.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 45.4 p-10 -105.05 -0.41 26.79 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.076 -1.25 . . . . 0.0 109.996 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.61 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.16 4.45 86.43 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 30.9 mt-10 -137.96 133.53 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.584 -0.95 . . . . 0.0 108.462 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.49 122.24 38.02 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.128 -0.982 . . . . 0.0 108.705 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -78.0 170.59 16.36 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -178.389 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 3.2 t80 -44.72 -43.86 8.77 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -62.21 -50.03 73.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.519 -0.738 . . . . 0.0 110.307 179.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 49.0 mt-10 -61.65 -40.03 93.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.23 -0.919 . . . . 0.0 110.641 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' B' ' 77' ' ' VAL . 69.0 t80 -68.78 -29.0 67.28 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.91 -1.119 . . . . 0.0 109.358 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.54 85.97 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.49 -179.175 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -70.01 -33.38 71.94 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.785 -1.197 . . . . 0.0 110.063 -179.562 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' B' ' 60' ' ' LEU . 89.0 t80 -60.06 -40.01 87.99 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.861 -1.149 . . . . 0.0 110.598 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.443 HG22 ' CE2' ' B' ' 73' ' ' PHE . 0.1 OUTLIER -65.7 -34.39 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.504 -0.748 . . . . 0.0 110.055 -178.719 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 3.2 p -69.02 -39.08 79.48 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.231 -0.918 . . . . 0.0 109.465 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.9 mtp -68.0 -45.66 73.44 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 111.487 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.97 -35.55 64.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.138 -0.976 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.4 m -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HZ2' ' Y' ' 111' ' ' LYS . 4.2 m -54.57 -37.6 65.67 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.42 178.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 t -59.99 -39.04 84.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.574 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -60.05 -40.54 89.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.102 -0.999 . . . . 0.0 109.08 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.36 -41.33 96.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.173 -0.954 . . . . 0.0 108.677 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -77.48 -39.99 44.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.625 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.78 61.89 4.89 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.1 106.72 5.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.049 -1.032 . . . . 0.0 108.401 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.95 -38.89 83.79 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.68 -0.637 . . . . 0.0 . 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -84.56 138.79 32.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 86.5 mt -94.86 142.85 26.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.886 . . . . 0.0 108.851 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -143.04 160.0 41.2 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 96' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' X' ' 97' ' ' LYS . 47.9 t -97.75 -162.02 0.92 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.368 -0.832 . . . . 0.0 109.679 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 97' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' X' ' 96' ' ' SER . 25.6 pttm -77.43 27.71 0.16 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 110.066 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 109.05 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.98 154.83 53.15 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 100' ' ' GLN . . . . . 0.446 ' HB2' HG22 ' X' ' 102' ' ' THR . 94.8 mm-40 -130.61 159.95 35.66 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.42 ' O ' ' N ' ' X' ' 103' ' ' SER . 53.2 m -56.29 -27.08 54.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.057 . . . . 0.0 109.252 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.446 HG22 ' HB2' ' X' ' 100' ' ' GLN . 8.1 t -44.15 -24.73 0.17 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.441 -0.787 . . . . 0.0 109.371 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.42 ' N ' ' O ' ' X' ' 101' ' ' SER . 73.2 m -59.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.276 -0.89 . . . . 0.0 109.066 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.14 -40.02 88.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.656 -1.278 . . . . 0.0 108.354 178.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -59.4 -30.43 68.45 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.93 -34.3 73.04 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 47.7 mtmt -59.91 -39.32 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.376 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 41.4 tp -70.05 -25.54 63.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.713 178.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.434 ' O ' ' N ' ' X' ' 112' ' ' THR . 59.5 mtt -66.41 -24.47 66.47 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.809 -1.182 . . . . 0.0 110.061 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.72 -34.48 5.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 108.869 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -73.77 -39.55 64.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.145 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.434 ' N ' ' O ' ' X' ' 109' ' ' MET . 72.7 p -60.04 -32.21 70.7 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.526 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 . 179.746 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -84.48 138.83 32.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.93 142.5 27.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.303 -0.873 . . . . 0.0 108.933 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -142.94 160.03 41.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 109.741 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' Y' ' 97' ' ' LYS . 47.0 t -97.71 -162.05 0.92 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.409 -0.807 . . . . 0.0 109.69 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . 0.416 ' N ' ' OG ' ' Y' ' 96' ' ' SER . 25.4 pttm -77.48 27.72 0.16 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.421 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.175 -0.953 . . . . 0.0 108.989 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.91 154.71 53.1 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' Y' ' 102' ' ' THR . 94.7 mm-40 -130.71 159.7 36.47 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.81 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.428 ' O ' ' N ' ' Y' ' 103' ' ' SER . 53.4 m -56.13 -27.0 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.944 -1.098 . . . . 0.0 109.285 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.431 HG22 ' HB2' ' Y' ' 100' ' ' GLN . 8.0 t -44.19 -24.67 0.17 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.495 -0.753 . . . . 0.0 109.333 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.428 ' N ' ' O ' ' Y' ' 101' ' ' SER . 75.5 m -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.324 -0.86 . . . . 0.0 109.0 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -60.47 -39.96 89.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.65 -1.281 . . . . 0.0 108.366 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.32 -30.35 68.29 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.98 -34.29 73.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.402 -0.811 . . . . 0.0 108.955 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 48.8 mtmt -59.8 -39.33 84.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.256 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.92 -25.92 63.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.555 -0.715 . . . . 0.0 109.687 178.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.426 ' O ' ' N ' ' Y' ' 112' ' ' THR . 62.2 mtt -66.23 -24.42 66.6 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.839 -1.163 . . . . 0.0 110.089 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.61 -34.64 5.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.917 -1.114 . . . . 0.0 108.902 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.581 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -73.51 -40.01 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.165 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.426 ' N ' ' O ' ' Y' ' 109' ' ' MET . 71.6 p -59.98 -31.51 69.97 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.642 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 0.0 . 179.738 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 2' ' ' GLU . 52.8 tpp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 3' ' ' LEU . 67.6 m 52.5 8.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.3 pt-20 -75.7 22.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.272 -0.893 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 3' ' ' LEU . 2.3 tm? -60.04 -37.51 80.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.315 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -61.77 -38.98 90.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.431 -0.793 . . . . 0.0 109.868 179.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.96 -39.97 93.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.026 -1.046 . . . . 0.0 108.455 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.01 91.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.585 -0.697 . . . . 0.0 109.48 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.6 mtt -62.07 -40.05 94.47 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.875 0.845 . . . . 0.0 110.055 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.6 -37.81 80.33 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 O-C-N 121.819 -0.551 . . . . 0.0 110.02 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.35 80.47 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.441 -0.787 . . . . 0.0 111.467 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.01 -39.93 87.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.838 -1.164 . . . . 0.0 108.434 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.64 -40.0 81.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.626 -0.671 . . . . 0.0 110.963 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.83 -45.23 90.5 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.614 -1.304 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.02 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.094 -1.003 . . . . 0.0 110.659 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.678 ' CE1' HD23 ' A' ' 27' ' ' LEU . 87.0 t80 -60.02 -39.62 86.45 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.86 -1.15 . . . . 0.0 108.967 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.82 -27.12 68.02 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.098 -1.001 . . . . 0.0 110.016 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.0 -41.86 92.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 110.651 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -96.69 -33.56 11.69 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.76 -1.212 . . . . 0.0 112.492 -178.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -64.65 -39.95 94.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.903 -1.123 . . . . 0.0 111.057 -178.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 -9.58 86.88 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.559 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 79.7 tt0 -94.48 -3.03 50.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 109.081 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.71 -6.81 79.91 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -82.52 69.77 9.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.838 -1.389 . . . . 0.0 108.402 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -70.01 -42.21 73.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.883 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 19.7 p80 -79.03 -13.75 59.59 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.054 -1.029 . . . . 0.0 111.32 -178.288 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' NZ ' ' OD2' ' A' ' 65' ' ' ASP . 44.1 tttt -141.68 159.95 41.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.822 -1.174 . . . . 0.0 109.46 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD23 ' CE1' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -120.02 129.86 54.45 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.725 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.603 ' N ' HD13 ' A' ' 27' ' ' LEU . 35.4 ttpt -102.98 140.46 37.22 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.891 -1.13 . . . . 0.0 109.544 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -38.96 -23.38 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.413 0.625 . . . . 0.0 109.82 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.7 m -72.7 -54.57 8.62 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.425 -178.167 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 21' ' ' GLU . 61.7 mt-10 -67.31 -28.68 68.2 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.999 -1.063 . . . . 0.0 108.215 179.195 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.08 -48.42 81.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.439 -0.788 . . . . 0.0 109.55 179.359 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 64.5 tttm -61.32 -39.97 92.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.143 -0.973 . . . . 0.0 110.758 -179.093 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.35 -36.51 83.93 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 109.26 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.92 -50.0 65.96 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.031 -1.043 . . . . 0.0 108.829 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.56 -48.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.536 -0.727 . . . . 0.0 111.382 -177.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.03 -38.7 66.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.883 -1.136 . . . . 0.0 112.296 -177.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -98.35 -36.44 9.99 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.872 ' O ' HD23 ' A' ' 40' ' ' LEU . 24.3 tt0 -83.0 -13.27 56.26 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.24 -1.538 . . . . 0.0 109.95 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 39' ' ' GLU . 5.1 mt -143.13 45.21 1.55 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.951 . . . . 0.0 109.073 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -60.0 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.192 -0.943 . . . . 0.0 110.397 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -100.34 -12.51 19.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.152 -0.967 . . . . 0.0 110.373 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.92 -9.92 54.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.087 -1.008 . . . . 0.0 109.476 -179.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.587 HD11 HG11 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -153.28 170.17 21.26 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' H ' HD23 ' A' ' 44' ' ' LEU . 9.0 pt-20 -68.79 119.5 13.26 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.698 -1.201 . . . . 0.0 108.462 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.49 144.08 56.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -89.69 135.3 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.094 -1.004 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -108.61 -24.66 11.26 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.371 -0.831 . . . . 0.0 109.775 -178.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -124.09 149.79 45.77 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.835 0.826 . . . . 0.0 111.06 -178.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 14.0 mm100 -69.99 -21.7 63.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.181 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.42 -40.06 89.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 111.038 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.06 -40.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.887 -1.133 . . . . 0.0 108.518 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.64 -32.79 58.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.25 -34.24 72.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.819 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.04 -40.0 75.41 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.17 -34.33 69.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.443 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -60.58 -39.97 89.98 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.105 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -53.84 -38.89 65.12 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.167 -1.583 . . . . 0.0 107.471 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 m -80.01 -45.95 17.48 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.884 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 21.6 mt -90.06 -15.78 31.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.816 -1.177 . . . . 0.0 110.819 -178.246 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.4 t0 -81.42 62.03 5.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -38.71 83.22 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.76 -13.18 60.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.85 30.7 73.6 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.205 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' NZ ' ' A' ' 26' ' ' LYS . 34.6 p-10 -107.6 7.69 28.78 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.097 -1.237 . . . . 0.0 109.73 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 7.49 88.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.0 mt-10 -139.95 131.85 27.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.38 46.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.144 -0.973 . . . . 0.0 108.914 -179.612 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 54.8 t0 -61.89 157.94 17.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.101 -0.999 . . . . 0.0 109.063 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.3 t80 -46.82 -38.95 11.01 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.306 -0.872 . . . . 0.0 108.816 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.2 -37.04 77.91 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.408 -0.807 . . . . 0.0 110.029 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 42.9 mt-10 -61.71 -42.91 99.58 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.728 -1.232 . . . . 0.0 109.994 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -63.39 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.083 . . . . 0.0 109.006 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 89.3 mtp -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.666 -0.646 . . . . 0.0 110.519 -178.286 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.79 73.01 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.69 -1.256 . . . . 0.0 110.167 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.709 ' CE2' HG21 ' A' ' 80' ' ' VAL . 67.7 t80 -59.96 -32.31 70.69 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.236 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 77' ' ' VAL . 10.8 t -61.28 -40.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 t -66.07 -39.99 90.5 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.501 -0.749 . . . . 0.0 110.171 -178.486 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtp -68.56 -43.05 77.42 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.183 -0.948 . . . . 0.0 112.084 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.709 HG21 ' CE2' ' A' ' 76' ' ' PHE . 14.4 t -77.31 -30.6 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.769 -1.207 . . . . 0.0 109.985 -178.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.6 m -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.9 m -60.01 -39.72 86.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.85 86.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.02 -34.94 74.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.379 -0.825 . . . . 0.0 109.511 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.19 -39.2 81.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.974 . . . . 0.0 108.752 -179.568 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.93 -40.04 87.58 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.3 -23.27 23.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.156 -0.965 . . . . 0.0 110.374 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -92.35 -0.03 57.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.014 -1.054 . . . . 0.0 109.077 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -68.73 -97.8 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -2.57 58.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.987 -1.071 . . . . 0.0 108.947 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.41 -0.806 . . . . 0.0 . -179.796 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.483 ' C ' ' H ' ' B' ' 2' ' ' GLU . 53.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.48 ' C ' ' H ' ' B' ' 3' ' ' LEU . 62.9 m 52.16 8.42 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.338 -0.851 . . . . 0.0 109.914 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 0' ' ' MET . 18.5 pt-20 -75.87 22.37 0.15 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 108.97 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.667 HD13 ' O ' ' B' ' 3' ' ' LEU . 2.3 tm? -59.95 -37.9 80.89 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -61.25 -39.53 90.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.462 -0.774 . . . . 0.0 109.88 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.54 -40.0 93.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.037 -1.04 . . . . 0.0 108.533 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.97 91.99 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.566 -0.709 . . . . 0.0 109.48 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.6 mtt -62.26 -39.94 94.54 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.56 -37.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.72 -0.613 . . . . 0.0 110.046 -179.14 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.49 81.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -0.835 . . . . 0.0 111.508 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.841 -1.162 . . . . 0.0 108.448 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.69 -39.94 80.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.691 -0.631 . . . . 0.0 110.997 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.79 -45.36 90.05 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.617 -1.302 . . . . 0.0 111.78 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -40.04 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.114 -0.992 . . . . 0.0 110.72 -178.458 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.672 ' CE1' HD23 ' B' ' 27' ' ' LEU . 87.5 t80 -59.94 -39.78 86.73 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 109.068 -179.171 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -65.57 -27.17 68.24 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.157 -0.964 . . . . 0.0 110.108 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -41.87 92.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.993 -1.067 . . . . 0.0 110.583 -178.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -96.71 -34.01 11.52 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.781 -1.199 . . . . 0.0 112.484 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -64.19 -40.05 95.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.837 -1.164 . . . . 0.0 111.038 -178.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -9.84 86.66 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.357 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -1.191 . . . . 0.0 109.521 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 79.5 tt0 -94.56 -3.12 50.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.473 -0.767 . . . . 0.0 109.005 -179.689 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.77 -6.74 79.74 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 26' ' ' LYS . 91.5 m-20 -82.46 69.7 9.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.888 -1.36 . . . . 0.0 108.466 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -69.95 -42.41 73.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.305 -0.872 . . . . 0.0 110.868 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' B' ' 25' ' ' HIS . 19.9 p80 -78.92 -13.84 59.57 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.111 -0.993 . . . . 0.0 111.304 -178.213 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' B' ' 23' ' ' ASP . 45.9 tttt -141.63 160.0 41.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.805 -1.184 . . . . 0.0 109.441 -179.338 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -120.07 129.8 54.38 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -178.694 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.6 ' N ' HD13 ' B' ' 27' ' ' LEU . 35.2 ttpt -103.0 140.55 37.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.939 -1.101 . . . . 0.0 109.498 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -39.01 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.499 0.666 . . . . 0.0 109.84 -179.897 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.8 m -72.98 -54.16 9.32 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.575 -178.25 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' B' ' 21' ' ' GLU . 61.3 mt-10 -67.67 -28.46 67.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.974 -1.079 . . . . 0.0 108.105 179.103 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.99 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.536 -0.727 . . . . 0.0 109.593 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.411 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 64.5 tttm -61.23 -39.99 92.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.224 -0.923 . . . . 0.0 110.762 -178.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.48 -36.35 83.45 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.115 -0.99 . . . . 0.0 109.239 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.97 -50.01 65.84 Favored 'General case' 0 C--N 1.289 -2.038 0 O-C-N 121.117 -0.989 . . . . 0.0 108.846 178.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.41 -49.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 111.348 -178.05 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.72 -38.89 67.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.968 -1.082 . . . . 0.0 112.343 -177.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.26 -36.85 9.89 Favored 'General case' 0 N--CA 1.506 2.333 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.886 ' O ' HD23 ' B' ' 40' ' ' LEU . 24.0 tt0 -82.45 -13.48 56.69 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.241 -1.537 . . . . 0.0 110.029 -177.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.886 HD23 ' O ' ' B' ' 39' ' ' GLU . 5.3 mt -143.05 45.1 1.57 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.156 -0.965 . . . . 0.0 109.046 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.7 t -60.06 -49.89 75.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.168 -0.958 . . . . 0.0 110.403 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -100.18 -12.3 19.71 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.164 -0.96 . . . . 0.0 110.472 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -87.16 -10.07 53.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.0 -1.062 . . . . 0.0 109.45 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.602 HD11 HG11 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -153.04 170.45 20.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.419 ' H ' HD23 ' B' ' 44' ' ' LEU . 9.1 pt-20 -68.95 119.57 13.47 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.779 -1.201 . . . . 0.0 108.434 179.358 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 144.29 56.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -89.91 135.31 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.13 -0.981 . . . . 0.0 108.914 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -108.52 -24.73 11.27 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.395 -0.815 . . . . 0.0 109.917 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.17 149.92 45.77 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.763 0.792 . . . . 0.0 110.94 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.9 mm100 -69.98 -21.77 63.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.132 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.41 -39.94 89.18 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.478 -0.764 . . . . 0.0 111.048 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.01 -40.04 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.904 -1.123 . . . . 0.0 108.5 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.8 -32.66 57.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 122.001 -0.437 . . . . 0.0 109.884 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.33 -34.22 72.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.367 -0.833 . . . . 0.0 109.688 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -69.97 -39.99 75.64 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.47 -33.95 67.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.539 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -60.78 -40.05 91.12 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.026 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -53.73 -38.87 64.77 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.178 -1.576 . . . . 0.0 107.503 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -79.98 -46.12 17.23 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.863 -179.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 22.0 mt -89.88 -15.63 31.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.835 -1.166 . . . . 0.0 110.916 -178.282 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.6 t0 -81.51 61.57 5.0 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.674 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.71 -38.51 81.8 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -73.75 -13.44 60.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.33 30.1 73.22 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 26' ' ' LYS . 34.8 p-10 -107.47 7.92 29.17 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.13 -1.218 . . . . 0.0 109.883 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.96 7.39 88.55 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.446 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.0 mt-10 -139.92 131.91 27.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.24 46.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.204 -0.935 . . . . 0.0 108.904 -179.528 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 55.2 t0 -61.81 158.1 16.62 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.995 -1.066 . . . . 0.0 109.085 -179.261 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.3 t80 -46.89 -38.9 11.16 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 108.938 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 110.015 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 42.9 mt-10 -61.56 -42.8 99.37 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.718 -1.239 . . . . 0.0 110.011 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.54 -38.35 90.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.999 -1.063 . . . . 0.0 108.936 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 89.2 mtp -59.96 -38.85 83.69 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.568 -0.708 . . . . 0.0 110.505 -178.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.87 73.1 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.741 -1.224 . . . . 0.0 110.13 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.7 ' CE2' HG21 ' B' ' 80' ' ' VAL . 70.1 t80 -59.94 -32.37 70.72 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.264 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.36 -40.08 84.96 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.409 0.624 . . . . 0.0 110.066 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.0 t -65.96 -40.0 90.91 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.492 -0.755 . . . . 0.0 110.193 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtp -68.72 -43.17 76.54 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 112.064 -177.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.7 HG21 ' CE2' ' B' ' 76' ' ' PHE . 14.4 t -77.46 -30.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -178.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -60.31 -40.04 89.16 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.5 m -59.98 -39.54 86.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.99 87.21 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 88' ' ' PHE . 18.0 m -59.99 -34.93 73.98 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.804 . . . . 0.0 109.5 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.078 -1.014 . . . . 0.0 108.834 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.342 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -88.25 -23.33 23.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.192 -0.943 . . . . 0.0 110.387 -179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 84' ' ' CYS . 5.3 m-85 -92.33 0.02 57.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.086 -1.009 . . . . 0.0 109.02 -179.404 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -68.87 -97.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.384 -0.822 . . . . 0.0 109.572 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -2.58 58.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.963 -1.086 . . . . 0.0 108.889 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 . -179.786 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -135.47 147.72 48.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.33 -40.01 89.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.466 -0.771 . . . . 0.0 109.797 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -94.96 -163.65 1.07 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 59.99 39.69 19.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.637 -0.664 . . . . 0.0 110.1 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -120.78 123.98 43.98 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.673 0.749 . . . . 0.0 109.399 179.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.019 -1.051 . . . . 0.0 110.738 -179.554 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.59 154.36 29.61 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -123.17 143.46 50.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.635 -0.92 . . . . 0.0 109.171 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -61.65 -25.21 67.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.102 -0.999 . . . . 0.0 109.539 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 39.2 p -47.77 -24.9 1.07 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 58.4 m -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.07 -1.019 . . . . 0.0 108.683 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -65.6 -40.07 92.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.457 ' O ' ' SD ' ' X' ' 109' ' ' MET . 75.7 t60 -59.98 -39.94 87.41 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.556 -0.715 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.03 -31.04 69.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.259 -0.901 . . . . 0.0 108.793 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.494 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 48.9 tttm -59.67 -37.62 79.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.711 -1.243 . . . . 0.0 107.683 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.98 -27.41 66.56 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.716 -0.615 . . . . 0.0 110.056 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -62.49 -24.72 67.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.649 -1.282 . . . . 0.0 109.998 179.706 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.645 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.7 -36.94 26.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.696 -1.253 . . . . 0.0 109.471 -179.198 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.645 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -72.32 -39.04 68.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.166 -0.959 . . . . 0.0 109.505 179.227 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -58.92 -27.47 65.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.007 -1.058 . . . . 0.0 108.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.586 -0.696 . . . . 0.0 . 179.466 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -135.75 147.99 48.64 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.371 -0.831 . . . . 0.0 109.718 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.78 -39.97 90.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.449 -0.782 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -95.04 -163.7 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -178.668 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 60.0 40.03 19.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.646 -0.658 . . . . 0.0 110.058 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -121.05 123.9 43.5 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 121.71 0.767 . . . . 0.0 109.365 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -70.02 -39.99 75.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.914 -1.116 . . . . 0.0 110.674 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.6 154.17 29.42 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -123.16 143.49 49.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.622 -0.929 . . . . 0.0 109.202 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 22.2 m -61.56 -25.33 67.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.168 -0.958 . . . . 0.0 109.606 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 37.4 p -47.74 -24.9 1.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 -179.361 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 58.8 m -59.98 -39.98 87.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.077 -1.015 . . . . 0.0 108.698 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -65.59 -40.03 92.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.155 -0.965 . . . . 0.0 108.456 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.467 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 77.1 t60 -59.97 -40.02 87.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 109.359 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.77 -31.3 69.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 108.742 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 53.0 tttm -59.44 -37.96 79.45 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.209 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.8 -27.41 66.72 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.721 -0.612 . . . . 0.0 110.0 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.57 -24.76 67.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.67 -1.269 . . . . 0.0 109.976 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.71 -36.88 26.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.492 -179.202 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -72.54 -38.15 68.07 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 179.284 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 77.1 p -59.99 -27.38 66.8 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.474 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.546 -0.721 . . . . 0.0 . 179.397 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 60.58 18.07 8.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.45 -0.781 . . . . 0.0 109.195 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.27 14.03 0.49 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 1' ' ' SER . 53.9 tp -59.93 -37.28 79.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.586 -0.696 . . . . 0.0 110.906 -178.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.09 86.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.3 mppt? -69.95 -37.45 75.83 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.55 85.16 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.723 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.1 mtt -62.91 -39.89 95.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.02 -39.9 86.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.66 93.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.948 -0.47 . . . . 0.0 111.319 -178.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.32 -40.03 85.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.661 -1.274 . . . . 0.0 108.127 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.89 -38.78 79.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.739 -0.6 . . . . 0.0 110.694 -179.474 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.1 -45.6 92.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.856 -1.152 . . . . 0.0 111.293 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -39.71 77.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 121.77 0.795 . . . . 0.0 110.256 -177.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.62 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 58.5 t80 -59.54 -39.9 85.45 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.54 -25.15 67.32 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.278 -0.889 . . . . 0.0 110.417 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.22 -42.96 99.78 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.607 -1.308 . . . . 0.0 109.73 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -89.68 -41.7 11.78 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.809 -1.182 . . . . 0.0 112.166 -179.164 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -62.52 -41.77 99.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.986 -1.071 . . . . 0.0 111.065 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -7.18 88.75 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' NH1' ' CD ' ' A' ' 34' ' ' GLU . 43.2 ttm180 -60.13 -47.05 87.55 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.199 -1.177 . . . . 0.0 109.449 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.02 174.8 5.9 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.586 0.708 . . . . 0.0 110.059 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -49.33 -26.93 7.26 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.633 -0.667 . . . . 0.0 111.867 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.01 48.33 0.05 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.551 -1.558 . . . . 0.0 109.492 -179.285 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' GLY . 9.9 ttmm -63.81 -40.91 97.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.11 -0.993 . . . . 0.0 111.101 -179.269 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -91.35 2.91 56.05 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.989 -1.069 . . . . 0.0 111.089 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -148.62 160.21 43.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.85 -1.156 . . . . 0.0 109.78 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -109.29 122.74 48.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.2 tttp -102.23 144.16 31.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.61 -1.306 . . . . 0.0 110.153 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HZ2' ' HB ' ' A' ' 53' ' ' VAL . 53.3 tttp -39.29 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.451 0.644 . . . . 0.0 109.38 178.571 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.5 m -77.94 -49.96 13.12 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HB2' HD13 ' A' ' 27' ' ' LEU . 58.0 mt-10 -64.03 -34.69 78.59 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.663 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.86 -44.69 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.709 -0.619 . . . . 0.0 109.514 -179.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -66.05 -39.56 90.23 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.245 -0.909 . . . . 0.0 111.518 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.501 ' CD ' ' NH1' ' A' ' 20' ' ' ARG . 20.9 tt0 -69.04 -31.77 70.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.817 -1.177 . . . . 0.0 109.398 -177.17 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.722 ' C ' HD23 ' A' ' 35' ' ' LEU . 6.1 tt -68.51 -51.6 41.3 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.14 -0.975 . . . . 0.0 108.388 178.083 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.84 -46.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 O-C-N 121.511 -0.743 . . . . 0.0 111.198 -178.081 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.1 -40.15 75.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.952 -1.093 . . . . 0.0 112.121 -178.078 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -98.25 -36.88 9.88 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.761 ' O ' HD23 ' A' ' 40' ' ' LEU . 22.2 tt0 -81.32 -12.13 59.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.335 -1.478 . . . . 0.0 109.653 -178.028 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.5 mt -139.0 56.01 1.7 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.337 -0.852 . . . . 0.0 108.788 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 m -60.13 -40.14 88.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -0.818 . . . . 0.0 110.58 -179.417 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -125.22 -20.71 4.78 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.419 -0.8 . . . . 0.0 110.745 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -66.77 -38.44 86.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.786 -1.196 . . . . 0.0 109.508 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.9 tp -126.32 158.17 36.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.47 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -53.07 109.22 0.4 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.034 -1.041 . . . . 0.0 109.03 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.85 140.77 56.37 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -102.21 131.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.267 -0.896 . . . . 0.0 109.482 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -109.42 -20.76 12.79 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.425 -0.797 . . . . 0.0 110.556 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 57.4 mp0 -110.83 143.27 41.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.052 -1.03 . . . . 0.0 110.612 -178.733 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 5.8 mm100 -69.88 -20.05 63.4 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.583 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.85 -38.93 92.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -0.893 . . . . 0.0 111.064 -178.083 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.87 -38.52 82.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 109.055 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' HB ' ' HZ2' ' A' ' 29' ' ' LYS . 47.0 t -69.41 -34.6 63.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.704 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . 46.2 t0 -66.59 -38.26 86.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.274 -0.891 . . . . 0.0 109.459 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 79.9 tttt -67.6 -39.94 84.76 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.65 -33.84 65.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.8 mmm -68.93 -31.5 70.43 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.82 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -55.37 -36.67 66.6 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 119.87 -1.769 . . . . 0.0 106.697 178.287 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.2 m -79.76 -46.5 16.9 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.4 mt -87.28 -14.83 39.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.832 -1.167 . . . . 0.0 110.695 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.5 t0 -80.79 58.36 3.31 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.362 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 74.6 mt-10 -58.05 -39.53 78.69 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.097 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.38 -16.56 62.98 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 28.6 73.07 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 47.1 p-10 -107.87 10.14 28.65 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.305 -1.115 . . . . 0.0 110.185 -179.691 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.528 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 75.22 6.55 80.2 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 84.9 mt-10 -134.32 133.05 40.27 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.58 124.9 48.98 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 42.0 t0 -62.91 161.66 12.5 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.429 -179.484 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.7 p90 -54.32 -31.32 53.96 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -62.3 -45.52 92.87 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.756 0.788 . . . . 0.0 109.037 177.242 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 36.9 mt-10 -64.73 -40.12 94.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.326 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.02 -28.71 67.65 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.003 -1.06 . . . . 0.0 109.153 179.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -38.56 82.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.36 -0.837 . . . . 0.0 109.482 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -68.94 -33.61 74.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.964 -1.085 . . . . 0.0 110.433 -178.516 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' HG21 ' A' ' 80' ' ' VAL . 90.6 t80 -59.9 -40.05 87.47 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.02 -1.05 . . . . 0.0 109.709 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -60.54 -37.81 76.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.754 -0.591 . . . . 0.0 110.43 -179.067 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 22.7 p -64.11 -40.05 95.38 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.232 -178.541 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mtm -71.45 -44.09 65.46 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.364 -178.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 76' ' ' PHE . 46.2 t -62.62 -36.85 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.65 -1.281 . . . . 0.0 110.37 -178.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.4 m -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -52.2 -40.75 61.98 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.288 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.0 84.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -0.936 . . . . 0.0 108.925 178.605 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 m -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.78 . . . . 0.0 109.4 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -59.82 -40.12 87.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.133 -0.979 . . . . 0.0 109.21 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.08 -39.9 87.69 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.2 -37.98 27.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.584 -0.698 . . . . 0.0 109.765 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.76 60.94 4.23 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.535 -0.728 . . . . 0.0 109.253 -179.118 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.628 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 1.3 pm0 -57.0 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.948 -1.095 . . . . 0.0 108.985 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.03 -43.22 95.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.181 -0.949 . . . . 0.0 109.952 -179.413 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.488 -0.758 . . . . 0.0 . -179.915 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.474 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 59.98 18.62 7.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.17 -0.956 . . . . 0.0 109.215 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -74.88 14.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' B' ' 1' ' ' SER . 51.8 tp -59.92 -37.61 79.97 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.58 -0.7 . . . . 0.0 110.78 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -39.72 86.78 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.942 -1.099 . . . . 0.0 110.561 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.496 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.4 mppt? -69.85 -36.9 75.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.139 -0.976 . . . . 0.0 109.857 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.08 81.61 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.215 -0.928 . . . . 0.0 110.741 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.3 mtt -63.07 -39.99 96.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.831 -1.168 . . . . 0.0 108.767 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.51 -39.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.89 92.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.761 -0.587 . . . . 0.0 111.373 -178.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.79 -39.92 86.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.65 -1.281 . . . . 0.0 108.116 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.81 -39.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.793 -0.567 . . . . 0.0 110.453 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.7 -46.54 90.01 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.921 -1.112 . . . . 0.0 111.47 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -39.2 77.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 CA-C-O 121.796 0.807 . . . . 0.0 110.534 -177.624 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.609 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 56.7 t80 -59.86 -39.9 86.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.306 -0.871 . . . . 0.0 108.993 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.59 -25.19 67.29 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -62.41 -42.52 99.5 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.597 -1.314 . . . . 0.0 109.797 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -89.83 -42.3 11.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.706 -1.246 . . . . 0.0 112.09 -179.319 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -61.67 -42.59 99.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.014 -1.054 . . . . 0.0 111.071 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.87 -6.73 88.98 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.504 ' NH1' ' CD ' ' B' ' 34' ' ' GLU . 43.1 ttm180 -60.02 -47.22 86.74 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.222 -1.164 . . . . 0.0 109.407 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.95 174.69 5.96 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 121.624 0.726 . . . . 0.0 110.082 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.24 -26.89 6.96 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.613 -0.679 . . . . 0.0 111.776 -178.632 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.75 46.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.61 -1.524 . . . . 0.0 109.469 -179.279 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 22' ' ' GLY . 13.2 ttmm -62.93 -41.03 99.34 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.083 -1.01 . . . . 0.0 111.083 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -90.64 1.89 56.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.235 -178.126 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -147.82 160.3 42.91 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.877 -1.139 . . . . 0.0 109.987 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.609 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -109.31 122.81 48.16 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' B' ' 30' ' ' SER . 59.1 tttp -102.69 144.1 31.5 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.547 -1.346 . . . . 0.0 110.116 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' B' ' 50' ' ' GLN . 53.2 tttp -39.1 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.424 0.63 . . . . 0.0 109.359 178.671 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.552 ' N ' ' O ' ' B' ' 28' ' ' LYS . 57.8 m -77.81 -49.11 14.98 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 28' ' ' LYS . 56.4 mt-10 -64.31 -35.36 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.553 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.96 -44.59 94.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.735 -0.603 . . . . 0.0 109.412 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -65.87 -39.88 91.12 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.202 -0.936 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.504 ' CD ' ' NH1' ' B' ' 20' ' ' ARG . 17.5 tt0 -68.71 -31.84 71.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.887 -1.133 . . . . 0.0 109.413 -177.128 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.691 ' C ' HD23 ' B' ' 35' ' ' LEU . 6.9 tt -68.42 -51.72 40.72 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.232 -0.918 . . . . 0.0 108.603 178.3 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -68.07 -45.98 82.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 111.023 -177.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -69.99 -40.14 75.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.955 -1.091 . . . . 0.0 112.1 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -98.65 -36.39 9.88 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.017 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.683 ' O ' HD23 ' B' ' 40' ' ' LEU . 23.9 tt0 -81.27 -12.48 59.08 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.217 -1.552 . . . . 0.0 109.535 -178.196 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.683 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.3 mt -138.57 56.13 1.72 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.6 m -60.16 -40.0 88.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 110.641 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -125.6 -20.05 4.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.437 -0.79 . . . . 0.0 110.755 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.1 -38.47 85.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.81 -1.181 . . . . 0.0 109.442 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 49.1 tp -126.35 158.14 36.64 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.596 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -53.08 109.34 0.41 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.128 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.92 140.74 56.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.6 mt -102.13 131.01 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.296 -0.877 . . . . 0.0 109.583 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -108.71 -20.87 12.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.457 -0.777 . . . . 0.0 110.548 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.3 mp0 -111.24 143.27 42.27 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.124 -0.985 . . . . 0.0 110.781 -178.664 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.451 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . 5.1 mm100 -69.9 -20.09 63.38 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.12 -38.45 90.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 0.0 111.052 -178.243 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.2 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 109.009 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' HZ2' ' B' ' 29' ' ' LYS . 45.5 t -69.07 -35.27 67.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.432 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' HZ3' ' B' ' 29' ' ' LYS . 46.4 t0 -66.21 -38.34 87.72 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.655 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 82.1 tttt -67.57 -40.01 84.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -179.841 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.53 -33.31 62.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.554 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.9 mmm -69.46 -31.07 69.13 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.93 -179.595 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -55.88 -36.3 67.46 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 119.985 -1.697 . . . . 0.0 106.518 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -79.83 -46.35 17.05 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.3 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.3 mt -87.73 -14.99 38.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.849 -1.157 . . . . 0.0 110.793 -178.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.45 58.43 3.16 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.51 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 73.8 mt-10 -58.17 -39.24 78.38 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.57 -15.7 62.79 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 28.51 73.28 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.4 p-10 -108.1 10.2 28.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.207 -1.172 . . . . 0.0 110.022 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.496 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.68 6.66 78.05 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.638 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 86.2 mt-10 -134.09 132.99 40.6 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.36 124.35 47.78 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.058 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.5 t0 -61.95 162.05 9.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.121 -0.987 . . . . 0.0 108.459 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 p90 -55.33 -30.46 60.28 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -62.76 -45.74 91.27 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.731 0.777 . . . . 0.0 108.921 177.346 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.51 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 36.4 mt-10 -64.46 -40.12 95.1 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.18 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -67.43 -29.17 68.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.878 -1.139 . . . . 0.0 109.355 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -38.82 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.567 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.407 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.42 -33.39 74.13 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.25 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' B' ' 80' ' ' VAL . 90.4 t80 -60.04 -40.0 87.87 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.0 -1.063 . . . . 0.0 109.732 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -37.32 75.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.799 -0.563 . . . . 0.0 110.406 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 19.2 p -64.86 -40.23 94.81 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.066 -1.021 . . . . 0.0 110.008 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.72 -45.04 65.62 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.079 -1.048 . . . . 0.0 111.292 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' B' ' 76' ' ' PHE . 42.3 t -61.88 -36.96 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.455 -1.403 . . . . 0.0 110.476 -178.741 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -39.92 87.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 108.209 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -40.6 62.68 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.32 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.39 84.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 108.828 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.97 -39.05 84.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 0.0 109.473 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.82 -40.19 87.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.073 -1.017 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.61 86.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -81.42 -38.38 26.6 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.578 0.704 . . . . 0.0 109.785 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -80.45 60.82 3.98 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.62 -0.675 . . . . 0.0 109.255 -179.005 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.641 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 1.4 pm0 -56.66 99.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -60.12 -43.44 95.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 110.087 -179.365 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.4 -0.812 . . . . 0.0 . 179.956 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -75.47 153.31 37.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.131 -0.981 . . . . 0.0 109.458 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.88 -39.82 86.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 108.776 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt 55.42 53.89 9.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.52 -0.737 . . . . 0.0 109.098 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -67.2 -8.66 33.13 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.359 -0.838 . . . . 0.0 109.311 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? 65.02 47.37 2.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.848 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -92.44 127.85 38.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.843 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.59 -170.23 50.02 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -135.72 139.76 43.87 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.376 -1.073 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 50.2 m -68.3 -24.75 64.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.235 -0.916 . . . . 0.0 109.001 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.592 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 4.3 m -48.25 -29.01 3.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 109.118 -179.344 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -48.08 -24.61 1.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.241 -0.912 . . . . 0.0 109.947 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.22 -39.37 75.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 109.66 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.592 ' ND1' ' O ' ' X' ' 102' ' ' THR . 19.3 p-80 -58.02 -39.66 78.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.914 -1.117 . . . . 0.0 109.187 -179.681 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 15.7 ttmt -58.64 -32.33 68.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.29 -0.881 . . . . 0.0 109.96 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -59.84 -48.32 82.16 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.153 -0.967 . . . . 0.0 109.361 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.429 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 12.9 tp -70.0 -26.24 63.98 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.927 -1.108 . . . . 0.0 110.454 -179.659 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -58.38 -24.28 59.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.593 -1.317 . . . . 0.0 109.841 -179.725 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' X' ' 109' ' ' MET . 0.3 OUTLIER -40.25 -35.53 0.42 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.326 -0.859 . . . . 0.0 109.519 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.441 ' CG ' ' CZ ' ' X' ' 110' ' ' PHE . 8.6 mtmm -80.35 -37.34 32.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.239 -0.913 . . . . 0.0 109.427 177.409 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.516 ' N ' ' O ' ' X' ' 109' ' ' MET . 67.8 p -59.72 -30.86 69.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.808 -0.557 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.298 0.571 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -75.4 153.63 37.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.207 -0.933 . . . . 0.0 109.656 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -39.69 87.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.118 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt 55.41 53.31 10.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.539 -0.726 . . . . 0.0 109.149 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 50.7 m -66.79 -9.61 38.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.42 -0.8 . . . . 0.0 109.313 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? 66.49 45.6 2.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.251 -0.905 . . . . 0.0 108.893 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -89.98 127.41 36.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.395 -0.815 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.41 -170.37 50.47 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -135.41 140.13 44.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.998 . . . . 0.0 109.245 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 57.4 m -68.7 -24.83 64.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.592 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 3.7 m -48.42 -28.74 3.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.093 -1.005 . . . . 0.0 109.134 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -48.18 -24.59 1.19 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.763 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.81 -39.73 74.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 109.972 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.655 ' NE2' ' NZ ' ' B' ' 55' ' ' LYS . 20.4 p-80 -58.16 -39.57 79.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.951 -1.093 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 15.8 ttmt -58.53 -32.25 68.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.0 109.893 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -59.59 -48.71 80.59 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.342 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.452 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 12.3 tp -70.02 -25.65 63.68 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.993 -1.067 . . . . 0.0 110.396 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -24.31 62.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.475 -1.39 . . . . 0.0 109.857 -179.778 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' Y' ' 109' ' ' MET . 0.4 OUTLIER -39.91 -35.48 0.36 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.338 -0.851 . . . . 0.0 109.56 -179.386 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.454 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 9.0 mtmm -80.44 -37.43 32.01 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.266 -0.896 . . . . 0.0 109.532 177.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.512 ' N ' ' O ' ' Y' ' 109' ' ' MET . 72.1 p -60.11 -30.24 69.13 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.703 -0.623 . . . . 0.0 . 178.585 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.407 ' C ' ' N ' ' A' ' 2' ' ' GLU . 27.6 ttt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 50.8 14.67 0.19 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 109.647 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 0' ' ' MET . 97.8 mt-10 -75.93 17.41 0.33 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.141 -0.974 . . . . 0.0 108.879 178.798 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -65.41 -29.42 70.12 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.683 -179.049 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -72.68 -36.41 67.88 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.028 -1.045 . . . . 0.0 110.063 -179.521 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -34.01 67.29 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.202 -0.936 . . . . 0.0 108.648 -179.122 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.26 71.66 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.9 -0.5 . . . . 0.0 111.275 -178.468 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.7 mtt -62.93 -39.91 96.02 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.898 -1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.17 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-O 121.381 0.61 . . . . 0.0 109.719 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.66 87.22 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.67 -0.644 . . . . 0.0 111.648 -178.496 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.95 -40.1 87.83 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.569 -1.332 . . . . 0.0 108.193 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.8 -37.65 78.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 O-C-N 121.848 -0.532 . . . . 0.0 110.354 179.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.05 -47.86 84.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.986 -1.071 . . . . 0.0 111.628 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -40.11 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.909 -1.119 . . . . 0.0 110.5 -178.245 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.442 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 71.5 t80 -58.36 -36.57 73.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 108.91 -179.49 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -69.79 -27.19 64.7 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.455 -0.778 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -60.31 -42.2 95.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.636 -1.29 . . . . 0.0 110.281 -179.056 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.98 -37.88 11.97 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.696 -1.253 . . . . 0.0 112.104 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.442 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 57.9 m -60.03 -40.0 87.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.981 -1.075 . . . . 0.0 110.303 -178.78 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.22 -8.09 88.04 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.04 -47.11 87.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.964 -1.315 . . . . 0.0 109.06 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 97.9 mt-10 -114.97 159.84 20.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.39 -15.09 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.5 57.92 0.74 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.726 -1.455 . . . . 0.0 109.807 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -68.55 -46.09 70.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.954 -1.091 . . . . 0.0 109.498 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.23 -19.98 49.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.565 -0.709 . . . . 0.0 111.432 -178.459 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.5 pttp -134.6 159.23 41.85 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.971 -1.081 . . . . 0.0 109.274 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.7 tp -120.06 130.83 54.87 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.358 -0.839 . . . . 0.0 108.756 -178.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 48.3 mtmt -94.08 153.49 18.11 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.697 -1.252 . . . . 0.0 110.032 -179.53 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -49.95 -22.9 1.71 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 47.3 t -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 41.0 mt-10 -60.21 -37.92 81.78 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.136 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.99 -41.7 92.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.913 -0.492 . . . . 0.0 109.756 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.87 -39.91 90.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.048 -1.033 . . . . 0.0 110.49 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.3 mp0 -65.53 -37.02 85.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.071 -1.018 . . . . 0.0 109.039 -179.042 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.53 -50.9 65.51 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.005 -1.059 . . . . 0.0 109.686 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' A' ' 47' ' ' ILE . 95.3 mt -69.97 -43.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.511 -0.743 . . . . 0.0 111.998 -177.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 5.0 m120 -69.78 -39.96 76.33 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.329 -178.075 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -100.35 -35.95 9.42 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.288 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.578 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.5 tp10 -83.12 -10.81 58.47 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.092 -1.63 . . . . 0.0 110.224 -177.468 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 39' ' ' GLU . 8.4 mt -137.19 43.23 2.36 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.249 -0.907 . . . . 0.0 108.637 179.177 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -60.0 -40.94 90.94 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 111.749 -178.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -120.12 -22.17 6.75 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.124 -0.985 . . . . 0.0 110.455 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -68.24 -37.84 81.21 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 tp -131.89 160.16 36.53 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 7.2 pt-20 -52.63 110.63 0.53 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.995 -1.066 . . . . 0.0 108.956 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.75 135.15 57.49 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.413 -0.804 . . . . 0.0 108.907 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.544 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 69.1 mt -80.52 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.706 -1.247 . . . . 0.0 107.658 178.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.88 -23.5 10.96 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.057 -177.018 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -123.66 141.87 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.955 0.883 . . . . 0.0 111.242 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -60.48 -29.19 68.91 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -39.96 88.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.376 -0.828 . . . . 0.0 110.735 -178.865 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.75 -39.84 83.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 120.641 -1.287 . . . . 0.0 108.33 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.01 -38.18 80.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 47.1 t0 -65.05 -36.97 86.04 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.467 0.651 . . . . 0.0 109.862 -179.201 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -67.57 -40.0 84.89 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -66.66 -34.19 68.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.618 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.9 mmm -70.57 -24.13 62.72 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -39.99 87.43 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 178.273 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.8 m -82.57 -36.86 25.84 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.417 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 76' ' ' PHE . 1.6 mp -87.76 -18.8 28.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 110.694 -178.09 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -80.17 60.32 3.63 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.631 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 76.1 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.154 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.22 -12.69 60.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.79 29.16 72.65 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.5 p-10 -106.96 1.36 24.43 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.184 -1.186 . . . . 0.0 110.21 -179.431 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.611 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.0 5.55 89.52 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.256 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 68.7 mt-10 -134.67 136.92 43.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.716 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.39 129.23 50.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.923 -1.111 . . . . 0.0 108.522 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.3 t70 -73.7 170.1 15.95 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.643 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 11.1 t80 -50.98 -39.99 56.74 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -60.77 -49.94 75.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 0.0 110.094 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 41.7 mt-10 -61.45 -40.09 93.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.041 . . . . 0.0 110.43 -178.727 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.22 -35.41 80.98 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.527 ' SD ' ' O ' ' A' ' 74' ' ' MET . 4.7 tpp -59.81 -38.69 82.67 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.296 -178.77 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.47 68.05 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.484 -1.385 . . . . 0.0 110.809 -178.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 60' ' ' LEU . 39.6 t80 -67.51 -26.03 66.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.996 -1.065 . . . . 0.0 110.574 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -31.89 17.95 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.293 -0.88 . . . . 0.0 108.664 -179.413 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.572 ' HG ' ' CB ' ' B' ' 78' ' ' SER . 0.9 OUTLIER -68.88 -44.84 72.42 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.806 -0.559 . . . . 0.0 110.473 -178.847 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -42.19 73.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.533 -1.355 . . . . 0.0 111.344 -178.711 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.07 -35.11 74.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.861 -1.149 . . . . 0.0 109.283 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.89 -40.01 87.32 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.997 0.904 . . . . 0.0 108.669 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.11 -39.09 68.98 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.03 78.64 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.033 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.7 t -59.11 -35.81 74.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.586 -0.696 . . . . 0.0 109.449 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.83 -40.01 87.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.931 -1.106 . . . . 0.0 108.98 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.68 -39.91 95.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.679 179.19 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -84.03 -39.1 20.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.485 -0.759 . . . . 0.0 109.103 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' CYS . 3.0 t80 -90.21 70.03 7.19 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 89' ' ' GLU . 4.5 pt-20 -79.66 98.39 6.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 108.566 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.89 -40.03 87.37 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.178 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.298 -0.876 . . . . 0.0 . 179.886 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.422 ' C ' ' N ' ' B' ' 2' ' ' GLU . 28.3 ttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 50.99 14.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -0.934 . . . . 0.0 109.701 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' B' ' 0' ' ' MET . 98.2 mt-10 -75.46 17.24 0.29 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.937 . . . . 0.0 108.859 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -64.86 -29.84 70.82 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 -179.195 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.25 -36.42 69.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.016 -1.052 . . . . 0.0 110.116 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -33.86 67.18 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.25 -0.907 . . . . 0.0 108.736 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.12 -43.24 71.41 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.885 -0.509 . . . . 0.0 111.235 -178.402 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.005 -1.059 . . . . 0.0 109.541 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.26 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.36 0.6 . . . . 0.0 109.58 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.71 87.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.683 . . . . 0.0 111.646 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.89 -40.03 87.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.49 -1.381 . . . . 0.0 108.235 -179.05 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.69 -37.88 79.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.84 -0.538 . . . . 0.0 110.411 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.04 -47.78 84.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.01 -1.056 . . . . 0.0 111.624 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.97 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.931 -1.106 . . . . 0.0 110.592 -178.29 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 71.1 t80 -58.45 -36.49 73.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.048 -1.033 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.9 -27.31 64.69 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.45 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -60.08 -42.42 94.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.643 -1.286 . . . . 0.0 110.244 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.71 -37.8 12.17 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 120.749 -1.22 . . . . 0.0 112.182 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.457 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 57.1 m -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 110.25 -178.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -8.01 88.08 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.95 -47.36 86.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.962 -1.316 . . . . 0.0 109.019 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -114.88 160.09 19.9 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.563 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.27 -15.27 0.04 OUTLIER Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.3 m-20 -74.7 58.06 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.635 -1.509 . . . . 0.0 109.825 -179.233 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -68.75 -46.22 69.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.885 -1.134 . . . . 0.0 109.484 179.641 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -78.97 -19.98 50.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 111.412 -178.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.4 pttp -134.52 159.19 41.91 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.89 -1.131 . . . . 0.0 109.229 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -120.06 130.69 54.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 49.4 mtmt -93.67 153.34 18.42 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.645 -1.284 . . . . 0.0 110.203 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -49.95 -22.54 1.58 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.517 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 47.6 t -74.79 -54.05 8.04 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 41.1 mt-10 -60.13 -37.84 81.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.837 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.766 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.96 -40.05 91.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.192 -0.942 . . . . 0.0 110.404 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.3 mp0 -65.22 -36.85 85.43 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.12 -0.988 . . . . 0.0 109.151 -179.14 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.8 -50.66 65.87 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.893 -1.129 . . . . 0.0 109.836 179.069 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.07 -43.37 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.556 -0.715 . . . . 0.0 111.863 -177.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 5.0 m120 -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.466 -178.064 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -100.47 -35.57 9.51 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.606 ' O ' HD23 ' B' ' 40' ' ' LEU . 10.8 tp10 -83.22 -10.62 58.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.178 -1.576 . . . . 0.0 110.175 -177.527 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.606 HD23 ' O ' ' B' ' 39' ' ' GLU . 8.3 mt -137.72 43.42 2.26 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.197 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -60.11 -41.01 91.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 111.616 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -119.96 -22.3 6.79 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.091 -1.006 . . . . 0.0 110.48 -179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -67.83 -38.16 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.076 -1.015 . . . . 0.0 109.49 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -131.71 160.17 36.27 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 7.1 pt-20 -52.54 110.29 0.49 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.994 -1.067 . . . . 0.0 108.864 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -61.61 135.08 57.51 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 108.962 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.549 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 60.2 mt -80.5 139.64 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.652 -1.28 . . . . 0.0 107.805 178.862 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.438 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.61 -23.51 11.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.569 -0.707 . . . . 0.0 111.111 -176.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.74 141.64 51.84 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.995 0.902 . . . . 0.0 111.162 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.39 -29.24 68.83 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -39.84 87.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.287 -0.883 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -60.66 -40.04 83.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.719 -1.238 . . . . 0.0 108.361 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.09 -38.03 79.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 46.7 t0 -65.14 -36.57 84.68 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.545 0.688 . . . . 0.0 109.924 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.8 -40.02 83.95 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.74 -34.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.626 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.8 mmm -70.79 -24.17 62.53 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.435 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -40.03 87.46 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.0 m -82.56 -36.93 25.83 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.307 178.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' B' ' 76' ' ' PHE . 1.6 mp -87.79 -18.45 29.34 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.262 -0.899 . . . . 0.0 110.761 -178.079 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.626 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -80.41 60.35 3.79 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 77.3 mt-10 -60.0 -39.9 87.35 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.001 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.58 -12.4 60.75 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.425 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.56 29.28 72.88 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.5 p-10 -107.09 1.39 24.18 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.22 -1.165 . . . . 0.0 110.232 -179.463 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.604 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.05 5.32 89.64 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -179.345 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.0 mt-10 -134.49 136.94 43.51 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.53 128.87 50.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.877 -1.139 . . . . 0.0 108.466 179.713 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.4 t70 -73.42 169.77 16.48 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.386 -0.821 . . . . 0.0 109.742 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.8 t80 -50.6 -40.08 51.68 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -60.71 -49.93 75.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 0.0 110.122 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 40.3 mt-10 -61.38 -39.98 92.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.046 -1.034 . . . . 0.0 110.529 -178.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -65.59 -35.21 80.16 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 109.377 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.527 ' SD ' ' O ' ' B' ' 74' ' ' MET . 4.6 tpp -60.02 -38.51 82.9 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.264 -178.716 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.31 67.7 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.518 -1.364 . . . . 0.0 110.818 -178.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.551 ' HB2' HD21 ' B' ' 60' ' ' LEU . 40.1 t80 -67.41 -26.02 66.23 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.926 -1.108 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -77.71 -31.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 O-C-N 121.174 -0.954 . . . . 0.0 108.735 -179.24 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.572 ' CB ' ' HG ' ' A' ' 78' ' ' SER . 0.9 OUTLIER -68.75 -44.89 72.81 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.785 -0.572 . . . . 0.0 110.547 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -42.66 73.05 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.783 -1.198 . . . . 0.0 111.204 -178.59 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.83 -35.06 74.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.823 -1.173 . . . . 0.0 109.221 -179.047 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -40.02 87.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.044 0.926 . . . . 0.0 108.827 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.37 -38.93 69.48 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.85 78.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.049 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.3 -35.52 73.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.579 -0.7 . . . . 0.0 109.338 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.99 -40.1 87.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.795 -1.19 . . . . 0.0 108.996 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.56 -40.04 95.57 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.181 -0.95 . . . . 0.0 109.401 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -84.01 -39.49 19.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.133 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -89.87 70.2 7.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' B' ' 89' ' ' GLU . 4.1 pt-20 -79.64 98.48 6.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.067 -1.02 . . . . 0.0 108.462 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.13 -39.95 88.06 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.222 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 0.0 . 179.791 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -131.76 110.41 10.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.514 -0.741 . . . . 0.0 109.514 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.497 ' N ' HD12 ' X' ' 94' ' ' LEU . 9.4 mp -101.75 141.46 34.58 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.552 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -99.67 90.86 4.62 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.232 -0.917 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -150.73 32.21 0.63 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.927 . . . . 0.0 109.013 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.81 149.83 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.751 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -75.1 165.43 25.24 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.456 -0.778 . . . . 0.0 109.41 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.3 151.53 22.54 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -142.57 169.97 16.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.34 -1.094 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.51 ' O ' ' N ' ' X' ' 103' ' ' SER . 60.6 m -49.93 -28.7 7.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.564 -179.812 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.417 ' C ' ' O ' ' X' ' 101' ' ' SER . 14.6 t -40.79 -24.45 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.52 -0.738 . . . . 0.0 109.757 179.548 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.51 ' N ' ' O ' ' X' ' 101' ' ' SER . 67.4 m -45.36 -24.49 0.3 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.368 -0.833 . . . . 0.0 108.855 178.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.419 ' O ' ' OE2' ' A' ' 45' ' ' GLU . 57.2 mtt-85 -53.3 -35.44 60.12 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 6.0 p80 -58.53 -37.18 75.1 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.885 -1.134 . . . . 0.0 108.369 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.62 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 81.5 tttt -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.094 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 44.4 tp -65.36 -32.61 74.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.684 -0.635 . . . . 0.0 110.203 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -60.05 -24.58 64.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.049 -1.032 . . . . 0.0 110.849 -178.561 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.595 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.3 OUTLIER -49.65 -35.66 22.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.541 -1.349 . . . . 0.0 109.176 -178.826 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.595 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -78.59 -35.73 45.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.032 -1.042 . . . . 0.0 109.911 178.666 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 55.6 p -58.23 -34.33 70.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.006 -1.059 . . . . 0.0 108.632 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 58.4 mm-40 . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.386 -0.822 . . . . 0.0 . 179.143 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -131.72 110.53 10.95 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.461 -0.774 . . . . 0.0 109.595 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.486 HD12 ' N ' ' Y' ' 94' ' ' LEU . 9.4 mp -101.86 141.36 34.82 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.492 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -99.62 90.45 4.49 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.363 -0.836 . . . . 0.0 109.828 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 40.9 m -150.4 32.45 0.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 108.967 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.94 149.67 47.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.318 -0.864 . . . . 0.0 109.868 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -74.87 165.23 25.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.45 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.45 151.29 23.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.2 170.07 16.4 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.341 -1.094 . . . . 0.0 109.633 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.499 ' O ' ' N ' ' Y' ' 103' ' ' SER . 56.8 m -50.02 -28.2 6.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 0.0 109.505 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.429 ' C ' ' O ' ' Y' ' 101' ' ' SER . 14.5 t -41.05 -24.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.552 -0.718 . . . . 0.0 109.629 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.499 ' N ' ' O ' ' Y' ' 101' ' ' SER . 74.2 m -45.11 -24.6 0.26 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' Y' ' 102' ' ' THR . 57.0 mtt-85 -53.52 -35.52 60.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 109.067 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.621 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 6.4 p80 -58.35 -36.89 74.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.825 -1.172 . . . . 0.0 108.487 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.621 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 83.0 tttt -60.03 -28.74 68.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.97 -40.0 83.44 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 179.086 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.75 -32.16 73.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.735 -0.603 . . . . 0.0 110.197 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -59.97 -24.62 64.56 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.035 -1.041 . . . . 0.0 110.779 -178.787 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -49.86 -35.21 22.43 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.476 -1.39 . . . . 0.0 109.418 -178.646 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.52 -34.29 41.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.869 178.888 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 45.3 p -59.96 -33.25 71.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.993 -1.067 . . . . 0.0 108.482 -179.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 58.0 mm-40 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.447 -0.783 . . . . 0.0 . 178.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.219 0.533 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m 55.76 39.94 30.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -72.76 -13.44 61.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.565 -0.71 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -43.27 -21.45 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.27 -0.894 . . . . 0.0 110.444 -178.369 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' GLU . 87.7 tt0 -70.07 -40.16 75.2 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.458 179.183 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 2' ' ' GLU . 28.5 ttpt -79.35 -46.52 17.48 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.876 -0.515 . . . . 0.0 110.697 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -65.04 -48.51 73.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.361 -0.837 . . . . 0.0 111.41 -178.093 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.3 mtt -60.05 -40.02 88.0 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 -178.704 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 4' ' ' GLU . 54.6 t -64.21 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.67 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -68.25 -34.61 76.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 111.525 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.92 -39.94 87.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.463 -1.398 . . . . 0.0 107.671 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.65 -40.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.814 -0.554 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.73 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.753 -1.217 . . . . 0.0 111.609 -178.562 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.59 -33.51 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.804 -1.185 . . . . 0.0 110.275 -178.539 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' A' ' 18' ' ' SER . 65.0 t80 -59.86 -40.03 87.24 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.49 -1.381 . . . . 0.0 108.882 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -76.73 -22.16 54.25 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 27.9 tp60 -54.6 -44.43 73.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.269 -0.894 . . . . 0.0 110.765 -178.094 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' HD12 ' A' ' 35' ' ' LEU . 16.0 p90 -118.31 -24.5 6.88 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 121.108 -0.995 . . . . 0.0 111.344 -179.199 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 48.3 m -60.09 -40.2 88.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.614 -1.304 . . . . 0.0 109.39 -179.574 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 2.8 63.31 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 70.2 ttt180 -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.161 -1.199 . . . . 0.0 108.41 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 99.5 mt-10 -114.13 163.17 15.56 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.425 0.631 . . . . 0.0 109.381 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.41 -19.22 0.03 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 69.4 m-20 -77.94 85.05 4.2 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.773 -1.428 . . . . 0.0 109.853 -179.216 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -94.35 -42.45 8.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.405 -0.809 . . . . 0.0 110.284 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -92.89 0.12 57.34 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.146 -0.971 . . . . 0.0 110.246 -178.719 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -139.96 157.02 46.35 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -122.91 117.77 26.34 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.418 -0.801 . . . . 0.0 109.766 -178.073 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.4 mtmp? -90.46 149.81 22.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.675 -1.266 . . . . 0.0 108.449 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -44.37 -21.74 0.05 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' LYS . 85.7 p -70.61 -49.49 47.09 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.778 -179.437 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.64 -33.48 74.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.974 -1.079 . . . . 0.0 108.858 179.211 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.96 -40.98 90.89 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -62.41 -39.98 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.592 -0.693 . . . . 0.0 109.622 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 77.2 mm-40 -60.58 -39.99 90.06 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 110.294 -179.027 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -70.02 -44.37 69.43 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.707 -1.246 . . . . 0.0 109.065 179.675 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' N ' HD23 ' A' ' 35' ' ' LEU . 88.8 mt -70.03 -41.24 79.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.174 -0.954 . . . . 0.0 112.461 -177.755 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -84.08 -32.87 24.55 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.343 -1.473 . . . . 0.0 111.771 -178.193 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -101.01 -36.72 8.91 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.339 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.64 -17.76 33.02 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.319 -1.488 . . . . 0.0 110.537 -177.228 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.05 58.86 0.65 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.358 -0.838 . . . . 0.0 109.092 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -60.0 -40.09 88.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.215 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -141.47 -9.99 0.95 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.042 -1.036 . . . . 0.0 110.307 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.88 -30.02 67.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.99 -1.069 . . . . 0.0 109.932 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.8 165.39 27.61 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -66.07 119.0 10.64 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.312 -1.355 . . . . 0.0 109.497 -179.542 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.8 153.07 44.3 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 110.039 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.452 HD12 HG21 ' A' ' 36' ' ' ILE . 60.6 mt -102.63 129.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.255 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -106.81 -20.08 13.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.722 . . . . 0.0 110.042 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 45.2 tp10 -119.59 138.58 53.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.336 -0.853 . . . . 0.0 108.968 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.15 -22.31 66.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.459 -0.776 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -59.97 -38.07 81.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.177 -0.952 . . . . 0.0 109.957 -178.813 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.06 -39.69 81.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.77 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 120.426 -0.509 . . . . 0.0 109.852 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.37 -39.01 93.04 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.211 1.005 . . . . 0.0 109.194 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.95 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.724 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.53 -32.82 73.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.216 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.21 -39.97 80.4 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.176 -1.577 . . . . 0.0 107.128 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -77.41 -46.61 22.15 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.818 -0.551 . . . . 0.0 111.326 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 76' ' ' PHE . 31.6 mt -89.31 -15.55 33.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.94 -1.1 . . . . 0.0 111.705 -177.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.0 t0 -81.92 59.52 4.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.144 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.15 -37.08 76.43 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.042 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 69.1 m-20 -77.01 -10.03 59.09 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.33 29.91 70.0 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -107.25 8.68 30.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.368 -1.078 . . . . 0.0 110.124 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.2 18.98 77.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -150.43 125.89 10.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.153 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.92 130.32 45.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.03 -1.044 . . . . 0.0 108.481 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.83 159.91 33.73 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.571 -0.706 . . . . 0.0 109.664 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 2.3 t80 -46.5 -39.9 11.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.427 -0.795 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -67.92 -39.98 83.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 110.34 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 45.2 mt-10 -63.06 -42.11 99.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.7 -1.25 . . . . 0.0 110.381 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.6 -36.35 82.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.269 -0.894 . . . . 0.0 109.112 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 75.6 mmm -60.0 -38.95 84.12 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.584 -178.847 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.51 69.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.772 -1.205 . . . . 0.0 111.383 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.722 ' HB2' HD21 ' A' ' 60' ' ' LEU . 42.3 t80 -69.98 -20.25 63.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.596 -1.315 . . . . 0.0 109.57 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.9 t -75.02 -36.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.29 -0.881 . . . . 0.0 109.153 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -62.37 -45.14 94.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.0 110.298 -179.515 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.4 ptm -70.62 -39.99 73.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 111.46 -178.707 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 76' ' ' PHE . 80.0 t -60.01 -40.02 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.736 -1.228 . . . . 0.0 109.397 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -39.8 86.67 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.507 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.425 HG23 ' CE2' ' B' ' 70' ' ' PHE . 5.1 m -49.75 -34.5 19.3 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.25 87.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 88' ' ' PHE . 63.5 m -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.471 -0.768 . . . . 0.0 109.162 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -59.95 -40.09 87.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.372 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 85.9 tt0 -60.09 -40.02 88.13 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 0.0 109.008 178.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -86.05 -25.2 26.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 109.655 -179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.4 t80 -93.49 63.34 3.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.144 -0.973 . . . . 0.0 108.525 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 1.5 mp0 -58.36 113.93 2.19 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.045 -1.035 . . . . 0.0 108.445 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.0 . -179.795 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.56 39.84 31.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.209 -0.932 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.8 mt-10 -72.88 -13.07 61.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.465 -0.772 . . . . 0.0 110.471 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 2' ' ' GLU . 80.0 mt -43.45 -21.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.899 . . . . 0.0 110.391 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' B' ' 2' ' ' GLU . 87.6 tt0 -69.97 -39.95 75.69 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.442 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 2' ' ' GLU . 29.1 ttpt -79.33 -46.91 16.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.866 -0.521 . . . . 0.0 110.765 -179.499 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.71 -48.54 74.26 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 111.418 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.4 mtt -59.98 -40.04 87.79 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.276 -0.89 . . . . 0.0 109.814 -178.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 4' ' ' GLU . 54.5 t -64.17 -39.17 84.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 O-C-N 121.399 -0.813 . . . . 0.0 109.68 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -67.88 -34.89 77.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.503 -0.748 . . . . 0.0 111.618 -178.151 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.9 -39.96 87.15 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.517 -1.365 . . . . 0.0 107.582 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.75 -40.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.788 -0.57 . . . . 0.0 110.696 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 61.3 t0 -61.61 -43.33 99.06 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.869 -1.144 . . . . 0.0 111.576 -178.606 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.71 -33.68 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.83 -1.169 . . . . 0.0 110.236 -178.449 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' B' ' 18' ' ' SER . 65.2 t80 -59.86 -39.98 87.05 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.442 -1.411 . . . . 0.0 108.956 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -76.49 -22.21 54.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.214 -0.929 . . . . 0.0 110.35 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.497 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 27.2 tp60 -54.79 -44.01 73.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.756 -177.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -118.58 -24.38 6.78 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.14 -0.975 . . . . 0.0 111.302 -179.206 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 50.1 m -60.18 -40.47 90.1 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.651 -1.281 . . . . 0.0 109.412 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 2.71 62.32 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.566 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 70.2 ttt180 -60.02 -42.88 95.32 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.147 -1.208 . . . . 0.0 108.446 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.8 mt-10 -114.19 163.11 15.67 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.461 0.648 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.06 -19.61 0.03 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' B' ' 21' ' ' GLU . 69.5 m-20 -77.64 85.17 3.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.765 -1.432 . . . . 0.0 109.857 -179.217 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -94.33 -42.55 8.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.434 -0.791 . . . . 0.0 110.257 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -92.72 0.02 57.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.264 -0.897 . . . . 0.0 110.361 -178.684 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -139.86 157.1 46.26 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -122.18 117.54 26.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 -178.177 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 30' ' ' SER . 6.6 mtmp? -90.47 150.0 21.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.642 -1.286 . . . . 0.0 108.358 178.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 28' ' ' LYS . 61.9 pttt -44.51 -21.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.202 -0.937 . . . . 0.0 108.851 178.803 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 28' ' ' LYS . 81.6 p -70.5 -49.29 49.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.847 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.91 -33.17 73.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.017 -1.052 . . . . 0.0 108.848 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.1 -41.06 91.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.34 -40.06 95.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.588 -0.695 . . . . 0.0 109.562 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 77.3 mm-40 -60.53 -39.97 89.81 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.06 -1.025 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.463 HD23 ' N ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -70.06 -44.4 69.23 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.632 -1.292 . . . . 0.0 109.148 179.596 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.482 HG21 HD12 ' B' ' 47' ' ' ILE . 90.8 mt -70.01 -41.41 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.377 -177.728 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.73 -33.19 25.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.487 -1.383 . . . . 0.0 111.838 -178.232 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -100.99 -36.85 8.87 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -177.173 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -86.45 -17.79 33.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.335 -1.478 . . . . 0.0 110.579 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 33.5 mt -113.13 58.86 0.65 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.391 -0.818 . . . . 0.0 108.92 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -40.14 87.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -141.41 -9.72 0.96 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.02 -30.07 67.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.031 -1.043 . . . . 0.0 109.954 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.75 165.66 26.86 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.453 ' O ' ' OE2' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -66.36 119.16 11.1 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.269 -1.372 . . . . 0.0 109.478 -179.521 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.97 153.03 44.63 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 109.985 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.482 HD12 HG21 ' B' ' 36' ' ' ILE . 61.6 mt -102.51 129.99 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.135 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.92 -20.31 13.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.464 -0.772 . . . . 0.0 110.011 -178.281 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 45.7 tp10 -119.39 138.68 52.93 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.341 -0.849 . . . . 0.0 108.96 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -65.16 -22.25 66.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.472 -0.768 . . . . 0.0 110.56 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 0.7 OUTLIER -59.99 -38.25 82.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.091 -1.006 . . . . 0.0 110.009 -178.79 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.98 -39.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.15 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.806 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.36 -39.06 93.13 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.191 0.996 . . . . 0.0 109.262 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.17 -40.03 86.54 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.98 -28.82 44.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.99 -32.5 72.11 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.265 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.46 -40.01 81.5 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.135 -1.603 . . . . 0.0 107.023 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -77.26 -46.54 22.8 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.744 -0.597 . . . . 0.0 111.394 179.53 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' B' ' 76' ' ' PHE . 32.1 mt -89.3 -15.51 33.31 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.781 -1.2 . . . . 0.0 111.685 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.1 t0 -81.95 59.76 4.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.1 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -59.44 -36.89 76.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.1 m-20 -77.23 -9.7 58.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.408 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.86 30.01 68.74 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -107.25 8.85 30.13 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.443 -1.034 . . . . 0.0 110.06 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.76 19.19 76.53 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -150.24 125.69 10.19 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.8 130.32 45.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.962 -1.086 . . . . 0.0 108.513 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.83 160.01 33.54 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.5 -0.75 . . . . 0.0 109.687 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 2.2 t80 -46.57 -39.77 11.63 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.217 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -68.11 -39.91 82.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 43.7 mt-10 -63.04 -42.23 99.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.872 -1.143 . . . . 0.0 110.344 -179.359 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -66.7 -36.27 82.11 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 109.118 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.3 mmm -59.95 -38.99 84.08 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.299 0.571 . . . . 0.0 110.596 -178.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.57 70.06 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.701 -1.249 . . . . 0.0 111.324 -178.352 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' B' ' 60' ' ' LEU . 42.1 t80 -69.91 -20.34 63.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.628 -1.295 . . . . 0.0 109.667 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.45 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.8 t -74.87 -36.9 40.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.313 -0.867 . . . . 0.0 109.113 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 74' ' ' MET . 4.2 m -62.14 -45.26 94.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.0 110.247 -179.386 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptm -70.54 -40.02 73.69 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 111.469 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 76' ' ' PHE . 74.2 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.748 -1.22 . . . . 0.0 109.414 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.91 -39.98 87.29 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.409 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.7 m -49.75 -34.34 18.81 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.08 87.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 108.599 178.195 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' B' ' 88' ' ' PHE . 64.3 m -59.99 -34.28 73.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.437 -0.79 . . . . 0.0 109.242 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.984 -1.072 . . . . 0.0 108.353 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.424 ' O ' ' OE1' ' B' ' 89' ' ' GLU . 86.6 tt0 -60.09 -40.09 88.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 108.926 178.668 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -86.11 -25.0 26.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -0.796 . . . . 0.0 109.738 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.4 t80 -93.63 63.27 3.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.164 -0.96 . . . . 0.0 108.586 179.762 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' B' ' 89' ' ' GLU . 1.5 mp0 -58.44 114.05 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.098 -1.001 . . . . 0.0 108.493 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -60.01 -40.05 87.89 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.4 -0.812 . . . . 0.0 . -179.67 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -60.1 -39.98 88.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 0.0 109.783 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.635 HD22 ' N ' ' X' ' 94' ' ' LEU . 3.4 mm? -77.7 153.25 33.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 0.0 109.153 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -99.19 121.25 40.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.25 -0.906 . . . . 0.0 109.76 -179.233 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -139.71 -13.99 1.09 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -105.93 127.91 53.45 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.253 -0.904 . . . . 0.0 109.873 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 98' ' ' LYS . . . . . 0.425 ' CD ' ' H ' ' X' ' 98' ' ' LYS . 0.0 OUTLIER -94.14 0.06 55.58 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.758 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' X' X ' 99' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' X' ' 100' ' ' GLN . . . 81.21 11.35 83.63 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 100' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' X' ' 99' ' ' GLY . 78.1 mt-30 53.19 171.52 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.537 -0.978 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 56.3 m -67.55 -24.97 65.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 41.7 m -50.3 -30.41 11.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 109.668 -179.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 19.2 t -60.01 -40.06 87.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.116 -0.99 . . . . 0.0 108.601 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.514 ' CD ' ' N ' ' X' ' 104' ' ' ARG . 0.5 OUTLIER -62.25 -40.38 95.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 109.285 179.673 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.51 ' O ' ' SD ' ' X' ' 109' ' ' MET . 86.2 t60 -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.487 -0.758 . . . . 0.0 109.521 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -59.96 -37.41 79.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.392 -0.818 . . . . 0.0 109.883 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -59.39 -39.95 85.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.495 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.889 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 19.2 tp -69.12 -38.67 79.01 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.186 -0.946 . . . . 0.0 110.032 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -49.2 -24.53 1.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 109.729 -179.304 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.563 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -42.24 -46.28 4.42 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.244 -0.91 . . . . 0.0 110.303 -179.077 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.889 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 0.6 OUTLIER -74.05 -34.43 64.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.018 -1.052 . . . . 0.0 109.93 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 42.0 p -60.86 -38.92 87.25 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.794 -1.191 . . . . 0.0 108.06 179.611 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.587 -0.696 . . . . 0.0 . 179.362 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.233 0.539 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.621 HD22 ' N ' ' Y' ' 94' ' ' LEU . 2.9 mm? -78.03 153.48 32.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.066 -1.021 . . . . 0.0 109.049 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -98.99 121.16 40.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.343 -0.848 . . . . 0.0 109.858 -179.16 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 39.1 m -139.71 -14.05 1.09 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.386 -0.822 . . . . 0.0 109.944 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -105.84 128.12 53.54 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 109.851 -179.564 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' Y' ' 98' ' ' LYS . 0.0 OUTLIER -94.42 0.04 55.14 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' Y' ' 100' ' ' GLN . . . 81.58 11.08 83.54 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.471 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' Y' ' 99' ' ' GLY . 77.3 mt-30 53.35 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.431 -1.04 . . . . 0.0 110.058 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -67.36 -25.02 65.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.336 -0.852 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 45.4 m -50.3 -30.5 12.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.642 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 20.1 t -59.97 -40.09 87.92 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.075 -1.015 . . . . 0.0 108.544 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' Y' ' 104' ' ' ARG . 0.5 OUTLIER -62.24 -40.34 95.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.276 179.654 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 86.2 t60 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.482 -0.761 . . . . 0.0 109.461 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -59.98 -37.27 79.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -59.69 -39.96 86.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.021 -1.049 . . . . 0.0 109.524 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.835 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 19.6 tp -69.15 -38.56 78.84 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -49.13 -24.53 1.69 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.941 -1.1 . . . . 0.0 109.734 -179.431 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -42.32 -45.88 4.39 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.28 -0.888 . . . . 0.0 110.387 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.835 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 0.6 OUTLIER -74.18 -35.41 63.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -60.01 -38.54 82.95 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.173 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 O-C-N 121.544 -0.723 . . . . 0.0 . 179.41 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.4 ' C ' ' H ' ' A' ' 2' ' ' GLU . 62.7 mtt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 61.14 7.19 1.51 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.309 -0.87 . . . . 0.0 109.015 -179.49 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.9 pt-20 -76.39 13.9 0.86 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 3' ' ' LEU . 2.9 tm? -59.78 -40.15 87.32 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.477 -0.765 . . . . 0.0 109.466 -178.577 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.94 -38.63 82.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.894 -1.129 . . . . 0.0 110.26 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.99 -36.22 75.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.072 -1.018 . . . . 0.0 109.862 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -39.98 84.32 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.495 -0.753 . . . . 0.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.8 mtt -68.97 -39.88 79.17 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 108.938 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.3 -37.18 79.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.022 -179.293 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.56 69.31 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.237 -0.914 . . . . 0.0 110.211 -178.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.643 HD12 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -59.82 -40.54 88.79 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.68 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.97 -40.01 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.741 -0.6 . . . . 0.0 110.961 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.01 -42.28 93.97 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.817 -1.177 . . . . 0.0 112.388 -177.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -39.04 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.679 -1.263 . . . . 0.0 110.381 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 68.8 t80 -57.89 -39.97 79.15 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.728 -1.232 . . . . 0.0 109.254 -179.06 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.95 -27.59 69.24 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.11 -0.994 . . . . 0.0 109.643 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -40.14 88.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.082 -1.012 . . . . 0.0 111.132 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -95.86 -31.02 13.35 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.809 -1.182 . . . . 0.0 112.348 -178.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.536 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 54.0 m -60.08 -40.02 88.11 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.458 -1.401 . . . . 0.0 109.898 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.24 0.18 80.83 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -59.95 -46.39 89.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.084 -1.245 . . . . 0.0 109.347 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -114.6 164.19 14.37 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.19 -16.19 1.31 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.22 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -80.73 64.52 5.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.617 -1.52 . . . . 0.0 109.495 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.0 -38.96 76.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.879 . . . . 0.0 110.624 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -77.62 -19.03 56.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.064 -1.023 . . . . 0.0 111.368 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -138.31 157.51 46.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.996 -1.065 . . . . 0.0 109.435 -179.607 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.82 122.66 48.3 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.54 -0.725 . . . . 0.0 109.097 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' SER . 37.8 pttt -98.11 155.65 17.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.722 -1.236 . . . . 0.0 109.519 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -43.9 -24.51 0.14 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 109.838 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LYS . 17.2 t -73.31 -51.5 17.32 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.491 -179.594 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 mt-10 -63.82 -36.78 85.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.0 -40.48 89.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.66 -0.65 . . . . 0.0 109.784 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.99 -40.01 91.82 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.173 -0.954 . . . . 0.0 110.207 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -66.71 -37.43 84.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.208 -0.932 . . . . 0.0 109.519 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.2 tt -66.16 -48.86 69.35 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.076 -1.015 . . . . 0.0 109.683 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -69.12 -45.34 79.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.12 -0.987 . . . . 0.0 111.052 -178.203 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -70.88 -41.07 71.83 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.08 . . . . 0.0 112.151 -177.643 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.06 -31.79 11.6 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 21.4 tt0 -79.34 -9.96 59.7 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.122 -1.611 . . . . 0.0 109.225 -178.079 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.35 52.18 0.85 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.633 -0.667 . . . . 0.0 109.263 179.782 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 43' ' ' PHE . 66.9 m -61.3 109.76 1.23 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.129 -0.982 . . . . 0.0 110.297 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 56.22 -11.73 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.71 -0.619 . . . . 0.0 111.631 179.423 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.3 t80 -69.88 -39.71 76.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.59 -1.319 . . . . 0.0 109.078 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.17 160.66 37.14 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' NE ' ' X' ' 104' ' ' ARG . 85.9 tt0 -58.49 112.72 1.69 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.883 -1.136 . . . . 0.0 109.248 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.37 164.12 11.9 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.868 0.842 . . . . 0.0 110.064 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.49 135.97 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.387 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -107.46 -25.02 11.59 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.281 -0.887 . . . . 0.0 109.614 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -123.77 143.66 50.17 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.402 -0.811 . . . . 0.0 110.276 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.622 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.11 -18.23 63.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.867 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.7 pt-20 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 109.569 -179.781 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.9 t -60.02 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.759 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.49 -40.06 87.62 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.186 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.98 -39.6 95.23 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.242 -0.911 . . . . 0.0 109.908 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -64.89 -39.99 94.41 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.7 -31.22 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 84.0 mmm -70.0 -30.34 67.64 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.871 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.92 -40.03 87.47 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.439 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -77.09 -42.65 37.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.862 -0.524 . . . . 0.0 111.468 178.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.52 -22.0 30.34 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.949 -1.094 . . . . 0.0 109.884 -178.315 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.5 t0 -81.73 63.34 5.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.875 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.6 -39.05 79.33 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -78.61 -11.3 59.96 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.464 -0.772 . . . . 0.0 109.21 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.8 42.72 92.87 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.09 -0.87 26.26 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.241 -1.152 . . . . 0.0 110.051 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.98 1.13 87.17 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -146.16 149.88 34.83 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.51 51.66 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -75.21 167.96 20.9 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 p90 -57.52 -38.12 74.16 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 117.966 -1.493 . . . . 0.0 109.056 -178.481 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -61.65 -40.03 93.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 109.938 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.31 -40.25 95.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.471 -1.393 . . . . 0.0 108.857 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 77' ' ' VAL . 50.8 t80 -64.9 -33.69 76.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.535 -0.728 . . . . 0.0 109.694 179.601 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.643 ' SD ' HD12 ' A' ' 10' ' ' LEU . 87.2 mmm -60.09 -37.48 80.07 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.313 0.578 . . . . 0.0 110.35 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.53 75.1 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.262 -178.508 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 80' ' ' VAL . 65.7 t80 -70.02 -34.05 72.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 0.0 110.72 -179.2 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -60.9 -39.92 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 O-C-N 121.256 -0.902 . . . . 0.0 109.275 -179.931 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -64.28 -39.96 95.0 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.552 -0.718 . . . . 0.0 110.055 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.57 -41.65 75.56 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.603 -178.358 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 76' ' ' PHE . 38.9 t -65.94 -37.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 120.657 -1.277 . . . . 0.0 108.653 -179.294 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -60.05 -39.94 87.72 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.458 HG23 ' CZ ' ' B' ' 70' ' ' PHE . 26.1 m -55.34 -38.77 69.2 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.721 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -62.32 -38.78 90.73 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.528 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.0 m -60.02 -37.6 80.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.265 -0.897 . . . . 0.0 109.904 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -58.6 -38.74 78.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.912 -1.117 . . . . 0.0 108.129 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.93 -38.3 81.98 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -83.56 -39.0 20.94 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -94.08 74.09 4.07 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -80.79 102.6 10.08 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -69.98 -10.15 57.61 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.357 -0.84 . . . . 0.0 . -179.794 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.404 ' C ' ' H ' ' B' ' 2' ' ' GLU . 65.1 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.432 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.8 m 60.96 7.14 1.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 108.916 -179.464 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 0' ' ' MET . 19.1 pt-20 -76.25 14.0 0.82 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 3' ' ' LEU . 2.9 tm? -59.92 -39.99 87.33 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.421 -0.8 . . . . 0.0 109.351 -178.422 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.1 -38.69 83.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.853 -1.154 . . . . 0.0 110.223 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.8 -36.36 75.61 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.875 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -39.93 84.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.55 -0.719 . . . . 0.0 111.497 -178.156 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 mtt -68.99 -39.94 79.05 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 108.959 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.3 -36.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.17 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.38 -34.03 67.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.99 . . . . 0.0 110.146 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.608 HD12 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -59.95 -40.57 89.42 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.692 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -70.0 -40.04 78.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.75 -0.594 . . . . 0.0 110.892 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.17 -42.11 94.28 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.147 . . . . 0.0 112.279 -177.394 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -38.97 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.75 -1.219 . . . . 0.0 110.355 -178.688 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 72.2 t80 -58.03 -39.91 79.55 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.732 -1.23 . . . . 0.0 109.276 -179.164 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.81 -27.95 69.53 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.17 -0.956 . . . . 0.0 109.598 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.07 -40.08 88.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.028 -1.045 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -95.61 -31.12 13.43 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.701 -1.249 . . . . 0.0 112.391 -178.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.551 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 54.1 m -59.99 -40.08 87.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.393 -1.442 . . . . 0.0 109.897 -179.018 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.79 0.02 79.23 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -60.03 -46.19 90.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.066 -1.255 . . . . 0.0 109.468 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -114.96 164.02 14.74 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.83 -16.27 1.14 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.221 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.78 64.68 5.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.632 -1.51 . . . . 0.0 109.533 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -69.93 -39.48 76.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.826 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -77.49 -18.89 56.68 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.142 -0.974 . . . . 0.0 111.392 -177.759 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -138.55 157.63 45.79 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.952 -1.093 . . . . 0.0 109.449 -179.736 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.88 122.75 48.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.581 -0.699 . . . . 0.0 109.16 -178.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.5 pttt -98.11 155.67 17.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.786 -1.196 . . . . 0.0 109.597 179.809 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.87 -24.51 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.503 -0.748 . . . . 0.0 109.873 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 28' ' ' LYS . 21.9 t -73.63 -51.18 17.66 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.447 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 50.2 mt-10 -63.94 -37.03 85.91 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.115 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.72 -40.58 88.5 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.715 -0.616 . . . . 0.0 109.718 -179.604 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.8 -40.05 91.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.71 -37.58 84.99 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.118 -0.988 . . . . 0.0 109.482 -178.492 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.689 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.6 tt -65.69 -49.32 68.95 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.221 -0.924 . . . . 0.0 109.606 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.13 -45.56 79.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 121.171 -0.956 . . . . 0.0 111.051 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -70.62 -40.89 72.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -99.08 -31.97 11.5 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 21.2 tt0 -79.36 -9.96 59.71 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.15 -1.594 . . . . 0.0 109.249 -178.068 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -114.26 52.33 0.84 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.564 ' C ' ' H ' ' B' ' 43' ' ' PHE . 75.1 m -61.27 109.21 1.07 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.185 -0.947 . . . . 0.0 110.292 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 56.15 -11.34 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.715 -0.616 . . . . 0.0 111.588 179.484 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.564 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.5 t80 -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.536 -1.352 . . . . 0.0 109.013 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -133.91 160.77 36.68 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.516 ' OE2' ' NE ' ' Y' ' 104' ' ' ARG . 84.1 tt0 -58.67 112.58 1.67 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.879 -1.138 . . . . 0.0 109.395 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.1 163.87 11.7 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.859 0.838 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -96.24 136.23 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -108.1 -24.58 11.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.258 -0.901 . . . . 0.0 109.585 -179.354 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -123.77 143.43 50.31 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.457 -0.777 . . . . 0.0 110.266 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.625 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.15 -17.99 63.89 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.832 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.5 pt-20 -60.93 -39.95 91.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.176 -0.952 . . . . 0.0 109.517 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 98.4 t -59.98 -40.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.57 -40.01 87.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.201 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.74 -39.85 95.38 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.705 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.83 -40.06 94.57 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.9 t -66.34 -31.56 54.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 61' ' ' ASP . 84.2 mmm -70.0 -30.35 67.65 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.81 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -39.73 86.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 178.37 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -77.27 -42.77 35.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.752 -0.592 . . . . 0.0 111.306 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.28 -21.89 30.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.914 -1.116 . . . . 0.0 110.075 -178.324 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.8 t0 -81.87 63.29 6.05 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -58.55 -39.09 79.25 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.809 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.81 -11.08 59.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.433 -0.792 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.85 42.65 92.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -104.9 -0.96 26.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.2 -1.176 . . . . 0.0 110.121 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.01 1.11 87.22 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 -178.31 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -146.07 149.96 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.43 51.77 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.4 t0 -75.55 166.79 23.03 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.1 p90 -56.01 -38.78 70.96 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.947 -1.501 . . . . 0.0 109.32 -178.512 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.702 -1.249 . . . . 0.0 110.014 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.6 -40.01 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.372 -1.455 . . . . 0.0 108.812 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.445 ' O ' HG23 ' B' ' 77' ' ' VAL . 49.5 t80 -64.88 -33.95 77.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.6 -0.688 . . . . 0.0 109.515 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.608 ' SD ' HD12 ' B' ' 10' ' ' LEU . 87.3 mmm -59.85 -38.03 80.96 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.42 0.628 . . . . 0.0 110.514 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.46 75.4 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.288 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.527 ' CE2' HG21 ' B' ' 80' ' ' VAL . 67.3 t80 -70.0 -34.33 73.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 110.585 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -60.33 -39.98 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.93 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -64.33 -40.0 95.02 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.558 -0.714 . . . . 0.0 110.159 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -69.53 -41.84 75.45 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.356 -178.151 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.527 HG21 ' CE2' ' B' ' 76' ' ' PHE . 37.3 t -65.75 -37.71 80.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 120.68 -1.262 . . . . 0.0 108.66 -179.225 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 64.9 m -60.0 -39.75 86.86 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.439 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 23.5 m -55.73 -38.77 70.2 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.687 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -61.77 -39.17 90.71 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.474 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.17 -37.46 80.23 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.383 -0.823 . . . . 0.0 109.987 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -58.63 -38.8 78.86 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.929 -1.107 . . . . 0.0 108.052 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.01 -37.93 81.16 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.024 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.58 -39.34 20.48 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -93.97 74.23 4.14 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.239 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.78 102.75 10.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -70.04 -10.19 57.85 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.383 -0.823 . . . . 0.0 . -179.857 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -83.8 170.21 14.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 109.711 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 59.3 tp -93.29 137.94 32.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.279 -0.888 . . . . 0.0 108.83 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -117.08 132.39 56.69 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.48 -0.763 . . . . 0.0 110.527 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 71.6 m -132.31 144.07 50.31 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -94.51 76.85 3.83 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.95 -1.094 . . . . 0.0 109.701 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -70.0 -30.9 68.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -0.813 . . . . 0.0 109.695 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.25 43.44 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -84.93 149.67 25.48 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.199 -1.177 . . . . 0.0 109.392 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -65.26 -25.24 67.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 0.0 109.682 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.557 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 9.2 t -50.04 -28.03 6.43 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 108.888 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -48.47 -24.83 1.4 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.211 -0.93 . . . . 0.0 108.909 179.13 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.545 ' NE ' ' OE2' ' A' ' 45' ' ' GLU . 5.2 ptm180 -54.54 -35.51 63.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.32 -0.862 . . . . 0.0 109.425 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 7.4 p-80 -59.8 -39.21 84.19 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.947 -1.096 . . . . 0.0 108.225 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 46.2 tptt -59.7 -30.6 68.91 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 61.5 tttm -58.28 -40.13 81.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.0 -179.139 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.41 -24.39 39.69 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.39 -0.819 . . . . 0.0 109.926 178.52 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -57.91 -24.83 59.48 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.648 -1.282 . . . . 0.0 110.55 -178.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -53.77 -28.18 33.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.13 -1.606 . . . . 0.0 108.792 -179.505 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 2.0 mmpt? -69.94 -39.98 75.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.861 -1.15 . . . . 0.0 108.437 176.294 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 80.7 p -60.13 -36.04 76.62 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.138 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.81 . . . . 0.0 . 179.759 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -84.0 170.43 13.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.426 -0.796 . . . . 0.0 109.524 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.8 tp -93.64 137.76 32.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.312 -0.867 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -116.95 132.45 56.7 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.535 -0.728 . . . . 0.0 110.577 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 73.1 m -132.3 144.32 50.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -94.75 76.68 3.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.007 -1.058 . . . . 0.0 109.793 -179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -70.01 -30.6 67.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.399 -0.813 . . . . 0.0 109.646 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.04 173.31 43.36 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -85.04 149.55 25.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.199 -1.177 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 89.2 p -65.11 -24.98 67.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.564 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 7.9 t -50.03 -28.13 6.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 108.875 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 29.4 t -48.49 -24.81 1.41 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 108.953 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.516 ' NE ' ' OE2' ' B' ' 45' ' ' GLU . 5.2 ptm180 -54.53 -35.4 63.15 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 0.0 109.473 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.608 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.4 p-80 -59.97 -38.99 84.11 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.608 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.1 tptt -59.86 -30.84 69.25 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.616 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.4 tttm -58.03 -40.25 80.37 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.06 -1.025 . . . . 0.0 109.061 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.49 -24.65 39.3 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.415 -0.803 . . . . 0.0 109.973 178.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 34.0 mmt -57.75 -24.67 58.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.683 -1.261 . . . . 0.0 110.363 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.474 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -53.98 -28.01 35.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.021 -1.674 . . . . 0.0 108.618 -179.445 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.474 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 2.3 mmpt? -69.99 -39.95 75.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.911 -1.118 . . . . 0.0 108.52 176.238 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -60.01 -35.76 75.76 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.196 -179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 . 179.868 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.82 27.81 17.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.31 -0.869 . . . . 0.0 109.563 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLU . 45.5 mt-10 -74.7 -10.0 59.1 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.519 -0.738 . . . . 0.0 109.106 179.387 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -42.91 -24.66 0.07 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.501 -0.75 . . . . 0.0 110.523 -178.669 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' GLU . 18.6 pt-20 -72.03 -36.25 69.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.804 -1.185 . . . . 0.0 109.948 179.332 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -82.81 -30.75 28.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.982 -1.074 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.02 -40.04 72.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.076 . . . . 0.0 110.181 -179.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -66.87 -40.03 87.7 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.09 -38.65 83.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.156 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.91 75.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.182 -0.948 . . . . 0.0 110.679 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD21 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.55 -39.99 81.79 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.234 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.88 -39.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.854 -0.529 . . . . 0.0 110.999 179.357 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.02 -46.16 90.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.759 -1.213 . . . . 0.0 111.946 -177.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -40.01 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.917 . . . . 0.0 111.301 -177.078 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.06 -39.94 87.75 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.295 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -65.14 -27.94 69.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.316 -179.567 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.05 -40.5 89.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.704 -1.247 . . . . 0.0 110.236 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.476 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 49.1 m-85 -92.01 -29.92 16.35 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.863 -1.148 . . . . 0.0 111.719 -179.264 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 p -60.06 -39.59 86.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.071 -1.018 . . . . 0.0 109.821 -179.023 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.98 -6.23 89.61 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 20' ' ' ARG . 32.4 ttt-85 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.087 -1.243 . . . . 0.0 109.726 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -91.75 -2.04 57.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.038 -1.039 . . . . 0.0 109.033 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.0 -9.99 75.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 26' ' ' LYS . 52.1 m-20 -83.16 69.1 9.83 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.148 -1.207 . . . . 0.0 108.563 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.82 -39.99 94.47 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -179.397 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -77.62 -24.27 49.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.127 -0.983 . . . . 0.0 111.812 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -139.19 157.72 45.43 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.812 -1.18 . . . . 0.0 109.435 -179.503 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.3 131.56 53.7 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.371 -0.831 . . . . 0.0 109.794 -178.287 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' SER . 65.2 tttm -100.47 146.46 27.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.028 -1.045 . . . . 0.0 109.618 -179.659 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -44.19 -23.92 0.13 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.427 -0.796 . . . . 0.0 109.698 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.8 m -74.57 -50.36 18.28 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.682 -0.807 . . . . 0.0 109.114 -179.628 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 55.8 tt0 -64.58 -36.14 83.28 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.03 -40.4 89.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.755 -0.591 . . . . 0.0 109.648 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.302 -0.874 . . . . 0.0 110.008 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -61.29 -39.96 92.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.895 -1.128 . . . . 0.0 108.743 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.02 74.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.854 -1.154 . . . . 0.0 109.861 178.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.94 -43.49 79.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.498 -0.751 . . . . 0.0 112.677 -177.248 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.949 ' ND2' ' H ' ' A' ' 47' ' ' ILE . 9.4 m120 -76.83 -35.06 57.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.61 -1.306 . . . . 0.0 112.328 -177.864 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -98.8 -30.47 12.4 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.268 -0.895 . . . . 0.0 113.014 -177.45 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.63 -10.51 58.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.099 -1.625 . . . . 0.0 109.114 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.3 mt -132.78 58.54 1.76 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.3 m -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 110.044 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -138.02 -11.46 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.267 -0.896 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -70.02 -28.09 65.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.926 -1.109 . . . . 0.0 109.091 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tp -142.21 171.59 13.84 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.283 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 14.9 pt-20 -70.65 117.76 12.59 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.689 -1.204 . . . . 0.0 109.801 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.68 156.82 25.75 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.949 ' H ' ' ND2' ' A' ' 37' ' ' ASN . 58.8 mt -101.91 127.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 O-C-N 120.957 -1.09 . . . . 0.0 108.552 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.46 -20.02 16.65 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.583 -0.698 . . . . 0.0 111.248 -176.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 78.6 tt0 -128.51 136.4 50.75 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.117 -0.99 . . . . 0.0 110.088 -178.308 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.04 -25.34 65.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.578 -0.701 . . . . 0.0 110.074 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.0 -38.57 82.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.179 -0.951 . . . . 0.0 110.263 -179.114 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.05 -39.98 81.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.57 -36.81 77.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.4 -38.28 90.48 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.753 0.787 . . . . 0.0 109.969 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.25 -28.43 43.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.8 -35.45 77.03 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.359 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.61 -38.64 67.03 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 m -80.03 -49.54 11.65 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.143 -179.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 15.5 mt -89.65 -14.47 34.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.81 -1.181 . . . . 0.0 110.961 -177.719 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' MET . 38.1 t0 -81.85 60.95 4.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.021 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 86.6 mt-10 -59.64 -40.01 86.24 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.03 -19.49 63.3 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.21 80.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 23.6 p-10 -107.86 11.56 27.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.514 -0.992 . . . . 0.0 109.915 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 2.25 87.99 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 17.4 pt-20 -145.08 133.71 22.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.558 -0.966 . . . . 0.0 108.659 179.523 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 141.22 33.71 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' PHE . 86.6 m-20 -78.46 160.55 27.65 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 10.4 t80 -46.61 -35.75 6.23 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.306 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -59.99 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.545 -0.722 . . . . 0.0 110.861 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 35.7 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 110.718 -177.829 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.4 t80 -69.93 -31.68 69.56 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.938 -1.101 . . . . 0.0 109.348 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.9 mmm -59.97 -38.07 81.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.663 -0.648 . . . . 0.0 109.795 -178.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.597 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.307 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.473 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -60.18 -36.31 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.81 -0.556 . . . . 0.0 110.266 -178.91 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -63.0 -39.98 96.4 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.476 -178.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtm -71.43 -45.78 61.82 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.142 -179.022 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.49 -37.95 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.553 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.6 m -59.94 -39.16 84.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.6 m -57.58 -39.4 76.68 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.415 -0.803 . . . . 0.0 108.869 178.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 -34.73 71.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 109.883 -179.225 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.418 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 11.9 t-80 -60.08 -39.93 87.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.032 -1.042 . . . . 0.0 108.537 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 0.0 109.616 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.11 -31.46 25.26 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.162 -0.961 . . . . 0.0 110.337 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -93.86 8.63 40.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.191 -0.943 . . . . 0.0 108.6 -179.602 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.94 98.59 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.595 0.712 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -59.95 -37.26 79.05 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.123 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 N--CA 1.493 1.723 0 O-C-N 121.871 -0.518 . . . . 0.0 . 179.683 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.63 28.03 17.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.342 -0.849 . . . . 0.0 109.608 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 4' ' ' GLU . 46.1 mt-10 -74.8 -10.01 59.1 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.55 -0.719 . . . . 0.0 109.11 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' B' ' 2' ' ' GLU . 10.2 tp -42.91 -24.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.552 -0.717 . . . . 0.0 110.525 -178.664 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 2' ' ' GLU . 18.4 pt-20 -71.97 -36.37 69.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.846 -1.159 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -82.65 -30.97 28.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.95 -1.094 . . . . 0.0 110.344 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.04 72.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.945 -1.097 . . . . 0.0 110.168 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -66.75 -40.0 88.12 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.22 -38.43 82.63 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.526 -0.734 . . . . 0.0 110.1 -179.42 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.17 75.44 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.625 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.421 HD21 HG11 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.141 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.91 -39.97 78.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.003 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.06 -46.15 90.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.88 -1.137 . . . . 0.0 111.932 -177.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -40.03 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 0.0 111.217 -177.085 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.02 -39.95 87.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.918 -1.114 . . . . 0.0 109.346 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.418 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 63.5 m-70 -65.24 -27.82 68.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.269 -0.895 . . . . 0.0 110.271 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.07 -40.45 89.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.803 -1.186 . . . . 0.0 110.324 -179.31 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 49.0 m-85 -91.9 -30.1 16.33 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.815 -1.178 . . . . 0.0 111.617 -179.323 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.476 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.3 p -60.06 -39.54 86.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.111 -0.993 . . . . 0.0 109.809 -178.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.15 -6.05 89.66 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' B' ' 20' ' ' ARG . 29.5 ttt-85 -60.04 -49.89 75.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.301 . . . . 0.0 109.713 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -91.64 -2.16 57.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.07 -1.019 . . . . 0.0 109.003 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.04 75.35 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' B' ' 26' ' ' LYS . 52.3 m-20 -83.21 69.14 9.87 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.189 -1.183 . . . . 0.0 108.526 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.9 -39.9 94.24 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.32 -0.862 . . . . 0.0 110.323 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.66 -24.2 49.45 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.172 -0.955 . . . . 0.0 111.763 -178.247 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.5 pttp -139.29 157.82 45.23 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.541 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.38 131.7 53.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.383 -0.823 . . . . 0.0 109.765 -178.272 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' SER . 63.0 tttm -100.58 146.53 27.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.98 -1.075 . . . . 0.0 109.595 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -44.18 -23.82 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.37 -0.831 . . . . 0.0 109.71 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 68.4 m -74.85 -50.02 18.52 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.16 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 56.1 tt0 -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.355 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.06 -40.36 89.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.707 -0.621 . . . . 0.0 109.69 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.299 -0.875 . . . . 0.0 110.019 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.5 OUTLIER -61.09 -40.03 92.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.934 -1.104 . . . . 0.0 108.767 179.858 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.04 74.25 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.877 -1.139 . . . . 0.0 109.908 178.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.05 -43.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 112.663 -177.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.941 ' ND2' ' H ' ' B' ' 47' ' ' ILE . 9.6 m120 -77.05 -35.01 57.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.59 -1.319 . . . . 0.0 112.324 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -98.67 -30.64 12.34 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.245 -0.91 . . . . 0.0 112.974 -177.461 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.41 -10.82 58.18 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.129 -1.607 . . . . 0.0 109.11 -178.671 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.59 58.67 1.75 Allowed 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -60.03 -40.05 88.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.986 -179.306 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -138.18 -11.13 1.47 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.234 -0.916 . . . . 0.0 110.189 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.04 -28.06 65.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 109.068 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.28 171.84 13.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.27 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 15.9 pt-20 -70.76 117.89 12.85 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.787 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.535 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 38.0 tt0 -63.82 156.67 26.68 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.836 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.941 ' H ' ' ND2' ' B' ' 37' ' ' ASN . 63.8 mt -101.54 128.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.959 -1.088 . . . . 0.0 108.529 179.337 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.91 -20.03 16.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.511 -0.743 . . . . 0.0 111.093 -176.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.1 tt0 -128.45 136.36 50.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.125 -178.298 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -59.99 -25.37 65.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.495 -0.753 . . . . 0.0 109.962 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 1.3 pp20? -59.95 -38.68 83.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.167 -0.958 . . . . 0.0 110.337 -179.063 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.33 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.15 -38.36 90.76 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.722 0.773 . . . . 0.0 109.979 -179.354 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.59 -38.99 77.53 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.41 -28.49 43.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.73 -35.43 77.13 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.373 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -54.53 -38.74 66.93 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.141 -1.599 . . . . 0.0 106.74 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.7 m -79.97 -49.46 11.81 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.149 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 16.5 mt -89.66 -14.43 34.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.831 -1.168 . . . . 0.0 111.003 -177.678 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.5 t0 -81.97 60.81 4.98 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 83.8 mt-10 -59.51 -40.05 85.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.01 -19.4 63.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.57 32.19 80.42 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 23.8 p-10 -107.9 11.5 27.95 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.997 . . . . 0.0 109.933 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 2.16 88.13 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.3 pt-20 -144.96 133.77 22.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.519 -0.989 . . . . 0.0 108.705 179.581 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 141.1 33.89 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' B' ' 70' ' ' PHE . 85.7 m-20 -78.36 160.34 27.86 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' B' ' 69' ' ' ASP . 10.2 t80 -46.42 -35.64 5.74 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.287 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.621 -0.675 . . . . 0.0 110.93 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 35.7 mt-10 -60.05 -40.01 87.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.74 -177.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.429 ' O ' HG23 ' B' ' 77' ' ' VAL . 61.1 t80 -69.9 -31.61 69.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.056 -1.027 . . . . 0.0 109.309 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.1 mmm -60.01 -38.09 81.62 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.705 -0.622 . . . . 0.0 109.731 -179.004 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.666 -178.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.104 -0.997 . . . . 0.0 110.379 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -60.29 -36.37 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.82 -0.55 . . . . 0.0 110.207 -178.81 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -62.98 -40.02 96.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.537 -178.776 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 mtm -71.23 -46.21 61.62 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.099 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.0 -38.07 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 118.984 -1.087 . . . . 0.0 109.641 -178.385 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -39.46 85.78 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -57.28 -39.54 75.9 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.94 87.76 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.3 m -58.73 -34.58 71.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.477 -0.764 . . . . 0.0 109.907 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.018 -1.051 . . . . 0.0 108.517 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.04 -39.94 94.04 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -84.27 -31.29 25.03 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.154 -0.966 . . . . 0.0 110.32 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -94.02 8.66 40.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.202 -0.936 . . . . 0.0 108.611 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.9 98.63 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.634 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -60.16 -37.04 78.94 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.911 -0.493 . . . . 0.0 . 179.628 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 45.06 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.369 -0.832 . . . . 0.0 109.499 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.13 37.97 0.99 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.006 -1.058 . . . . 0.0 109.604 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 52.39 45.39 28.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -60.83 99.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.963 -1.086 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 0.0 109.721 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.4 -40.04 92.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.437 -0.789 . . . . 0.0 109.828 -179.501 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.63 96.31 1.15 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -102.87 114.84 29.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.4 -1.059 . . . . 0.0 109.64 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' X' ' 103' ' ' SER . 60.4 p -72.21 -24.82 61.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.429 -0.794 . . . . 0.0 109.842 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.407 ' C ' ' O ' ' X' ' 101' ' ' SER . 5.9 t -42.25 -24.78 0.06 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.507 -0.745 . . . . 0.0 109.948 -179.563 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' X' ' 101' ' ' SER . 71.6 m -59.95 -36.78 77.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.499 -0.75 . . . . 0.0 109.467 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.526 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.1 OUTLIER -59.98 -39.45 85.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -0.922 . . . . 0.0 109.365 -179.346 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' X' ' 104' ' ' ARG . 63.4 t60 -59.99 -39.71 86.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.213 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -59.99 -31.26 69.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.147 -0.971 . . . . 0.0 109.401 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -59.34 -40.34 86.05 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.539 -1.351 . . . . 0.0 107.595 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.62 ' HG ' ' HZ1' ' X' ' 111' ' ' LYS . 5.1 tt -66.71 -37.06 83.94 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.444 ' O ' ' C ' ' X' ' 110' ' ' PHE . 13.5 mmt -46.46 -24.36 0.5 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.959 -1.088 . . . . 0.0 110.068 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.4 p90 -39.89 -49.44 2.42 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.396 -0.815 . . . . 0.0 109.823 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.62 ' HZ1' ' HG ' ' X' ' 108' ' ' LEU . 11.5 ptpt -73.87 -36.78 64.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 10.3 m -60.04 -40.02 87.91 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 C--N 1.304 -1.413 0 O-C-N 121.466 -0.771 . . . . 0.0 . 179.293 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 45.17 -166.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.421 -0.8 . . . . 0.0 109.452 -179.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 tp -91.9 37.83 0.98 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.0 -1.062 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 52.38 45.57 28.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.116 -0.99 . . . . 0.0 109.686 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 27.4 t -60.84 99.31 0.08 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.071 -1.018 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.23 -40.11 92.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.249 -0.907 . . . . 0.0 109.769 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.61 -39.96 93.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 0.0 109.881 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.45 96.3 1.13 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.9 115.15 30.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.306 -1.114 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.451 ' O ' ' N ' ' Y' ' 103' ' ' SER . 59.9 p -72.36 -24.86 61.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.837 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.407 ' C ' ' O ' ' Y' ' 101' ' ' SER . 6.1 t -42.26 -24.69 0.06 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.474 -0.766 . . . . 0.0 109.994 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.451 ' N ' ' O ' ' Y' ' 101' ' ' SER . 72.5 m -60.0 -36.71 77.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.514 -0.741 . . . . 0.0 109.494 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.538 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 0.1 OUTLIER -59.99 -39.52 86.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.387 -179.405 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' Y' ' 104' ' ' ARG . 66.9 t60 -59.95 -39.65 86.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.219 -0.926 . . . . 0.0 109.192 -179.379 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -60.01 -31.15 69.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -59.77 -40.15 87.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.504 -1.372 . . . . 0.0 107.611 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.594 ' HG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.0 tt -66.5 -37.38 84.93 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.634 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.45 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 13.9 mmt -46.2 -24.44 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.915 -1.116 . . . . 0.0 110.067 -179.646 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.4 p90 -39.91 -49.3 2.42 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -0.784 . . . . 0.0 109.941 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.594 ' HZ1' ' HG ' ' Y' ' 108' ' ' LEU . 11.5 ptpt -74.01 -36.73 64.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.272 -0.893 . . . . 0.0 109.827 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.418 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 10.9 m -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 . . . . . 0 C--N 1.304 -1.407 0 O-C-N 121.516 -0.74 . . . . 0.0 . 179.239 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.37 32.04 20.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.35 -0.844 . . . . 0.0 109.142 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.55 -1.89 7.7 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.845 0.831 . . . . 0.0 108.919 179.423 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.486 ' HB2' HG21 ' B' ' 13' ' ' VAL . 1.9 tm? -59.81 -35.24 74.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 -177.504 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.89 -40.1 87.58 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.499 -1.376 . . . . 0.0 111.506 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.44 -31.92 60.5 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.138 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.36 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.471 -0.768 . . . . 0.0 111.735 -177.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.5 mtt -69.64 -39.13 77.29 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.88 -1.138 . . . . 0.0 109.622 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.89 -33.31 55.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.679 -0.638 . . . . 0.0 109.754 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.78 75.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.513 -0.742 . . . . 0.0 111.262 -179.206 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.98 -40.26 88.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.468 -1.395 . . . . 0.0 108.398 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.0 -38.69 82.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 O-C-N 121.657 -0.652 . . . . 0.0 110.066 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.33 -45.88 91.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.818 -1.176 . . . . 0.0 110.99 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' B' ' 3' ' ' LEU . 2.1 t -63.01 -39.99 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.304 -0.872 . . . . 0.0 111.048 -178.71 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.447 ' O ' ' OG ' ' A' ' 18' ' ' SER . 74.4 t80 -55.78 -39.95 71.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.149 -0.969 . . . . 0.0 108.916 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -75.38 -21.5 58.24 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.177 -0.952 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -59.88 -40.5 88.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.526 -1.359 . . . . 0.0 110.993 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 16.3 p90 -119.07 -24.0 6.65 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.098 -1.001 . . . . 0.0 111.328 -179.179 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 53.0 p -67.55 -38.09 83.64 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.616 -1.303 . . . . 0.0 109.461 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.1 -8.89 85.45 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.633 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -60.37 -42.62 96.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -1.09 . . . . 0.0 109.687 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.54 162.82 15.71 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.727 0.775 . . . . 0.0 109.916 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.75 -24.87 4.47 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 26' ' ' LYS . 85.7 m-20 -73.31 51.02 0.32 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.671 -1.487 . . . . 0.0 109.635 -179.486 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -71.31 -40.11 71.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.869 -1.144 . . . . 0.0 109.832 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -83.27 -11.59 57.6 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.666 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 23' ' ' ASP . 1.9 ptpm? -135.24 159.38 41.74 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 14' ' ' PHE . 7.8 tp -122.53 109.39 14.28 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.016 -1.053 . . . . 0.0 109.869 -178.386 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 30' ' ' SER . 39.6 pttt -89.74 149.73 22.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.778 -1.201 . . . . 0.0 109.046 179.181 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.0 ptpt -38.98 -24.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.121 0.486 . . . . 0.0 110.491 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.6 m -72.67 -45.24 59.91 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.644 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -68.09 -38.91 82.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.054 -1.029 . . . . 0.0 108.995 179.106 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.86 -39.95 86.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 108.915 179.132 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HD3' HG21 ' A' ' 53' ' ' VAL . 21.8 tptm -60.0 -39.7 86.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.415 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.96 -40.03 95.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.576 -0.702 . . . . 0.0 110.92 -178.136 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 17' ' ' TYR . 2.2 tt -67.56 -48.91 65.59 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 120.43 -1.419 . . . . 0.0 108.682 179.644 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -70.26 -43.15 78.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.326 -0.859 . . . . 0.0 111.689 -177.615 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.2 t-20 -77.9 -36.73 49.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.534 -1.354 . . . . 0.0 111.688 -178.258 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -98.69 -37.95 9.29 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.786 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.23 -19.07 24.58 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.223 -1.548 . . . . 0.0 110.733 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -114.34 51.76 0.87 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.235 -0.915 . . . . 0.0 109.627 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -72.29 -61.66 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.041 -1.037 . . . . 0.0 110.67 -179.433 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -8.76 39.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.877 -1.139 . . . . 0.0 109.91 -179.759 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -48.59 80.24 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.5 pp -159.46 175.62 13.08 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.487 -0.758 . . . . 0.0 109.68 179.562 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -52.85 99.03 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.73 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 pt-20 -63.67 164.28 10.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.4 mm -79.94 140.37 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 110.203 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.61 -16.78 14.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 109.988 -179.793 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.39 152.28 48.25 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.248 -0.908 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -70.76 -22.3 62.41 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -61.06 -39.98 91.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.422 -0.799 . . . . 0.0 110.54 -179.003 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.76 -39.85 83.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.633 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.467 HG21 ' HD3' ' A' ' 33' ' ' LYS . 46.4 t -63.76 -37.01 78.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.26 -39.93 94.51 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.046 0.927 . . . . 0.0 109.18 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.46 -39.79 92.42 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.39 -27.69 41.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.88 -32.28 70.54 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.363 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.84 -36.03 67.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -83.05 -48.87 10.13 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.198 -179.74 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.5 mt -89.08 -15.16 34.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.783 -1.198 . . . . 0.0 110.683 -177.667 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.5 t0 -80.09 63.93 4.76 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.271 -1.372 . . . . 0.0 107.5 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -59.52 -39.87 85.31 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.419 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.26 -20.09 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.746 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.01 76.05 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p-10 -109.99 14.12 23.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.259 -1.142 . . . . 0.0 110.31 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.4 17.55 76.25 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 -179.008 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 35.5 tt0 -152.01 138.93 19.0 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.668 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.33 141.62 47.38 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' PHE . 76.5 m-20 -74.97 160.32 30.71 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.338 -0.851 . . . . 0.0 109.0 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' B' ' 82' ' ' THR . 2.6 t80 -46.52 -36.39 6.69 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.176 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.858 -0.526 . . . . 0.0 110.692 178.39 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.13 -40.08 88.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 110.005 -178.32 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -61.38 -39.76 91.86 Favored 'General case' 0 C--N 1.296 -1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.305 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -60.11 -39.62 86.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.648 -0.657 . . . . 0.0 111.064 -178.124 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -65.88 -34.16 77.5 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.703 -1.248 . . . . 0.0 110.488 -178.445 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.34 -35.73 76.33 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.035 -1.041 . . . . 0.0 110.585 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -34.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 O-C-N 121.371 -0.831 . . . . 0.0 110.094 -178.403 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 9.3 p -66.92 -40.21 87.57 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.355 -0.84 . . . . 0.0 110.556 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.6 ptm -75.15 -40.08 59.91 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.464 -178.589 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 48.9 t -66.41 -36.67 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.557 -1.34 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -59.96 -40.11 87.89 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.444 HG23 ' CE2' ' B' ' 70' ' ' PHE . 11.6 m -55.53 -39.57 70.73 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.578 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -59.98 -35.98 76.16 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 4.8 t -60.01 -34.95 74.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -59.6 -40.19 86.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.866 -1.146 . . . . 0.0 108.506 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.69 -39.49 91.34 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.505 -0.747 . . . . 0.0 109.212 178.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -84.96 -24.18 28.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 111.035 -178.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 90' ' ' HIS . 55.5 t80 -60.74 -24.38 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.222 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -50.89 87.89 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.528 -0.733 . . . . 0.0 109.597 -179.379 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.558 ' N ' ' O ' ' A' ' 88' ' ' PHE . 56.6 p-80 -74.01 -20.03 60.45 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.506 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.567 -0.708 . . . . 0.0 . 179.851 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.46 31.75 20.39 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 109.144 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.58 -2.25 8.54 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.913 0.863 . . . . 0.0 108.974 179.401 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 13' ' ' VAL . 2.1 tm? -59.65 -35.07 73.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.826 -177.647 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -39.68 87.51 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.54 -1.35 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.34 -32.29 60.84 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.824 -1.173 . . . . 0.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.16 74.54 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.62 -177.766 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.1 mtt -69.31 -39.36 78.32 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.959 -1.088 . . . . 0.0 109.67 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.91 -33.38 55.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.562 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.84 75.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.476 -0.765 . . . . 0.0 111.401 -178.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.01 -40.5 89.47 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.627 -1.296 . . . . 0.0 108.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.72 -38.82 83.16 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 121.809 -0.557 . . . . 0.0 110.113 179.358 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.79 -45.28 95.01 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.806 -1.184 . . . . 0.0 110.909 -179.201 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.486 HG21 ' HB2' ' A' ' 3' ' ' LEU . 2.1 t -63.29 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.309 -0.869 . . . . 0.0 111.004 -178.642 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.442 ' O ' ' OG ' ' B' ' 18' ' ' SER . 69.6 t80 -55.96 -39.5 71.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.072 -1.017 . . . . 0.0 108.853 -179.606 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -75.48 -21.95 57.63 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.078 -1.014 . . . . 0.0 111.073 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.62 -40.63 88.2 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.544 -1.347 . . . . 0.0 111.026 -177.631 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.7 p90 -119.09 -23.59 6.78 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.121 -0.987 . . . . 0.0 111.362 -179.068 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -68.12 -37.22 80.86 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.574 -1.329 . . . . 0.0 109.529 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 -8.21 86.97 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -1.126 . . . . 0.0 109.548 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.34 163.24 15.09 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.685 0.755 . . . . 0.0 109.904 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.88 -25.42 5.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.4 m-20 -72.95 50.84 0.28 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.788 -1.419 . . . . 0.0 109.689 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -70.79 -40.07 72.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.882 -1.136 . . . . 0.0 109.622 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.118 -0.989 . . . . 0.0 111.533 -178.683 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' B' ' 23' ' ' ASP . 1.8 ptpm? -135.85 158.95 43.14 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' B' ' 14' ' ' PHE . 8.0 tp -122.08 109.18 14.24 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.974 -1.079 . . . . 0.0 109.821 -178.287 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.7 pttt -89.05 149.91 23.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.671 -1.268 . . . . 0.0 109.0 179.158 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.3 ptpt -39.19 -24.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.808 -0.558 . . . . 0.0 110.578 179.882 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 28' ' ' LYS . 65.8 m -72.66 -45.6 58.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.631 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.06 -38.85 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.066 . . . . 0.0 108.824 179.323 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.78 -39.97 86.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' B' ' 53' ' ' VAL . 21.3 tptm -60.05 -40.02 87.97 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.31 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.63 -40.0 95.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' B' ' 17' ' ' TYR . 2.3 tt -67.32 -49.14 65.35 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.313 -1.492 . . . . 0.0 108.769 179.506 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.06 -43.12 79.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.371 -0.83 . . . . 0.0 111.662 -177.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.9 t-20 -78.35 -36.3 46.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.47 -1.394 . . . . 0.0 111.748 -178.168 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -98.66 -38.31 9.17 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.833 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -90.15 -19.28 24.44 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.422 -1.424 . . . . 0.0 110.701 -177.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.2 mt -114.07 51.45 0.87 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.236 -0.915 . . . . 0.0 109.659 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.8 t -71.95 -61.56 1.74 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.069 -1.019 . . . . 0.0 110.942 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 -8.46 38.31 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.858 -1.151 . . . . 0.0 109.839 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -48.98 78.28 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 46' ' ' GLU . 1.7 pp -159.12 174.84 14.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.422 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.7 tp10 -52.78 99.55 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.587 -179.503 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 44' ' ' LEU . 15.2 pt-20 -64.04 164.58 10.34 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.463 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.6 mm -80.31 140.18 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.001 -1.062 . . . . 0.0 110.117 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -106.39 -17.2 14.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.536 -0.728 . . . . 0.0 109.803 -179.661 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -138.16 152.52 48.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -71.19 -21.91 62.09 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.01 -39.96 91.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.415 -0.803 . . . . 0.0 110.449 -179.191 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.91 -39.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.46 HG21 ' HD3' ' B' ' 33' ' ' LYS . 46.6 t -63.65 -36.8 77.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.559 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.51 -39.79 94.64 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 122.113 0.959 . . . . 0.0 109.163 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -65.42 -40.41 93.32 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.12 -27.82 41.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.085 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -70.07 -31.8 69.57 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.442 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.15 -36.4 68.23 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 178.287 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -82.41 -49.02 10.44 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.186 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 mt -88.95 -15.07 35.17 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.835 -1.166 . . . . 0.0 110.841 -177.779 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.9 t0 -79.94 63.38 4.45 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 118.241 -1.384 . . . . 0.0 107.583 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.38 -39.74 84.32 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.329 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -70.07 -20.15 63.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.99 29.99 76.12 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.578 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 30.8 p-10 -110.03 14.37 23.01 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.367 -1.078 . . . . 0.0 110.295 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.495 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.86 17.86 75.62 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -179.07 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.3 tt0 -151.95 139.25 19.37 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.808 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 141.9 47.03 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' B' ' 70' ' ' PHE . 76.6 m-20 -75.51 161.0 29.56 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.444 ' CE2' HG23 ' A' ' 82' ' ' THR . 2.5 t80 -46.61 -36.42 6.93 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.071 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.47 -49.19 78.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.695 -0.628 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.35 -39.76 88.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 110.202 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.61 -38.99 92.33 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.338 -0.851 . . . . 0.0 109.188 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.99 -39.6 86.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.673 -0.642 . . . . 0.0 111.101 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.11 -33.81 76.62 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.787 -1.195 . . . . 0.0 110.571 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -61.17 -35.04 76.06 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.88 -1.138 . . . . 0.0 110.516 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -68.72 -34.62 65.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 121.295 -0.878 . . . . 0.0 110.0 -178.65 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 5.6 p -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.865 . . . . 0.0 110.496 -178.745 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.7 ptm -75.12 -40.49 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.971 -1.081 . . . . 0.0 111.447 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.82 -37.28 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.495 -1.378 . . . . 0.0 109.251 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.9 m -59.9 -39.85 86.79 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.443 HG23 ' CE2' ' A' ' 70' ' ' PHE . 11.7 m -55.41 -40.0 70.91 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.496 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.57 75.1 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' B' ' 88' ' ' PHE . 4.7 t -60.16 -35.02 74.4 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.55 -40.08 86.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.939 -1.101 . . . . 0.0 108.505 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.69 -39.76 91.61 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.13 178.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -84.76 -24.25 28.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' B' ' 90' ' ' HIS . 55.3 t80 -60.89 -24.32 65.88 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.954 -1.091 . . . . 0.0 109.158 -179.544 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -50.82 88.1 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.585 -0.697 . . . . 0.0 109.45 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 88' ' ' PHE . 56.8 p-80 -74.08 -20.54 60.24 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.508 -0.745 . . . . 0.0 . 179.791 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.294 0.568 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -81.59 141.48 33.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.508 -0.745 . . . . 0.0 109.418 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.56 -3.56 58.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 52.87 83.35 0.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.468 -0.77 . . . . 0.0 109.679 178.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 66.4 m -60.06 -40.02 87.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.453 -179.613 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.25 138.61 52.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -154.83 164.57 38.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.55 163.29 36.15 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 100' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' X' ' 100' ' ' GLN . 26.9 mp0 -99.01 138.32 36.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.171 -1.194 . . . . 0.0 109.756 -179.696 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -57.71 -25.61 60.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 109.107 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.526 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 81.3 p -50.0 -26.95 4.77 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.494 -0.754 . . . . 0.0 108.995 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 83.6 p -54.44 -25.65 26.28 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.203 -0.935 . . . . 0.0 108.63 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.503 HH11 ' HZ1' ' A' ' 48' ' ' LYS . 99.4 mtt180 -60.07 -39.9 87.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.408 -0.807 . . . . 0.0 109.368 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.9 OUTLIER -57.9 -31.31 66.64 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.557 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 87.4 tttt -59.91 -32.64 70.95 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.664 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttm -59.5 -40.07 85.83 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.864 -1.147 . . . . 0.0 108.154 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.14 -26.32 64.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 109.878 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -61.98 -24.74 67.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.558 -1.339 . . . . 0.0 109.816 179.856 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.75 -31.22 10.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.548 -1.345 . . . . 0.0 109.257 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.93 -30.97 40.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.386 -0.821 . . . . 0.0 109.436 179.267 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 77.6 p -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.916 -1.115 . . . . 0.0 108.594 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.423 -0.798 . . . . 0.0 . 179.838 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.506 0.67 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -80.7 140.9 35.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.598 -0.689 . . . . 0.0 109.643 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 86.3 mt -87.89 -3.46 58.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 52.98 83.53 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.392 -0.818 . . . . 0.0 109.674 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 68.7 m -59.92 -40.1 87.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.649 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -118.11 137.81 52.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 109.672 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -154.27 164.3 38.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.364 -0.835 . . . . 0.0 109.083 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.21 163.22 38.79 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' Y' ' 100' ' ' GLN . 27.4 mp0 -98.6 138.51 35.69 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -1.182 . . . . 0.0 109.867 -179.331 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 29.2 m -57.54 -25.32 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.401 -0.812 . . . . 0.0 109.138 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 77.5 p -49.96 -26.97 4.72 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.125 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -54.5 -25.56 26.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.935 . . . . 0.0 108.525 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.93 -39.86 86.95 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.444 -0.785 . . . . 0.0 109.531 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.5 OUTLIER -58.1 -31.28 66.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.013 -1.054 . . . . 0.0 108.553 179.925 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 88.2 tttt -60.18 -32.65 71.27 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.769 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.2 tttm -59.67 -39.72 85.39 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.901 -1.125 . . . . 0.0 108.336 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.38 -26.05 64.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 0.0 109.56 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.19 -24.73 67.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.591 -1.318 . . . . 0.0 109.949 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.51 -31.51 10.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.561 -1.337 . . . . 0.0 109.266 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -79.68 -31.42 41.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.351 -0.843 . . . . 0.0 109.553 179.504 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 71.3 p -59.72 -33.63 71.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.977 -1.077 . . . . 0.0 108.72 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 . 179.675 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 t 58.49 16.7 4.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.252 -0.905 . . . . 0.0 110.524 179.754 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 5' ' ' LYS . 41.9 mt-10 -76.01 2.01 13.87 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 108.575 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.25 -28.72 0.34 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.965 -0.459 . . . . 0.0 110.638 -178.516 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -40.01 81.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 0.0 108.564 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -70.01 -38.76 76.03 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.915 -0.491 . . . . 0.0 110.182 -179.9 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.01 82.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 111.136 -178.041 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.7 mtt -66.04 -40.01 90.65 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.936 -1.103 . . . . 0.0 109.751 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.59 -38.84 83.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 109.644 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.91 85.28 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.558 -0.714 . . . . 0.0 111.798 -178.083 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.708 HD11 HD11 ' B' ' 10' ' ' LEU . 20.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.76 -1.212 . . . . 0.0 108.137 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.98 -40.05 86.29 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.19 -47.22 86.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.678 -1.264 . . . . 0.0 111.124 -178.834 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -39.97 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.03 -1.044 . . . . 0.0 109.381 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 7.3 t80 -59.71 -37.32 78.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.154 -0.966 . . . . 0.0 109.026 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.4 -33.33 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.267 -0.896 . . . . 0.0 111.251 -179.047 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.99 -40.38 88.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.496 -1.378 . . . . 0.0 110.56 -178.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.96 -22.57 17.87 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.955 -1.091 . . . . 0.0 112.148 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.9 p -60.01 -40.01 87.78 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 120.872 -1.143 . . . . 0.0 108.474 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.33 55.79 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -60.01 -47.76 84.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.827 -1.396 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -109.23 -24.22 11.22 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.252 -0.905 . . . . 0.0 109.769 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.41 -16.71 4.08 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.26 75.5 8.22 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.828 -1.395 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.93 -40.03 95.52 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.36 -0.837 . . . . 0.0 109.671 -179.218 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -80.8 -16.55 53.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.809 . . . . 0.0 111.32 -179.131 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -134.65 150.84 50.7 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.878 -1.139 . . . . 0.0 110.919 -179.11 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.97 130.44 56.53 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 35.9 mtmm -97.32 151.6 19.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.102 -0.999 . . . . 0.0 108.574 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.17 -23.0 0.73 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 28' ' ' LYS . 80.9 p -77.18 -49.94 14.05 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.279 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 28' ' ' LYS . 78.2 mt-10 -61.65 -36.26 80.28 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.455 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -37.53 80.08 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HZ3' ' HB2' ' A' ' 37' ' ' ASN . 22.3 tptp -59.91 -40.08 87.59 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.183 -0.948 . . . . 0.0 109.341 -179.781 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 30' ' ' SER . 5.0 mp0 -69.97 -40.07 75.58 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 110.51 -179.001 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.1 tm? -61.06 -49.02 79.05 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.568 -1.332 . . . . 0.0 108.701 179.166 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.76 -44.62 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.669 -0.645 . . . . 0.0 112.551 -178.116 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' HB2' ' HZ3' ' A' ' 33' ' ' LYS . 11.7 t30 -79.09 -29.92 43.58 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.583 -1.323 . . . . 0.0 113.808 -175.439 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -101.42 -38.36 8.05 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.076 -1.015 . . . . 0.0 113.229 -176.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' C ' HD22 ' A' ' 40' ' ' LEU . 3.1 tp10 -79.41 -12.51 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.608 -1.308 . . . . 0.0 109.68 -177.441 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 40' ' ' LEU . 2.4 mm? -100.96 50.8 0.86 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.185 -0.947 . . . . 0.0 108.963 179.4 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LEU . 19.0 m -41.53 -56.21 2.62 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.201 -0.937 . . . . 0.0 110.384 -178.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -142.82 1.07 1.28 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.946 -1.096 . . . . 0.0 110.048 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -69.99 -37.74 75.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.02 -1.05 . . . . 0.0 109.754 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.584 ' CB ' HD12 ' A' ' 40' ' ' LEU . 21.6 tp -138.14 155.05 49.11 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.437 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -61.6 115.88 4.3 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.562 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -61.04 165.63 4.09 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.839 0.828 . . . . 0.0 109.812 179.265 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mm -87.14 138.97 18.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 109.748 -178.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.37 148.15 52.16 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.399 -0.813 . . . . 0.0 110.392 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -69.47 -21.83 63.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.605 -0.685 . . . . 0.0 110.12 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.441 HG13 ' HD1' ' X' ' 105' ' ' HIS . 94.1 t -60.02 -39.62 80.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.177 -0.952 . . . . 0.0 108.642 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.18 -34.26 68.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 110.172 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.21 -38.46 88.03 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 122.004 0.906 . . . . 0.0 109.462 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.23 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.624 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.23 -30.89 70.92 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.492 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.62 -39.98 86.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.145 -1.597 . . . . 0.0 106.744 178.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -81.26 -40.2 24.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.629 -0.669 . . . . 0.0 111.215 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' A' ' 76' ' ' PHE . 10.9 mt -88.48 -19.93 25.82 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.892 -1.13 . . . . 0.0 110.778 -178.211 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 46.8 t0 -82.08 60.62 4.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.712 -1.242 . . . . 0.0 107.779 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 79.7 mt-10 -59.96 -39.92 87.29 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.289 0.566 . . . . 0.0 109.573 -178.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 68.0 m-20 -76.16 -11.63 59.96 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.659 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.6 31.31 78.22 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 49.0 p-10 -106.33 3.01 27.09 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.215 -1.168 . . . . 0.0 109.431 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.571 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.65 6.39 88.3 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.3 mt-10 -138.21 129.24 27.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.712 -0.875 . . . . 0.0 109.052 -179.429 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.69 127.04 42.3 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' PHE . 89.8 m-20 -77.76 169.64 17.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.784 . . . . 0.0 110.875 -177.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 7.3 t80 -41.37 -42.36 2.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.68 -50.96 63.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.708 -0.62 . . . . 0.0 110.585 179.729 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 39.1 mt-10 -60.0 -42.04 93.39 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.349 -0.844 . . . . 0.0 111.278 -178.101 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.58 -36.76 83.41 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 109.303 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -39.92 87.98 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.499 0.666 . . . . 0.0 110.944 -178.044 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.98 69.94 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 120.897 -1.127 . . . . 0.0 111.436 -177.659 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.705 ' HB2' HD21 ' A' ' 60' ' ' LEU . 50.1 t80 -66.37 -36.54 83.12 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.967 -1.083 . . . . 0.0 110.074 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.38 -39.93 84.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.437 -0.789 . . . . 0.0 109.792 -179.664 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.455 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -66.16 -40.01 90.21 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.506 -179.077 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.8 mtp -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.541 -0.725 . . . . 0.0 111.188 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' A' ' 76' ' ' PHE . 94.7 t -69.54 -33.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.95 -1.094 . . . . 0.0 109.346 -179.852 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.0 m -59.9 -39.99 87.25 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -40.62 66.59 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.9 88.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.23 -0.919 . . . . 0.0 108.573 178.024 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.0 t -60.03 -31.38 69.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.026 . . . . 0.0 109.25 179.781 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CE1' ' CE2' ' B' ' 70' ' ' PHE . 86.1 t60 -60.02 -49.34 78.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 0.0 109.863 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -34.54 76.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.804 -1.185 . . . . 0.0 108.696 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -80.34 -21.38 42.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.539 -0.726 . . . . 0.0 109.732 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 44.4 t80 -81.16 -7.77 59.63 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.239 -0.913 . . . . 0.0 109.026 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 63.9 mm-40 -77.57 96.08 4.69 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.156 -0.965 . . . . 0.0 109.285 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.401 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 43.0 m80 -80.97 -7.75 59.61 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 89' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 . -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t 58.1 16.79 4.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.315 -0.865 . . . . 0.0 110.537 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 5' ' ' LYS . 41.9 mt-10 -75.9 1.62 14.64 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.715 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.15 -28.56 0.3 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.965 -0.46 . . . . 0.0 110.673 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -39.94 81.68 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.794 -1.191 . . . . 0.0 108.549 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.11 -38.79 75.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.9 -0.5 . . . . 0.0 110.279 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.95 83.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.252 -0.905 . . . . 0.0 111.207 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.31 -39.91 89.61 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.57 -39.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 O-C-N 121.66 -0.65 . . . . 0.0 109.666 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.0 85.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 0.0 111.857 -178.028 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.708 HD11 HD11 ' A' ' 10' ' ' LEU . 21.6 mt -60.05 -40.02 88.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.648 -1.283 . . . . 0.0 107.954 -179.236 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.98 -39.94 85.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.588 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 96.7 m-20 -60.17 -47.25 86.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.747 -1.221 . . . . 0.0 111.204 -178.852 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -40.03 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.965 -1.084 . . . . 0.0 109.394 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 7.4 t80 -59.53 -37.39 78.25 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.109 -0.995 . . . . 0.0 109.05 179.554 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.23 -33.48 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 111.27 -179.049 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.588 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 0.9 OUTLIER -60.04 -40.19 88.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.531 -1.355 . . . . 0.0 110.625 -178.917 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -95.03 -22.56 17.85 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.957 -1.089 . . . . 0.0 112.181 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.93 -40.04 87.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.521 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.34 13.11 56.69 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -60.05 -47.71 84.72 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.841 -1.388 . . . . 0.0 110.78 -178.54 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.13 -24.38 11.18 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.25 -0.906 . . . . 0.0 109.801 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 -16.96 4.01 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -81.05 75.42 8.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.358 . . . . 0.0 108.301 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.8 -40.03 95.67 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.424 -0.798 . . . . 0.0 109.655 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -80.99 -16.57 53.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.363 -0.836 . . . . 0.0 111.342 -179.127 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -134.7 150.57 50.63 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.857 -1.152 . . . . 0.0 110.861 -179.165 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.56 130.93 56.27 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' B' ' 31' ' ' GLU . 36.2 mtmm -97.59 151.89 19.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.091 -1.006 . . . . 0.0 108.515 179.276 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -48.39 -22.94 0.79 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' B' ' 28' ' ' LYS . 79.3 p -77.13 -50.02 13.94 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.234 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' B' ' 28' ' ' LYS . 82.9 mt-10 -61.51 -36.36 80.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.468 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.05 -37.57 80.23 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.453 ' HZ3' ' HB2' ' B' ' 37' ' ' ASN . 21.3 tptp -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.192 -0.943 . . . . 0.0 109.303 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE1' ' O ' ' B' ' 30' ' ' SER . 5.0 mp0 -70.05 -40.02 75.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 110.577 -179.172 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.712 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.86 -49.23 78.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.455 -1.403 . . . . 0.0 108.704 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.66 -44.41 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.677 -0.639 . . . . 0.0 112.643 -178.077 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.453 ' HB2' ' HZ3' ' B' ' 33' ' ' LYS . 11.3 t30 -79.08 -30.58 44.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.49 -1.381 . . . . 0.0 113.723 -175.371 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -101.17 -37.89 8.36 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 121.088 -1.008 . . . . 0.0 113.359 -176.727 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.507 ' C ' HD22 ' B' ' 40' ' ' LEU . 3.0 tp10 -79.6 -12.46 59.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.524 -1.36 . . . . 0.0 109.73 -177.629 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.638 HD22 ' N ' ' B' ' 40' ' ' LEU . 2.3 mm? -101.03 50.89 0.86 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.266 -0.896 . . . . 0.0 108.843 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' B' ' 40' ' ' LEU . 18.6 m -41.68 -56.29 2.68 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.258 -0.901 . . . . 0.0 110.232 -178.892 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -142.74 1.32 1.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.93 -1.106 . . . . 0.0 110.036 179.072 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -69.95 -38.04 76.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.031 -1.043 . . . . 0.0 109.701 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.557 ' CB ' HD12 ' B' ' 40' ' ' LEU . 21.1 tp -138.28 155.2 48.84 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -61.45 115.49 3.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.922 -1.111 . . . . 0.0 108.646 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -60.93 165.5 4.05 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.857 0.837 . . . . 0.0 109.699 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -87.09 138.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -106.86 -22.82 12.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 109.724 -179.009 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.29 148.25 52.1 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.394 -0.816 . . . . 0.0 110.433 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -69.38 -21.94 63.75 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.667 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.4 pt-20 -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.416 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 81.5 t -60.08 -39.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.03 -1.044 . . . . 0.0 108.519 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.84 -34.32 69.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 O-C-N 121.891 -0.506 . . . . 0.0 110.195 -179.402 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.32 -38.36 87.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.94 0.876 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -69.98 -39.16 76.11 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.19 -30.8 51.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.58 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.99 -30.92 71.17 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.514 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.56 -39.98 85.84 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.1 m -81.57 -39.94 23.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.55 -0.719 . . . . 0.0 111.234 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' B' ' 76' ' ' PHE . 10.8 mt -88.52 -20.24 25.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.884 -1.135 . . . . 0.0 110.815 -178.359 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.8 t0 -81.8 60.54 4.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 107.824 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.49 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 79.4 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.279 0.561 . . . . 0.0 109.5 -178.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 67.8 m-20 -75.83 -11.58 60.01 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.217 -0.927 . . . . 0.0 108.54 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.39 31.26 78.38 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 49.0 p-10 -106.22 3.15 27.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.204 -1.174 . . . . 0.0 109.366 -179.64 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.557 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.5 6.7 88.12 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -179.219 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.7 mt-10 -138.59 129.68 26.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.736 -0.861 . . . . 0.0 108.95 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.99 126.67 42.29 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.24 169.17 18.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.492 -0.755 . . . . 0.0 110.952 -178.065 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.558 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 7.5 t80 -41.05 -42.28 1.91 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.94 -50.61 63.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 39.1 mt-10 -60.44 -41.8 94.8 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.36 -0.838 . . . . 0.0 111.168 -177.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.92 -36.53 82.45 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.018 -1.051 . . . . 0.0 109.234 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.44 -39.71 88.49 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.5 0.666 . . . . 0.0 110.857 -178.05 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.09 70.28 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.917 -1.114 . . . . 0.0 111.45 -177.731 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.682 ' HB2' HD21 ' B' ' 60' ' ' LEU . 48.9 t80 -66.63 -36.17 81.93 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.933 -1.105 . . . . 0.0 110.079 -179.543 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.94 85.13 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 O-C-N 121.446 -0.784 . . . . 0.0 109.727 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.456 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -66.27 -39.97 89.8 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.111 -1.036 . . . . 0.0 109.521 -179.011 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 34.4 mtp -64.26 -40.95 97.05 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.532 -0.73 . . . . 0.0 111.251 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.453 HG21 ' CE2' ' B' ' 76' ' ' PHE . 97.0 t -69.52 -33.72 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 -179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.07 -39.96 87.86 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -40.34 65.79 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.02 89.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.187 -0.946 . . . . 0.0 108.496 177.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.8 t -59.96 -31.39 69.83 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.02 -1.05 . . . . 0.0 109.322 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.455 ' CE1' ' CE2' ' A' ' 70' ' ' PHE . 86.1 t60 -59.94 -49.54 77.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.977 -1.077 . . . . 0.0 109.884 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -34.66 76.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.724 -1.235 . . . . 0.0 108.717 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.3 -21.38 42.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.463 -0.773 . . . . 0.0 109.74 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 44.4 t80 -81.23 -7.57 59.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.276 -0.89 . . . . 0.0 109.071 -179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.43 ' O ' ' OE1' ' B' ' 91' ' ' GLU . 63.2 mm-40 -77.82 95.94 4.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.086 -1.008 . . . . 0.0 109.22 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -80.85 -8.03 59.6 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 89' ' ' GLU . 59.0 mp0 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.41 -0.806 . . . . 0.0 . -179.394 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.239 0.542 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' X' X ' 93' ' ' HIS . . . . . 0.699 ' CG ' ' H ' ' X' ' 94' ' ' LEU . 9.6 t-80 49.85 -143.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.699 ' H ' ' CG ' ' X' ' 93' ' ' HIS . 86.4 mt 49.39 -141.75 0.64 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.482 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -158.86 139.11 12.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.12 -0.988 . . . . 0.0 109.488 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -70.17 158.85 35.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.171 -0.956 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -143.02 150.02 39.05 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.274 -0.891 . . . . 0.0 109.485 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.69 -40.01 93.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 0.0 109.187 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.13 156.14 6.68 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.05 158.53 44.24 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.247 -1.149 . . . . 0.0 109.53 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 81.1 p -64.0 -25.0 67.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.369 -0.832 . . . . 0.0 109.632 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 90.0 m -50.05 -29.4 8.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -0.963 . . . . 0.0 108.956 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 44.1 t -59.95 -41.29 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.371 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER -60.66 -40.02 90.52 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.374 -0.829 . . . . 0.0 109.313 178.849 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.441 ' HD1' HG13 ' A' ' 52' ' ' VAL . 69.8 t60 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.179 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.56 -33.66 74.24 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.98 -43.21 95.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.314 -178.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.526 ' CD2' ' NZ ' ' X' ' 111' ' ' LYS . 2.9 tp -73.07 -29.19 62.77 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.103 -0.998 . . . . 0.0 109.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.537 ' O ' ' N ' ' X' ' 112' ' ' THR . 30.5 mmt -56.93 -24.23 51.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.992 -1.067 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 6.4 p90 -40.01 -46.99 2.2 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.201 -0.937 . . . . 0.0 109.624 -179.274 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.612 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 24.5 pttt -69.7 -32.9 71.76 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.186 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.537 ' N ' ' O ' ' X' ' 109' ' ' MET . 89.4 m -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.592 -0.692 . . . . 0.0 109.16 -178.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.359 -0.838 . . . . 0.0 . -179.826 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.253 0.549 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . 0.692 ' CG ' ' H ' ' Y' ' 94' ' ' LEU . 10.1 t-80 49.76 -143.39 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.0 109.397 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.692 ' H ' ' CG ' ' Y' ' 93' ' ' HIS . 85.9 mt 49.45 -141.96 0.63 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -158.85 139.13 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.2 -0.938 . . . . 0.0 109.513 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 95.9 p -70.1 158.98 34.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.185 -0.947 . . . . 0.0 109.585 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -143.33 149.93 38.47 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.29 -0.881 . . . . 0.0 109.545 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.33 -39.98 92.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.46 156.35 6.76 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -136.93 158.67 43.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.261 -1.14 . . . . 0.0 109.525 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -64.03 -24.88 67.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.39 -0.819 . . . . 0.0 109.619 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 87.3 m -50.23 -29.47 9.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.201 -0.937 . . . . 0.0 108.967 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -60.0 -41.02 91.21 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -60.6 -39.99 90.15 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.399 -0.813 . . . . 0.0 109.29 178.701 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 109.277 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.49 -34.03 74.79 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.51 -0.744 . . . . 0.0 109.042 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -59.96 -43.22 95.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 110.425 -178.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.527 ' CD2' ' NZ ' ' Y' ' 111' ' ' LYS . 3.3 tp -73.13 -29.02 62.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.046 -1.034 . . . . 0.0 109.26 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.529 ' O ' ' N ' ' Y' ' 112' ' ' THR . 30.4 mmt -57.12 -24.23 52.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.083 -1.011 . . . . 0.0 110.608 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 6.3 p90 -39.94 -47.21 2.18 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.155 -0.966 . . . . 0.0 109.652 -179.237 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 25.2 pttt -69.19 -34.01 74.25 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.529 ' N ' ' O ' ' Y' ' 109' ' ' MET . 84.9 m -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.653 -0.654 . . . . 0.0 109.381 -179.223 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.535 -0.728 . . . . 0.0 . -179.474 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.573 ' H ' HE22 ' B' ' 16' ' ' GLN . 1.4 m 60.0 32.78 21.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -75.93 23.4 0.13 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.153 -0.967 . . . . 0.0 109.406 179.607 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 1' ' ' SER . 56.1 tp -59.65 -26.81 65.82 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.916 -0.713 . . . . 0.0 109.083 -179.767 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.48 -39.98 92.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.171 -0.956 . . . . 0.0 108.988 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -68.3 -40.02 81.88 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.926 -0.484 . . . . 0.0 110.812 -178.644 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.04 74.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 111.353 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.36 -39.93 89.44 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.041 -1.037 . . . . 0.0 109.683 -179.18 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.17 -37.05 78.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.76 88.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.802 -0.561 . . . . 0.0 111.47 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CE ' ' A' ' 74' ' ' MET . 39.3 mt -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.667 -1.271 . . . . 0.0 108.238 -179.052 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.96 -37.3 72.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 121.793 -0.567 . . . . 0.0 110.477 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.11 -43.48 98.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.016 -1.053 . . . . 0.0 111.638 -178.342 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -39.89 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.04 -1.038 . . . . 0.0 109.094 -178.773 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.08 -39.29 69.13 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.98 74.11 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.424 -0.798 . . . . 0.0 110.542 -179.413 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.49 HE22 ' H ' ' B' ' 1' ' ' SER . 30.7 mt-30 -59.95 -40.0 87.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 111.421 -178.446 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.89 -24.96 17.52 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.791 -1.193 . . . . 0.0 112.207 -178.158 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 p -60.2 -40.08 88.82 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.761 -1.212 . . . . 0.0 109.314 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.2 9.1 67.88 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.93 -50.08 75.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.939 -1.33 . . . . 0.0 111.398 -178.347 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.19 13.47 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 -179.256 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 123.58 -20.66 7.32 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.555 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 21.2 m-20 -73.01 62.66 0.63 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.582 -1.54 . . . . 0.0 108.36 179.622 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' GLY . 34.3 ttpt -60.11 -38.14 82.09 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.137 -179.475 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.75 -22.02 54.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.186 -0.946 . . . . 0.0 111.377 -178.361 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -148.5 159.67 43.83 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.555 -1.34 . . . . 0.0 110.879 -178.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 mt -107.84 137.52 45.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.736 -0.602 . . . . 0.0 109.785 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 30' ' ' SER . 24.5 mtpp -97.64 154.12 17.77 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.5 ptpp? -49.43 -23.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.267 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 28' ' ' LYS . 95.0 p -76.3 -47.26 24.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.449 179.617 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 94.7 mt-10 -68.82 -35.69 77.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.356 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.7 tp -60.01 -40.27 88.65 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' NZ ' ' OD1' ' A' ' 37' ' ' ASN . 63.7 tttm -60.13 -40.09 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.351 -0.843 . . . . 0.0 109.925 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 78.1 mm-40 -60.95 -40.02 91.69 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.0 -179.391 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.29 -50.08 71.5 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.924 -1.11 . . . . 0.0 109.213 179.139 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 47' ' ' ILE . 95.7 mt -68.53 -45.93 81.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.497 -0.752 . . . . 0.0 111.976 -177.799 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 47' ' ' ILE . 1.9 m-80 -71.2 -40.02 71.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.85 -1.156 . . . . 0.0 111.773 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.418 ' ND2' ' OE1' ' A' ' 34' ' ' GLU . 24.5 m-20 -100.28 -32.95 10.61 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.181 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -79.99 -15.77 56.57 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 119.929 -1.732 . . . . 0.0 108.941 -178.198 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 44' ' ' LEU . 29.2 mt -116.18 61.06 0.72 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.078 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.2 p -50.11 -57.16 8.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.211 -0.931 . . . . 0.0 110.211 -179.009 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -139.65 0.83 1.86 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.148 -0.97 . . . . 0.0 109.765 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.07 -36.87 75.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.268 -0.895 . . . . 0.0 109.831 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 40' ' ' LEU . 6.1 tp -134.97 160.77 37.25 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.04 112.94 2.08 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.256 -0.977 . . . . 0.0 109.208 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.81 167.2 11.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.863 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 36' ' ' ILE . 48.6 mt -106.5 129.86 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.936 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -104.21 -22.25 13.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.381 -0.824 . . . . 0.0 110.121 -178.024 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -117.9 139.97 50.38 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.347 -0.846 . . . . 0.0 109.699 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.601 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -66.65 -19.93 65.88 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.299 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -60.39 -39.92 89.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 -179.788 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.08 -39.25 79.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.63 -37.42 79.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.354 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 50.3 t0 -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.145 0.974 . . . . 0.0 109.4 -179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.73 -39.97 84.21 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 122.084 0.945 . . . . 0.0 108.477 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.93 -27.46 37.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.34 -39.77 89.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.549 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -57.37 -39.92 77.03 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.234 -1.541 . . . . 0.0 107.759 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -76.96 -45.18 28.55 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.535 -0.728 . . . . 0.0 111.65 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -90.15 -16.09 30.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.724 -1.235 . . . . 0.0 110.956 -178.183 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.7 t0 -81.84 63.29 6.02 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 178.711 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -60.04 -40.01 87.91 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.085 -177.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -82.05 -6.62 59.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 0.0 109.2 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.02 37.6 95.21 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.49 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 36.5 p-10 -106.31 3.35 27.49 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.117 -1.225 . . . . 0.0 109.423 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 5.94 89.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 61.5 mt-10 -140.02 136.43 33.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.584 -0.95 . . . . 0.0 108.49 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.17 48.0 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.882 -1.136 . . . . 0.0 108.733 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.79 161.21 30.27 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.583 -0.698 . . . . 0.0 109.263 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.38 -34.4 47.71 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.088 -1.007 . . . . 0.0 108.423 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -70.03 -37.58 75.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.483 -0.76 . . . . 0.0 109.952 179.148 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.38 -43.39 86.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.445 -1.409 . . . . 0.0 109.084 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.06 -24.56 63.27 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.69 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.454 ' CE ' HD13 ' A' ' 10' ' ' LEU . 8.2 tpt -60.02 -39.09 84.65 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.99 -35.17 76.41 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.243 -0.91 . . . . 0.0 110.31 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -61.26 -39.96 92.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.911 . . . . 0.0 110.19 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.46 -38.42 80.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.614 -0.679 . . . . 0.0 110.033 -178.688 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -40.02 95.42 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.915 -1.114 . . . . 0.0 109.388 -179.177 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.4 mtp -68.85 -40.28 79.47 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.428 -0.795 . . . . 0.0 111.679 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG22 ' NZ ' ' X' ' 111' ' ' LYS . 61.2 t -66.85 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.974 -1.079 . . . . 0.0 109.92 -179.44 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.15 -39.89 87.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -37.5 50.68 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.497 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.99 85.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.9 t -60.05 -38.53 83.06 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.491 -0.755 . . . . 0.0 109.674 -179.77 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.97 -40.0 87.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 109.033 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.54 -37.07 80.02 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 108.885 179.036 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -89.02 -24.29 22.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.564 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.7 t80 -90.16 63.95 5.97 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.734 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -83.41 99.59 10.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.1 -1.0 . . . . 0.0 109.109 -179.778 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -70.02 -13.49 62.25 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.707 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 . 179.609 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.496 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.4 m 60.05 32.75 21.16 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.117 -0.99 . . . . 0.0 110.134 179.319 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -75.98 23.74 0.13 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 179.698 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 1' ' ' SER . 54.1 tp -59.93 -26.65 66.12 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.08 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.54 -40.02 92.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.13 -0.981 . . . . 0.0 108.944 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.29 -40.04 81.93 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.893 -0.505 . . . . 0.0 110.793 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.91 74.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.0 111.328 -178.374 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.43 -39.98 89.24 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.041 -1.037 . . . . 0.0 109.668 -179.233 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.02 -37.19 78.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.89 88.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.783 -0.573 . . . . 0.0 111.484 -178.577 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.46 HD13 ' CE ' ' B' ' 74' ' ' MET . 41.4 mt -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.72 -1.238 . . . . 0.0 108.22 -178.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.04 -37.4 72.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.796 -0.565 . . . . 0.0 110.432 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.07 -43.51 98.67 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.93 -1.106 . . . . 0.0 111.648 -178.309 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.63 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 109.166 -178.816 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.31 -39.42 69.91 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.88 73.96 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.371 -0.831 . . . . 0.0 110.476 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.573 HE22 ' H ' ' A' ' 1' ' ' SER . 74.8 mt-30 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.874 -1.141 . . . . 0.0 111.357 -178.433 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -93.86 -24.9 17.57 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.827 -1.171 . . . . 0.0 112.22 -178.127 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.29 -39.96 88.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.796 -1.19 . . . . 0.0 109.311 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.28 9.13 68.05 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.825 -1.397 . . . . 0.0 111.416 -178.292 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.23 13.46 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.336 -0.853 . . . . 0.0 110.123 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 123.69 -20.72 7.26 Favored Glycine 0 N--CA 1.502 3.048 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.592 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 26' ' ' LYS . 21.1 m-20 -72.96 62.56 0.61 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.516 -1.579 . . . . 0.0 108.371 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 22' ' ' GLY . 33.8 ttpt -60.07 -38.17 82.06 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.408 -0.807 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 -21.83 54.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.202 -0.936 . . . . 0.0 111.46 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.3 pttt -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.582 -1.324 . . . . 0.0 110.903 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.7 mt -107.87 137.5 45.77 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.801 -0.562 . . . . 0.0 109.82 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' B' ' 30' ' ' SER . 24.5 mtpp -97.6 154.15 17.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.831 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -49.45 -23.15 1.41 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 28' ' ' LYS . 87.3 p -76.36 -47.19 24.27 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 93.5 mt-10 -68.96 -35.67 77.03 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.361 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -40.31 88.84 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.15 -39.98 88.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 110.005 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 77.9 mm-40 -61.12 -40.02 92.19 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.905 . . . . 0.0 108.952 -179.32 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.12 -49.96 72.34 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.917 -1.114 . . . . 0.0 109.258 178.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' B' ' 47' ' ' ILE . 92.2 mt -68.83 -45.67 80.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 112.018 -177.717 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 47' ' ' ILE . 1.9 m-80 -71.31 -39.99 71.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.855 -1.153 . . . . 0.0 111.738 -178.563 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.417 ' ND2' ' OE1' ' B' ' 34' ' ' GLU . 23.9 m-20 -100.46 -32.96 10.55 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -176.138 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -80.01 -15.49 57.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 119.927 -1.733 . . . . 0.0 109.015 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' B' ' 44' ' ' LEU . 31.2 mt -116.23 60.83 0.72 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.046 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 98.4 p -50.04 -57.17 8.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.172 -178.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -139.67 0.74 1.85 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.182 -0.949 . . . . 0.0 109.743 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.93 -36.83 75.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.469 ' HB3' HD13 ' B' ' 40' ' ' LEU . 5.5 tp -135.14 160.57 37.95 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -59.89 113.04 2.09 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.157 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.85 167.18 11.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 109.895 179.279 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.43 ' CD1' HG21 ' B' ' 36' ' ' ILE . 47.2 mt -106.42 129.84 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -104.12 -22.28 13.44 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.456 -0.777 . . . . 0.0 110.225 -178.122 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.78 140.0 50.3 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.447 -0.783 . . . . 0.0 109.749 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.605 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -66.75 -19.96 65.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.301 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.6 OUTLIER -60.25 -40.04 88.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.829 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.04 -39.31 79.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.737 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.55 -37.39 79.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 50.3 t0 -61.75 -39.59 92.13 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 122.04 0.924 . . . . 0.0 109.335 -179.846 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.65 -39.99 84.57 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.09 -27.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.537 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.32 -39.75 89.5 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.463 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.36 -39.95 77.06 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 120.301 -1.499 . . . . 0.0 107.751 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -77.07 -44.88 29.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.497 -0.752 . . . . 0.0 111.721 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -90.33 -16.17 29.72 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.688 -1.257 . . . . 0.0 110.915 -178.267 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -81.79 63.26 5.97 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.722 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.94 -40.0 87.45 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.149 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -82.18 -6.55 59.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.2 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.47 95.0 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.987 -1.102 . . . . 0.0 110.533 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 36.6 p-10 -106.22 3.44 27.81 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -1.223 . . . . 0.0 109.419 179.812 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.03 5.81 89.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.7 mt-10 -139.98 136.41 33.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.969 . . . . 0.0 108.444 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.18 47.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.833 -1.167 . . . . 0.0 108.812 179.716 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 161.29 30.19 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.577 -0.702 . . . . 0.0 109.232 -179.276 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.48 -34.22 48.23 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.13 -0.981 . . . . 0.0 108.368 -179.325 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -70.08 -37.6 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.52 -0.737 . . . . 0.0 109.978 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 -43.46 85.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.479 -1.388 . . . . 0.0 109.036 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -70.0 -24.57 63.33 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.723 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.46 ' CE ' HD13 ' B' ' 10' ' ' LEU . 8.3 tpt -60.05 -39.05 84.62 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.895 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.16 76.4 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 110.331 -179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.18 -40.0 92.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.267 -0.896 . . . . 0.0 110.165 -179.512 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.418 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -61.51 -38.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.609 -0.682 . . . . 0.0 110.097 -178.684 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.408 -179.325 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.9 mtp -69.12 -40.05 78.55 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.491 -0.756 . . . . 0.0 111.671 -178.412 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.99 -39.01 82.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.934 -1.104 . . . . 0.0 109.882 -179.436 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.625 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -37.4 50.62 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -179.495 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.78 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.878 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.8 t -59.97 -38.79 83.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.89 -40.05 87.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.119 -0.988 . . . . 0.0 109.065 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 108.885 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.14 -24.25 22.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.522 -0.736 . . . . 0.0 109.55 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.7 t80 -90.27 64.06 5.92 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -83.46 99.42 10.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -69.98 -13.53 62.28 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.733 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.826 . . . . 0.0 . 179.634 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -96.3 2.49 52.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 109.691 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.38 149.72 47.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 109.464 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.4 121.02 32.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.376 -0.827 . . . . 0.0 109.606 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 46.7 t -150.26 156.56 41.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.258 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.48 156.37 48.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.389 -0.82 . . . . 0.0 109.036 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -158.9 160.01 35.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.612 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.58 173.68 33.72 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 179.266 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 100' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' X' ' 100' ' ' GLN . 4.1 mp0 -127.33 170.41 12.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.859 . . . . 0.0 109.02 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 70.0 m -50.01 -25.33 3.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.093 -1.005 . . . . 0.0 108.433 179.172 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 69.0 p -50.27 -25.32 3.6 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.268 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -53.55 -28.35 31.25 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 55.9 mtt-85 -60.04 -43.11 95.58 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.771 0.796 . . . . 0.0 109.091 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.379 -0.825 . . . . 0.0 108.89 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -59.49 -25.99 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.94 -40.05 87.63 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.626 HD21 ' HZ1' ' X' ' 111' ' ' LYS . 2.9 tp -65.38 -37.08 85.91 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.757 0.789 . . . . 0.0 109.437 178.712 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -51.2 -24.09 3.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.765 -1.209 . . . . 0.0 109.933 -179.366 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 5.7 p90 -39.77 -47.59 2.1 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.185 -0.947 . . . . 0.0 109.74 -178.402 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.626 ' HZ1' HD21 ' X' ' 108' ' ' LEU . 33.8 pttt -69.97 -33.01 71.53 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.237 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.532 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.4 m -60.03 -37.59 80.23 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.612 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 . 179.962 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -96.4 2.62 52.81 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.353 -0.842 . . . . 0.0 109.648 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.25 149.63 47.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.206 -0.934 . . . . 0.0 109.448 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.38 121.13 32.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 109.544 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.2 t -150.38 156.5 41.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.35 -0.844 . . . . 0.0 109.293 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 156.42 48.21 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.371 -0.83 . . . . 0.0 109.057 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -158.92 159.93 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.353 -0.842 . . . . 0.0 109.729 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.74 173.65 33.48 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.272 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . 0.441 ' CD ' ' N ' ' Y' ' 100' ' ' GLN . 4.1 mp0 -127.42 170.3 12.69 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.786 -0.832 . . . . 0.0 108.99 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m -50.02 -25.32 3.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 0.0 108.396 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 66.4 p -50.15 -25.34 3.46 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.202 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 79.0 p -53.53 -28.49 31.78 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' Y' ' 104' ' ' ARG . 60.2 mtt-85 -59.98 -42.96 95.33 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.435 -0.791 . . . . 0.0 109.15 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -60.18 -39.94 88.23 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.383 -0.823 . . . . 0.0 108.889 179.431 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -59.52 -25.93 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 178.662 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.626 HD21 ' NZ ' ' Y' ' 111' ' ' LYS . 2.7 tp -65.47 -36.82 85.03 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 121.85 0.833 . . . . 0.0 109.504 178.783 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -51.51 -23.93 4.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.702 -1.249 . . . . 0.0 109.909 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 5.8 p90 -39.87 -47.35 2.15 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.217 -0.927 . . . . 0.0 109.767 -178.484 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.626 ' NZ ' HD21 ' Y' ' 108' ' ' LEU . 32.0 pttt -70.08 -33.2 71.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.53 ' N ' ' O ' ' Y' ' 109' ' ' MET . 49.1 m -60.06 -36.95 78.45 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.578 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.48 -0.763 . . . . 0.0 . 179.907 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.3 t 57.86 29.13 17.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.303 -0.873 . . . . 0.0 109.675 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 2' ' ' GLU . 11.2 pt-20 -76.13 12.19 1.24 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.421 -0.799 . . . . 0.0 108.889 179.276 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -60.03 -33.68 72.34 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.592 -0.693 . . . . 0.0 110.498 -178.415 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.11 -40.04 88.29 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.76 -1.212 . . . . 0.0 110.562 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -68.01 -39.63 83.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.975 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.05 89.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 0.0 111.172 -178.783 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.6 mtt -65.02 -39.95 94.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.84 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 121.377 0.608 . . . . 0.0 110.334 -179.061 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -40.04 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.418 -0.801 . . . . 0.0 111.682 -177.714 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.918 -1.114 . . . . 0.0 108.398 -178.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.56 -39.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.697 -0.627 . . . . 0.0 110.375 179.228 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.706 -1.246 . . . . 0.0 111.259 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -34.45 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.019 -1.051 . . . . 0.0 110.26 -179.154 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' A' ' 18' ' ' SER . 87.4 t80 -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.484 -1.385 . . . . 0.0 107.997 -179.548 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -77.99 -22.1 49.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 179.193 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -53.09 -45.88 68.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 110.5 -178.148 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 27' ' ' LEU . 16.5 p90 -116.19 -25.15 7.69 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.598 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 24.1 m -62.68 -47.12 85.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.649 -1.282 . . . . 0.0 110.844 -178.85 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.16 18.58 3.3 Favored Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.052 -1.071 . . . . 0.0 110.922 -178.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -60.11 -42.62 95.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.81 -1.406 . . . . 0.0 110.638 -179.451 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -112.56 -38.75 4.54 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.185 -0.947 . . . . 0.0 109.607 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 156.17 -6.55 0.23 Allowed Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -71.82 52.33 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.464 -1.609 . . . . 0.0 108.106 179.709 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' GLY . 32.9 ttpt -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.21 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -88.14 -4.97 58.68 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 111.057 -178.808 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 24.7 pttm -149.22 150.27 32.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.883 -1.135 . . . . 0.0 108.92 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 17' ' ' TYR . 7.0 tp -113.55 128.38 56.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 -179.012 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.9 mttt -95.06 149.79 20.88 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.003 -1.06 . . . . 0.0 109.051 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -48.51 -21.5 0.57 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.476 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.2 t -70.93 -53.7 14.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.595 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.7 -32.41 74.07 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.516 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.03 -40.14 88.31 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' A' ' 47' ' ' ILE . 43.6 tptt -62.55 -40.07 95.64 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.585 -0.697 . . . . 0.0 110.123 179.033 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.47 -39.93 95.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 110.472 -178.523 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 17' ' ' TYR . 1.3 tt -68.94 -44.84 72.22 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.618 -1.301 . . . . 0.0 109.097 179.641 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG21 ' CD1' ' A' ' 47' ' ' ILE . 87.8 mt -71.9 -41.07 69.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 112.369 -177.121 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.18 -31.23 27.23 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.3 -1.5 . . . . 0.0 111.516 -178.174 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -99.92 -39.29 8.24 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.434 -0.791 . . . . 0.0 112.97 -177.545 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -90.04 -22.32 21.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.453 -1.404 . . . . 0.0 110.387 -177.794 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 mt -114.5 47.5 1.23 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.4 -0.812 . . . . 0.0 108.948 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -64.73 -41.24 96.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.188 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.65 -13.05 2.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.127 -0.983 . . . . 0.0 110.351 -178.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -70.04 -38.09 75.75 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.035 -1.04 . . . . 0.0 109.891 -179.131 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.7 tp -130.39 -144.6 0.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.345 -0.847 . . . . 0.0 109.609 -179.746 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -93.08 107.56 19.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.554 -0.716 . . . . 0.0 109.29 -179.883 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -67.22 133.63 50.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 179.036 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CD1' HG21 ' A' ' 36' ' ' ILE . 66.4 mt -89.44 139.88 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.75 -1.219 . . . . 0.0 108.835 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.31 -24.56 10.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.815 -0.553 . . . . 0.0 110.773 -177.78 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -119.23 145.52 45.99 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.427 -0.796 . . . . 0.0 110.211 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.99 -21.52 64.14 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.702 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -63.31 -39.79 95.54 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.38 -0.825 . . . . 0.0 110.077 -179.703 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -61.3 -40.0 84.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.47 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -61.6 -39.46 91.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.931 -179.422 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 122.01 0.91 . . . . 0.0 108.856 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.22 -33.15 61.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.402 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.9 mmm -70.99 -28.89 64.76 Favored 'General case' 0 C--O 1.198 -1.65 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.719 179.613 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.55 -39.8 81.23 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -74.71 -44.61 49.17 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.213 178.862 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.7 mt -89.25 -14.91 34.82 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.893 -1.129 . . . . 0.0 111.022 -178.125 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.8 t0 -81.19 62.61 5.2 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 178.768 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 77.5 mt-10 -59.99 -39.72 86.71 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.623 -178.066 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -80.95 -7.35 59.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 36.93 92.14 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.84 178.595 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 40.1 p-10 -107.36 2.28 24.33 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.038 -1.272 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.89 1.59 89.76 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.39 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.8 mt-10 -134.21 136.46 43.7 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.91 124.78 45.6 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.85 -1.156 . . . . 0.0 108.649 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -63.3 160.48 15.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.179 -0.951 . . . . 0.0 109.183 -179.072 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.8 t80 -48.14 -38.64 18.38 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.144 -0.972 . . . . 0.0 108.79 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.96 -39.6 75.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.705 -0.622 . . . . 0.0 110.219 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.1 mt-10 -62.81 -46.09 89.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 109.544 -179.405 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.47 -25.77 63.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 108.501 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.7 tpt -59.98 -39.17 84.77 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.049 -179.362 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.919 -1.113 . . . . 0.0 109.715 179.775 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -63.97 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.739 -0.6 . . . . 0.0 109.701 -179.224 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -66.14 -42.6 88.87 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.32 -178.521 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -69.95 -40.32 75.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.373 -1.454 . . . . 0.0 111.387 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 76' ' ' PHE . 41.1 t -64.53 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.206 -178.624 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.93 -40.09 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.542 HG23 ' CE2' ' B' ' 70' ' ' PHE . 0.7 OUTLIER -55.38 -35.77 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.344 -0.847 . . . . 0.0 109.073 178.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.99 -36.25 76.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.0 109.669 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.88 -1.137 . . . . 0.0 108.992 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.16 -40.11 96.6 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.288 -0.883 . . . . 0.0 109.168 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -77.46 -45.83 24.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.022 -179.869 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.3 m-30 -95.9 65.26 2.51 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.355 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -84.2 101.85 12.18 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.443 -0.785 . . . . 0.0 109.287 -179.456 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -70.01 -18.94 63.34 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 . -179.608 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 99.8 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.293 0.568 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.431 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.2 t 58.04 28.71 16.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.24 -0.913 . . . . 0.0 109.733 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' B' ' 2' ' ' GLU . 11.1 pt-20 -75.77 12.12 1.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 108.924 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -60.01 -33.6 72.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.538 -0.726 . . . . 0.0 110.503 -178.319 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.03 -40.07 88.07 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.22 . . . . 0.0 110.574 -179.551 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.2 -39.61 82.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.248 -0.908 . . . . 0.0 109.92 -179.13 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.94 89.36 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.357 -0.839 . . . . 0.0 111.148 -178.731 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -65.06 -39.93 93.96 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.03 -1.044 . . . . 0.0 110.211 -179.07 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.91 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-O 121.411 0.624 . . . . 0.0 110.396 -179.056 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.98 75.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.421 -0.8 . . . . 0.0 111.608 -177.694 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -39.99 87.55 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.864 -1.147 . . . . 0.0 108.326 -179.017 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.47 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.309 179.212 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.32 -40.03 96.19 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.719 -1.238 . . . . 0.0 111.259 -178.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -34.57 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.974 -1.079 . . . . 0.0 110.272 -179.084 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.95 -39.97 87.41 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.539 -1.35 . . . . 0.0 107.992 -179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -78.17 -22.12 49.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.43 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -53.08 -45.71 68.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.148 -0.97 . . . . 0.0 110.488 -178.182 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.452 ' CE2' HD11 ' B' ' 27' ' ' LEU . 16.1 p90 -116.31 -25.11 7.65 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 121.219 -0.926 . . . . 0.0 111.588 -179.027 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.0 m -62.73 -47.18 84.69 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.688 -1.257 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.02 18.55 3.21 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 120.066 -1.064 . . . . 0.0 110.948 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -60.11 -42.46 94.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.815 -1.403 . . . . 0.0 110.725 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -112.71 -39.22 4.36 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.078 -1.014 . . . . 0.0 109.537 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 156.7 -6.57 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.759 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -71.67 51.95 0.2 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.509 -1.583 . . . . 0.0 108.198 179.746 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 22' ' ' GLY . 32.6 ttpt -66.54 -40.01 88.86 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 110.522 -179.275 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -88.32 -4.74 58.63 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.886 -1.133 . . . . 0.0 111.073 -178.771 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 23' ' ' ASP . 24.6 pttm -149.36 150.2 32.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.838 -1.164 . . . . 0.0 108.869 179.137 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' B' ' 17' ' ' TYR . 7.1 tp -113.52 128.52 56.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.293 -0.879 . . . . 0.0 109.134 -179.063 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' C ' ' N ' ' B' ' 30' ' ' SER . 96.2 mttt -95.1 149.47 21.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.068 179.799 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -48.36 -21.43 0.53 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.477 ' N ' ' C ' ' B' ' 28' ' ' LYS . 40.6 t -70.97 -53.85 13.41 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.586 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -32.65 74.36 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.04 -39.98 87.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.578 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.512 ' HZ3' HG22 ' B' ' 47' ' ' ILE . 42.9 tptt -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.577 -0.702 . . . . 0.0 110.087 178.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 110.471 -178.526 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.45 HD12 ' CE1' ' B' ' 17' ' ' TYR . 1.3 tt -68.85 -45.12 71.89 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.483 -1.385 . . . . 0.0 109.112 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' B' ' 47' ' ' ILE . 86.7 mt -71.69 -40.89 70.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 112.419 -177.229 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.38 -31.06 26.92 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.201 -1.562 . . . . 0.0 111.531 -178.186 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -100.02 -39.23 8.23 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.454 -0.778 . . . . 0.0 112.98 -177.563 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.16 -22.21 21.83 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.38 -1.45 . . . . 0.0 110.38 -177.782 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 mt -114.6 47.73 1.21 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.407 -0.808 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -65.24 -40.67 94.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 111.021 -179.021 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.94 -13.38 2.49 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.189 -0.944 . . . . 0.0 110.343 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -69.79 -38.07 76.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.024 -1.048 . . . . 0.0 109.843 -179.142 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.446 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.7 tp -130.41 -144.63 0.27 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.356 -0.84 . . . . 0.0 109.646 -179.704 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -93.18 107.52 19.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.489 -0.757 . . . . 0.0 109.298 -179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.26 133.67 50.14 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.12 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' B' ' 36' ' ' ILE . 64.7 mt -89.36 139.71 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.781 -1.2 . . . . 0.0 108.835 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.09 -24.8 10.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.868 -0.52 . . . . 0.0 110.718 -177.746 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.456 -0.778 . . . . 0.0 110.33 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.56 -21.94 64.51 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.572 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.412 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -62.96 -39.95 96.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.411 -0.806 . . . . 0.0 110.076 -179.706 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.92 -40.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 36.5 t -61.37 -39.96 84.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.076 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.5 t0 -61.59 -39.54 91.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.507 -0.745 . . . . 0.0 109.89 -179.507 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.25 -40.05 89.91 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 122.039 0.923 . . . . 0.0 108.829 -179.261 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.29 -33.25 61.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.605 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.1 mmm -70.65 -29.03 65.27 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.692 179.527 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.7 -39.61 81.25 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.6 m -75.0 -44.42 48.25 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.116 178.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 41.0 mt -89.23 -14.98 34.72 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.937 -1.102 . . . . 0.0 111.023 -178.157 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -81.18 62.6 5.19 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 77.2 mt-10 -60.05 -39.85 87.37 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.612 -178.059 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -80.74 -7.48 59.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.281 179.301 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.89 91.96 Favored Glycine 0 N--CA 1.498 2.797 0 C-N-CA 119.965 -1.112 . . . . 0.0 110.835 178.62 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 40.2 p-10 -107.38 2.5 24.44 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.05 -1.265 . . . . 0.0 110.202 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.504 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.47 1.98 89.14 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.469 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.2 mt-10 -134.56 136.19 42.83 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.65 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 124.75 45.24 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.858 -1.151 . . . . 0.0 108.678 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 51.5 t0 -63.36 160.3 16.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.246 -0.909 . . . . 0.0 109.231 -179.104 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 t80 -48.03 -38.52 17.39 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.167 -0.958 . . . . 0.0 108.815 -179.89 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -70.0 -39.82 75.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.594 -0.691 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.1 mt-10 -62.56 -46.22 89.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.744 -1.223 . . . . 0.0 109.619 -179.473 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.39 -25.82 63.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.205 -0.934 . . . . 0.0 108.532 178.95 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.4 tpt -59.99 -39.22 84.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -69.75 -30.77 68.44 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.118 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' B' ' 80' ' ' VAL . 86.4 t80 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.921 -1.112 . . . . 0.0 109.81 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -64.02 -37.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 CA-C-O 121.357 0.599 . . . . 0.0 109.645 -179.1 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 0.8 OUTLIER -65.98 -42.59 89.64 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.312 -178.593 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.367 -1.458 . . . . 0.0 111.431 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 76' ' ' PHE . 40.7 t -64.32 -36.18 76.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 121.148 -0.97 . . . . 0.0 109.299 -178.707 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.535 HG23 ' CE2' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.27 -35.74 65.35 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 109.047 178.871 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.94 -36.44 77.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 109.603 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.96 -40.23 88.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.81 -1.182 . . . . 0.0 108.871 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.91 -40.29 97.13 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.231 -0.918 . . . . 0.0 109.118 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.29 -46.0 24.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 110.021 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 88' ' ' PHE . 1.3 m-30 -95.81 65.51 2.57 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -84.56 101.88 12.44 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.221 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -69.99 -18.73 63.35 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.651 -0.655 . . . . 0.0 109.296 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.331 -0.855 . . . . 0.0 . -179.669 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.192 0.52 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 50.2 40.0 21.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 74.0 mt -72.21 144.79 48.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.423 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -104.52 127.85 52.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.391 -0.818 . . . . 0.0 109.795 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 47.7 t -74.44 142.69 44.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.357 -0.839 . . . . 0.0 109.344 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -83.63 127.27 33.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 109.547 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.53 -40.0 89.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.444 -0.785 . . . . 0.0 109.706 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.93 -154.15 0.1 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 -179.526 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 100' ' ' GLN . . . . . 0.541 ' CD ' ' H ' ' X' ' 100' ' ' GLN . 1.6 pm0 -106.1 140.36 39.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.496 -1.002 . . . . 0.0 109.574 -179.725 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m -66.62 -26.98 67.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.098 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.551 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 15.0 t -47.35 -26.69 1.36 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 109.124 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -47.93 -24.69 1.1 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 108.85 179.126 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -60.01 -39.91 87.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.564 -0.71 . . . . 0.0 109.417 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.4 p-80 -59.33 -33.92 71.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.775 -1.203 . . . . 0.0 108.76 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.592 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 52.6 tttm -59.78 -33.32 71.54 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.375 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttp -56.07 -38.62 70.91 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -73.55 -24.79 60.16 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.423 0.63 . . . . 0.0 110.472 178.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.73 -24.65 64.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.153 -1.592 . . . . 0.0 109.682 -179.77 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.611 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -48.74 -31.36 6.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.472 -1.392 . . . . 0.0 109.415 -179.66 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.611 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -69.62 -40.03 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.608 -1.308 . . . . 0.0 108.138 176.778 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.431 ' N ' ' O ' ' X' ' 109' ' ' MET . 63.4 p -60.17 -33.43 72.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.786 -179.655 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.218 0.533 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 50.25 40.01 21.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.155 -0.966 . . . . 0.0 109.25 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.11 144.86 48.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 0.0 109.483 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -104.57 127.88 52.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.4 -0.813 . . . . 0.0 109.805 -179.615 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -74.44 142.69 44.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 0.0 109.29 179.67 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -83.59 127.5 33.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.17 -0.956 . . . . 0.0 109.477 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.84 -40.03 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.415 -0.803 . . . . 0.0 109.676 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.76 -153.94 0.09 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.48 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . 0.543 ' CD ' ' H ' ' Y' ' 100' ' ' GLN . 1.6 pm0 -106.23 140.05 39.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.529 -0.983 . . . . 0.0 109.639 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 53.1 m -66.25 -27.33 67.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.074 -179.523 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.559 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 15.2 t -47.22 -26.72 1.26 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.153 -0.967 . . . . 0.0 109.144 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 91.3 p -47.7 -24.64 0.98 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 108.776 178.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' Y' ' 104' ' ' ARG . 52.8 mtt-85 -59.98 -39.99 87.61 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.582 -0.699 . . . . 0.0 109.662 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.589 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.4 p-80 -59.5 -33.78 71.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.774 -1.204 . . . . 0.0 108.769 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.589 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.7 tttm -59.82 -33.15 71.37 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.347 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 62.2 tttp -56.31 -38.59 71.49 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.09 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.1 tp -73.5 -24.86 60.23 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.442 0.639 . . . . 0.0 110.515 178.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.84 -24.65 64.38 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.195 -1.566 . . . . 0.0 109.667 -179.619 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -48.77 -31.09 6.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.489 -1.382 . . . . 0.0 109.399 -179.594 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.59 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.546 -1.346 . . . . 0.0 108.218 176.759 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.427 ' N ' ' O ' ' Y' ' 109' ' ' MET . 61.9 p -60.01 -32.79 71.2 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.861 -179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.402 -0.811 . . . . 0.0 . 179.725 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m 56.8 26.85 11.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.873 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -77.61 -11.89 59.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.605 -0.684 . . . . 0.0 110.494 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.6 pt? -47.27 -18.37 0.1 Allowed 'General case' 0 C--O 1.198 -1.606 0 O-C-N 120.788 -1.195 . . . . 0.0 110.289 -179.014 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 2' ' ' GLU . 99.0 mt-10 -64.55 -39.68 94.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.34 -1.475 . . . . 0.0 109.278 -179.626 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -77.33 -36.91 53.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.98 79.54 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.571 -0.706 . . . . 0.0 110.479 -178.807 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.506 -0.746 . . . . 0.0 110.114 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.3 -38.78 83.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 121.71 0.767 . . . . 0.0 109.421 -179.554 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -67.69 -36.95 81.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.688 -0.632 . . . . 0.0 111.621 -178.378 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.49 -40.09 85.88 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -178.394 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -68.17 -39.99 82.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.206 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.56 -50.23 73.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.022 -1.049 . . . . 0.0 111.553 -178.487 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -39.75 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 110.018 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 27' ' ' LEU . 78.9 t80 -55.21 -40.44 70.8 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.416 -0.803 . . . . 0.0 109.296 -179.446 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.61 -21.12 48.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.397 -0.814 . . . . 0.0 111.213 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -58.18 -42.44 86.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.776 -1.203 . . . . 0.0 111.255 -177.769 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 15.4 p90 -114.65 -25.46 8.28 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.069 -1.019 . . . . 0.0 111.367 -178.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.472 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.6 m -60.88 -41.35 95.83 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.578 -1.327 . . . . 0.0 110.084 -179.284 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.77 85.92 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.377 -1.392 . . . . 0.0 110.173 -179.33 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -61.06 -42.94 99.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.022 -1.281 . . . . 0.0 109.517 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -79.63 -78.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 0.0 110.075 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.42 -37.72 0.03 OUTLIER Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.181 -1.485 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -81.83 107.58 14.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.694 -1.474 . . . . 0.0 109.475 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -85.98 -26.49 25.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.497 -0.752 . . . . 0.0 109.566 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -100.02 -2.63 33.96 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.236 -0.915 . . . . 0.0 110.604 -178.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -139.93 140.1 36.3 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.033 -1.042 . . . . 0.0 109.011 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 14' ' ' PHE . 9.9 tp -106.27 134.36 49.52 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.093 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 30' ' ' SER . 90.8 mttt -101.17 152.44 20.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 108.637 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -49.92 -21.92 1.35 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.644 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 28' ' ' LYS . 78.2 p -76.64 -47.16 23.08 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.216 -0.593 . . . . 0.0 109.794 179.695 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' OE2' ' O ' ' A' ' 18' ' ' SER . 49.4 mt-10 -67.93 -36.12 79.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.866 -1.146 . . . . 0.0 108.267 179.055 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.76 -41.25 90.6 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.446 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.07 -39.83 95.88 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.573 -0.704 . . . . 0.0 109.534 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.17 -39.64 87.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 110.48 -178.628 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -69.71 -42.84 73.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.523 -1.361 . . . . 0.0 108.93 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 47' ' ' ILE . 93.7 mt -69.93 -43.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.414 -0.804 . . . . 0.0 111.725 -177.741 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 2.0 m-20 -81.29 -34.75 31.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.466 -1.396 . . . . 0.0 112.537 -178.059 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -100.18 -36.83 9.17 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.017 -1.052 . . . . 0.0 113.276 -176.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.46 -15.3 43.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.475 -1.391 . . . . 0.0 110.668 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 44' ' ' LEU . 30.3 mt -111.91 54.83 0.69 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -57.1 -42.31 80.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.052 -1.03 . . . . 0.0 109.604 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -138.1 -11.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.025 -1.047 . . . . 0.0 110.653 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.06 -21.64 63.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.733 -1.23 . . . . 0.0 110.058 -179.157 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 40' ' ' LEU . 5.0 tp -151.9 167.28 28.84 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.818 -1.176 . . . . 0.0 107.997 178.503 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 13.9 pt-20 -69.43 118.0 11.75 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.791 -1.193 . . . . 0.0 109.083 179.872 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 37' ' ' ASN . 33.3 mt-10 -65.89 154.38 39.41 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 60.7 mt -99.3 139.19 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.254 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -110.17 -24.42 10.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.192 -0.943 . . . . 0.0 109.916 -178.292 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 41.8 mt-10 -113.14 140.61 47.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.51 -0.744 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -19.51 63.87 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.715 179.182 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.7 pt-20 -60.58 -40.42 91.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.152 -0.968 . . . . 0.0 109.662 -179.104 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 57.3 t -60.27 -39.16 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.8 -38.5 82.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.705 -0.622 . . . . 0.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.87 -38.56 89.13 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.499 -0.751 . . . . 0.0 109.84 -179.124 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -67.25 -39.9 86.18 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.664 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -66.76 -32.6 58.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 179.044 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.6 mmm -70.02 -27.37 64.62 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.836 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.79 -39.87 78.53 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -76.31 -42.5 44.95 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.124 178.873 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -90.11 -14.81 32.93 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.782 -1.199 . . . . 0.0 111.052 -178.145 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.63 ' N ' ' O ' ' A' ' 57' ' ' MET . 64.0 t0 -81.59 59.78 4.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.63 -39.1 83.2 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.106 -178.047 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 65' ' ' ASP . 58.7 p30 -80.54 -5.99 57.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.925 -1.109 . . . . 0.0 108.833 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 64.27 35.98 92.64 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.86 178.667 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.7 p-10 -107.02 0.62 23.77 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.009 -1.289 . . . . 0.0 110.062 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.48 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.71 6.13 89.56 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 -179.244 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 70.2 mt-10 -139.41 136.52 34.78 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.674 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.18 121.26 41.16 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.728 -1.232 . . . . 0.0 107.769 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.4 t0 -59.92 163.69 4.43 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.271 -0.893 . . . . 0.0 108.684 -178.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.4 t80 -48.26 -40.01 23.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.665 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.9 -46.43 89.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.689 -0.632 . . . . 0.0 110.448 178.678 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.64 -40.03 95.72 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 110.967 -177.859 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -69.83 -32.9 71.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.65 -1.281 . . . . 0.0 109.163 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.485 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 72.9 mmm -60.14 -38.38 82.92 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.331 0.586 . . . . 0.0 110.36 -179.09 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.74 78.12 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.781 -1.199 . . . . 0.0 110.154 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 80' ' ' VAL . 67.5 t80 -60.32 -26.02 66.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.392 -0.817 . . . . 0.0 110.119 179.857 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.6 t -77.09 -32.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.081 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 -178.776 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 p -67.67 -41.01 84.4 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ptm -73.49 -42.13 62.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 110.948 -179.458 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' PHE . 88.5 t -60.09 -37.68 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.675 -1.266 . . . . 0.0 109.428 -179.491 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' CYS . 99.0 m -59.39 -39.57 83.81 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -48.58 -40.27 26.7 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.11 -34.46 78.47 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.324 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.1 t -59.99 -38.09 81.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 179.462 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -60.0 -40.35 88.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.064 -1.022 . . . . 0.0 108.633 -179.618 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.03 -39.67 86.7 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.29 -24.4 29.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.651 -0.656 . . . . 0.0 110.228 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' CYS . 57.1 t80 -60.16 -38.61 83.71 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -179.576 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.62 94.02 3.14 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.681 0.753 . . . . 0.0 109.428 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -69.99 -24.74 63.36 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.721 -0.612 . . . . 0.0 109.794 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.297 -0.877 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m 57.8 27.07 13.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 0.0 108.839 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.4 mt-10 -77.09 -12.96 60.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.755 -0.59 . . . . 0.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.629 HD23 ' N ' ' B' ' 3' ' ' LEU . 1.6 pt? -46.88 -18.27 0.07 Allowed 'General case' 0 C--O 1.199 -1.58 0 O-C-N 120.771 -1.206 . . . . 0.0 110.418 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 2' ' ' GLU . 98.9 mt-10 -65.04 -39.53 93.47 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.46 -1.4 . . . . 0.0 109.336 -179.584 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -77.12 -36.82 55.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.36 -46.9 81.4 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.596 -0.69 . . . . 0.0 110.744 -178.9 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.8 mtt -60.85 -40.8 94.24 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.382 -0.824 . . . . 0.0 109.914 -179.349 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.7 -38.59 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-O 121.924 0.868 . . . . 0.0 109.492 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.77 80.18 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.727 -0.608 . . . . 0.0 111.768 -178.227 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.0 -40.09 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.621 -178.386 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.54 -40.15 83.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.302 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.1 -50.12 74.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.04 . . . . 0.0 111.092 -178.49 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -40.0 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.55 -0.719 . . . . 0.0 110.038 -179.097 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' B' ' 27' ' ' LEU . 73.1 t80 -55.0 -40.07 69.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.262 -179.409 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -78.91 -20.87 48.33 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.304 -0.872 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -58.59 -42.42 88.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.652 -1.28 . . . . 0.0 111.319 -177.482 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.2 p90 -114.7 -25.06 8.43 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 121.061 -1.024 . . . . 0.0 111.411 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 50.6 m -61.37 -41.32 96.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.655 -1.278 . . . . 0.0 110.173 -179.188 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.71 -9.91 86.15 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 119.231 -1.462 . . . . 0.0 109.973 -179.559 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.16 -42.42 94.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -1.225 . . . . 0.0 109.321 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -80.28 -78.27 0.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.339 -178.7 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.74 -37.24 0.03 OUTLIER Glycine 0 N--CA 1.487 2.087 0 C-N-CA 119.268 -1.444 . . . . 0.0 110.524 -179.558 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.99 106.65 14.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.662 -1.493 . . . . 0.0 109.602 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -84.87 -26.51 27.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.66 -0.65 . . . . 0.0 109.77 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -100.1 -2.75 33.42 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 -178.894 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -140.22 140.1 35.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.078 -1.014 . . . . 0.0 109.313 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' B' ' 14' ' ' PHE . 10.0 tp -105.85 135.13 47.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' B' ' 30' ' ' SER . 86.2 mttt -102.02 152.4 21.01 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.64 -22.84 1.44 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.594 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' C ' ' B' ' 28' ' ' LYS . 81.3 p -76.41 -46.15 28.45 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.938 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 18' ' ' SER . 50.1 mt-10 -68.49 -36.88 79.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.016 -1.053 . . . . 0.0 108.3 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.28 -41.75 89.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.264 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.49 -39.03 92.18 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.437 -0.789 . . . . 0.0 109.449 178.789 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.53 -39.36 87.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.303 -0.873 . . . . 0.0 110.311 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -69.75 -43.49 72.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.682 -1.261 . . . . 0.0 109.014 179.848 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.469 HG21 HD12 ' B' ' 47' ' ' ILE . 91.6 mt -69.5 -44.03 80.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 O-C-N 121.437 -0.789 . . . . 0.0 111.741 -177.439 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 2.0 m-20 -80.89 -34.27 33.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.811 -1.181 . . . . 0.0 112.64 -177.866 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -100.48 -38.34 8.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.077 -1.015 . . . . 0.0 113.151 -176.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -84.19 -15.25 47.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.5 -1.375 . . . . 0.0 110.887 -177.488 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 44' ' ' LEU . 26.1 mt -111.63 54.69 0.68 Allowed 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.075 -1.016 . . . . 0.0 109.627 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -57.17 -42.22 80.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.034 -1.041 . . . . 0.0 109.501 -179.641 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -137.71 -11.46 1.56 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.986 -1.071 . . . . 0.0 110.58 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.08 -22.39 63.05 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.904 -1.123 . . . . 0.0 109.936 -179.214 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.42 ' HB3' HD13 ' B' ' 40' ' ' LEU . 4.9 tp -151.93 166.47 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.998 -1.064 . . . . 0.0 108.32 178.899 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 15.4 pt-20 -68.84 118.4 11.75 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.678 -1.264 . . . . 0.0 109.124 179.779 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 33.0 mt-10 -65.96 153.75 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.239 -0.913 . . . . 0.0 109.637 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.512 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 60.8 mt -98.88 138.92 21.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.253 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -110.15 -23.02 11.49 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.142 -0.974 . . . . 0.0 110.151 -178.228 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 41.8 mt-10 -114.68 141.01 48.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.495 -0.753 . . . . 0.0 109.072 179.89 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -19.4 63.78 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.493 -0.883 . . . . 0.0 108.924 179.261 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 9.1 pt-20 -60.42 -40.55 91.43 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.737 -179.212 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 66.4 t -59.91 -39.86 81.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.606 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.45 -39.14 84.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.7 -0.625 . . . . 0.0 110.181 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -65.11 -38.81 91.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.596 0.712 . . . . 0.0 109.911 -179.171 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.27 -40.11 86.13 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.719 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.73 -32.54 58.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.024 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.651 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.0 mmm -69.97 -27.71 64.94 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.497 -0.881 . . . . 0.0 108.729 179.111 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.53 -39.77 77.32 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 178.176 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.6 m -75.95 -43.46 44.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.816 -0.552 . . . . 0.0 110.761 178.724 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.27 -14.85 34.91 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.055 -1.028 . . . . 0.0 111.202 -177.864 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -82.06 60.06 4.69 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 179.319 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.54 -39.47 84.05 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.993 -177.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -80.65 -6.71 58.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.804 -1.185 . . . . 0.0 109.015 179.516 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.93 36.62 93.29 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.976 178.812 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.11 1.49 24.22 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.098 -1.237 . . . . 0.0 109.914 179.822 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.13 6.5 89.15 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 68.7 mt-10 -139.73 136.67 34.42 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.769 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.76 121.81 41.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.724 -1.235 . . . . 0.0 108.055 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 43.2 t0 -59.63 164.53 3.52 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.172 -0.955 . . . . 0.0 108.797 -179.443 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.4 t80 -49.32 -40.17 34.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.939 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.82 -46.74 88.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.472 0.653 . . . . 0.0 110.457 178.68 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.85 -40.8 96.59 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.049 -1.032 . . . . 0.0 110.98 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -69.45 -32.6 71.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.793 -1.192 . . . . 0.0 109.078 179.286 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.5 mmm -60.4 -39.37 87.08 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.596 -0.69 . . . . 0.0 110.361 -179.231 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.409 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.0 -35.43 80.56 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.67 -1.269 . . . . 0.0 110.047 -178.845 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.16 -25.43 65.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 -179.655 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -77.57 -33.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.091 -1.006 . . . . 0.0 109.465 -178.786 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 10.7 p -66.97 -40.77 87.53 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.805 -178.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.21 -41.64 61.06 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.857 -1.152 . . . . 0.0 111.048 -179.387 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.3 -37.6 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.562 -1.336 . . . . 0.0 109.267 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' ' N ' ' B' ' 84' ' ' CYS . 97.0 m -59.44 -39.87 84.95 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -48.37 -39.69 23.11 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.609 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.06 79.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' B' ' 88' ' ' PHE . 8.7 t -59.92 -38.48 82.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.431 -0.793 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.99 -39.98 87.57 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.954 -1.091 . . . . 0.0 108.687 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.34 -39.03 85.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -84.77 -24.53 28.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.815 . . . . 0.0 110.017 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.8 t80 -59.83 -38.86 83.22 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.826 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -76.21 94.52 3.54 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.204 -179.705 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -70.0 -24.33 63.29 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.821 -0.549 . . . . 0.0 109.668 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.892 . . . . 0.0 . -179.781 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -60.99 -40.1 92.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.637 -0.664 . . . . 0.0 109.429 179.589 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 mp 52.29 40.79 29.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.505 -0.747 . . . . 0.0 109.091 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 51.41 40.04 25.69 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -80.55 161.56 24.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.441 -0.787 . . . . 0.0 109.498 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -86.88 145.72 26.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.318 -0.864 . . . . 0.0 108.925 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.57 -39.9 89.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.135 -0.978 . . . . 0.0 108.919 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.45 -171.4 31.01 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -139.94 176.51 8.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -1.014 . . . . 0.0 109.247 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 69.4 m -54.82 -32.94 61.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.45 -0.781 . . . . 0.0 109.563 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.574 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.0 t -46.2 -26.27 0.75 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.997 -1.064 . . . . 0.0 109.399 -179.756 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -49.16 -24.84 1.85 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 108.644 178.517 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.48 -35.91 63.57 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.49 -0.756 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' X' ' 102' ' ' THR . 8.0 p-80 -57.5 -35.8 70.7 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.556 -1.34 . . . . 0.0 108.602 179.683 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.4 tttt -59.59 -34.52 72.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.603 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -55.4 -40.06 70.95 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.781 -1.199 . . . . 0.0 107.909 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.593 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 8.1 tp -73.06 -25.21 60.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.641 -0.662 . . . . 0.0 110.39 179.632 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.24 -24.37 54.26 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.512 -1.367 . . . . 0.0 109.382 -179.485 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.7 p90 -41.44 -39.7 1.57 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.389 -0.819 . . . . 0.0 109.586 -179.085 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.593 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 14.6 mtmt -71.46 -43.47 66.58 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.856 -1.153 . . . . 0.0 108.12 176.736 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 0.7 OUTLIER -66.31 -27.2 67.73 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.825 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' X' X ' 113' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' X' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.406 0 O-C-N 121.602 -0.686 . . . . 0.0 . 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.425 0.631 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -62.32 -40.12 95.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 109.194 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mp 53.05 40.01 30.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.444 -0.785 . . . . 0.0 109.178 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 51.85 40.07 27.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.158 -0.964 . . . . 0.0 109.816 179.754 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 94.8 p -80.42 161.55 24.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.421 -0.8 . . . . 0.0 109.368 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -87.3 145.84 26.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.198 -0.939 . . . . 0.0 109.081 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.27 -40.13 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.189 -0.944 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.78 -171.71 31.21 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -139.93 176.06 9.06 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.427 -1.043 . . . . 0.0 109.206 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.4 ' O ' ' C ' ' Y' ' 102' ' ' THR . 61.1 m -54.7 -32.48 59.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.344 -0.847 . . . . 0.0 109.554 179.715 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.555 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.1 t -46.17 -26.12 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.959 -1.088 . . . . 0.0 109.731 -179.586 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 62.1 m -49.58 -24.69 2.27 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.738 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -53.93 -36.3 62.63 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.1 p-80 -57.03 -36.76 70.84 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.681 -1.262 . . . . 0.0 108.743 179.489 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.596 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.5 tttt -58.77 -34.67 71.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.534 -0.729 . . . . 0.0 109.063 179.493 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -55.51 -39.82 71.0 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.622 -1.299 . . . . 0.0 108.165 179.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.597 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 8.9 tp -73.31 -25.6 60.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.675 -0.641 . . . . 0.0 110.331 179.46 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.54 -24.44 46.84 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.633 -1.292 . . . . 0.0 109.361 -179.403 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.7 p90 -41.35 -39.03 1.33 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.547 -0.721 . . . . 0.0 109.746 -179.013 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.597 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 15.1 mtmt -72.13 -44.08 63.7 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.498 ' N ' ' O ' ' Y' ' 109' ' ' MET . 0.7 OUTLIER -65.28 -27.68 68.8 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.779 -179.085 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' Y' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.666 -0.647 . . . . 0.0 . -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.244 0.545 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 p 49.99 20.74 0.62 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.245 -0.91 . . . . 0.0 109.679 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -76.49 8.36 3.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 109.311 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 tt -59.97 -36.54 77.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.721 -0.612 . . . . 0.0 111.771 -178.547 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.01 -39.92 87.49 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.816 -1.177 . . . . 0.0 109.605 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -69.54 -33.32 72.62 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.376 -0.828 . . . . 0.0 109.172 -179.062 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.03 79.81 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.767 -179.345 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.9 mtt -64.96 -40.05 94.42 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.15 -0.969 . . . . 0.0 109.205 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.99 -39.91 86.99 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.66 0.743 . . . . 0.0 109.206 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.47 93.6 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.837 -0.539 . . . . 0.0 111.121 -179.043 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 77' ' ' VAL . 90.4 mt -60.08 -39.85 87.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.911 -1.118 . . . . 0.0 108.861 -178.611 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.87 -37.82 79.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.593 -0.692 . . . . 0.0 110.415 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.02 -48.21 82.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.699 -1.251 . . . . 0.0 110.656 -179.059 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -39.95 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.751 -178.791 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.08 -40.01 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.36 -0.838 . . . . 0.0 109.614 -179.316 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.98 -39.61 86.26 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.168 -0.957 . . . . 0.0 111.007 -178.632 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.888 -1.132 . . . . 0.0 111.353 -178.183 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 47.0 m-85 -89.32 -28.68 19.68 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.695 -1.253 . . . . 0.0 112.404 -178.286 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -63.04 -39.98 96.35 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.792 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.1 -7.22 85.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.54 -43.37 98.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.071 -1.252 . . . . 0.0 110.866 -178.763 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -100.8 -5.75 25.84 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.077 -1.014 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.92 -17.2 58.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.155 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' LYS . 73.0 m-20 -82.91 68.86 9.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.786 -1.42 . . . . 0.0 108.367 179.391 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.808 -0.558 . . . . 0.0 110.877 -179.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -77.34 -19.99 55.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.208 -0.932 . . . . 0.0 111.6 -177.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . 15.0 ptpt -148.23 159.1 44.32 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.561 -1.337 . . . . 0.0 111.307 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -109.83 136.73 48.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 40.2 mtmt -106.86 156.54 18.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.299 -0.875 . . . . 0.0 108.739 179.214 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.578 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 14.8 ttmm -44.21 -27.32 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -0.874 . . . . 0.0 108.753 179.371 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' LYS . 67.3 m -77.36 -48.48 17.21 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.296 0.57 . . . . 0.0 109.817 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.3 tt0 -70.03 -29.96 67.14 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.42 -39.94 92.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.567 -0.708 . . . . 0.0 109.531 178.7 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.126 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 4.2 tp10 -70.81 -37.06 73.24 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 109.614 -178.897 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.711 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -60.43 -50.01 75.28 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.701 -1.249 . . . . 0.0 108.682 179.372 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 36' ' ' ILE . 51.6 mt -74.52 -48.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 -178.282 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -66.44 -40.45 89.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.151 -0.968 . . . . 0.0 112.984 -176.319 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.584 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 70.1 m-20 -98.07 -34.67 10.69 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.122 -0.986 . . . . 0.0 113.649 -176.659 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.01 -10.86 59.8 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.059 -1.651 . . . . 0.0 109.317 -178.253 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mt -132.11 58.98 1.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.749 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' ND1' ' A' ' 42' ' ' HIS . 54.3 p -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 110.503 -178.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.534 ' ND1' ' OG ' ' A' ' 41' ' ' SER . 17.5 p-80 -134.88 -16.73 1.95 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.127 -0.983 . . . . 0.0 110.656 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.38 -39.33 94.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.746 -1.221 . . . . 0.0 109.223 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.673 HD23 ' H ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -126.75 157.78 38.23 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.817 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.673 ' H ' HD23 ' A' ' 44' ' ' LEU . 7.7 pt-20 -57.97 116.97 3.84 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.322 -1.486 . . . . 0.0 109.024 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.01 146.96 40.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.514 -0.741 . . . . 0.0 109.217 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -82.3 137.46 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.769 -1.207 . . . . 0.0 108.184 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -106.71 -18.61 13.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.416 -0.803 . . . . 0.0 110.048 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 52.6 tp10 -143.13 140.17 30.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.079 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.97 -31.05 69.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.922 . . . . 0.0 110.364 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.1 pt-20 -51.69 -34.47 38.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.007 -1.058 . . . . 0.0 109.738 -178.459 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.54 -38.56 81.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 108.504 178.885 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.7 -33.37 59.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HA ' ' HZ2' ' A' ' 29' ' ' LYS . 62.8 t0 -66.68 -37.81 85.52 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.788 0.804 . . . . 0.0 109.315 179.685 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.96 -39.98 87.38 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.818 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG2' ' NE2' ' X' ' 105' ' ' HIS . 40.4 t -64.82 -31.41 53.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.553 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.578 ' SD ' ' NZ ' ' A' ' 29' ' ' LYS . 2.7 mtt -70.05 -32.85 71.16 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.946 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -39.93 77.6 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.125 -1.609 . . . . 0.0 106.825 179.028 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.4 m -87.87 -40.04 14.31 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 72' ' ' GLU . 18.7 tp -88.45 -17.21 30.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 110.947 -177.11 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.4 t0 -81.08 63.36 5.41 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.872 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 75.4 mt-10 -57.71 -40.01 78.56 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 81.9 m-20 -71.18 -19.98 62.34 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.688 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.32 31.22 79.77 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 31.9 p-10 -107.85 5.94 26.94 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.111 -1.229 . . . . 0.0 110.239 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.82 10.01 86.15 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.49 -1.844 . . . . 0.0 108.49 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 73.5 mt-10 -146.27 135.59 22.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 136.37 43.38 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.648 -1.283 . . . . 0.0 107.705 178.814 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 31.7 t0 -78.9 169.99 17.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.357 -0.839 . . . . 0.0 109.537 -178.914 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 8.5 t80 -49.45 -38.73 30.66 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.269 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.77 -50.51 72.07 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.804 -0.56 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' HD11 ' A' ' 60' ' ' LEU . 41.8 mt-10 -61.31 -40.28 93.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 110.531 -177.909 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.7 -30.75 69.47 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 108.733 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.513 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.08 -39.97 87.91 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.572 0.701 . . . . 0.0 109.477 -178.452 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.31 68.51 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 110.19 -179.322 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 80' ' ' VAL . 37.6 t80 -63.81 -24.37 67.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.032 -1.043 . . . . 0.0 108.926 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 10' ' ' LEU . 3.5 t -71.2 -39.66 73.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.82 0.819 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.523 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -70.07 -43.39 71.26 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.456 -177.616 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -40.46 90.21 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.634 -1.291 . . . . 0.0 110.851 -178.304 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' PHE . 18.8 t -69.97 -33.09 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.604 -1.31 . . . . 0.0 108.85 -179.824 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 108.684 179.745 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -39.79 86.84 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.66 80.62 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.06 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -59.3 -33.69 71.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.375 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.986 -1.071 . . . . 0.0 108.777 179.5 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -40.08 93.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 178.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.16 -39.98 74.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 109.489 179.496 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.77 64.97 7.51 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.739 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -75.0 108.35 7.67 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -59.98 -39.99 87.6 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 . . . . . 0 C--N 1.301 -1.518 0 O-C-N 121.359 -0.838 . . . . 0.0 . 179.158 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 p 49.94 20.84 0.62 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.4 8.23 3.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.452 -0.78 . . . . 0.0 109.296 179.643 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.93 -36.39 76.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.573 -0.705 . . . . 0.0 111.81 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.01 -39.97 87.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.735 -1.228 . . . . 0.0 109.56 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.474 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -69.15 -33.77 73.94 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.424 -0.797 . . . . 0.0 109.171 -179.2 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.01 80.43 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.492 -0.755 . . . . 0.0 110.789 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -65.16 -39.98 93.71 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.108 -0.995 . . . . 0.0 109.213 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.87 -39.94 86.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.708 0.766 . . . . 0.0 109.173 -179.698 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.31 93.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.825 -0.547 . . . . 0.0 111.225 -178.919 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.651 HD22 HG11 ' B' ' 77' ' ' VAL . 90.1 mt -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.827 -1.17 . . . . 0.0 108.774 -178.66 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.77 -37.83 79.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.582 -0.699 . . . . 0.0 110.523 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -48.27 82.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.744 -1.223 . . . . 0.0 110.687 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -40.04 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.89 -40.05 83.28 Favored 'General case' 0 C--O 1.201 -1.481 0 O-C-N 121.299 -0.875 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -59.97 -39.63 86.3 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.233 -0.917 . . . . 0.0 110.996 -178.615 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.905 -1.122 . . . . 0.0 111.394 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.456 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 47.9 m-85 -89.35 -28.65 19.67 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.698 -1.251 . . . . 0.0 112.46 -178.264 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -63.05 -40.0 96.41 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -178.531 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.12 -7.22 85.56 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.09 -1.241 . . . . 0.0 110.881 -178.736 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -100.62 -6.15 25.64 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.088 -1.007 . . . . 0.0 109.761 -179.752 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.11 -17.07 58.57 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.218 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.0 m-20 -82.96 69.12 9.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.742 -1.446 . . . . 0.0 108.395 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -60.07 -39.99 87.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.845 -0.534 . . . . 0.0 110.908 -178.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.52 -20.1 54.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.199 -0.938 . . . . 0.0 111.719 -178.015 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' B' ' 23' ' ' ASP . 15.2 ptpt -147.78 159.37 43.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.575 -1.328 . . . . 0.0 111.21 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.3 mt -110.34 136.92 48.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 30' ' ' SER . 39.4 mtmt -106.88 156.8 18.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.858 . . . . 0.0 108.712 179.268 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.582 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 14.7 ttmm -44.37 -27.23 0.41 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.329 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.7 m -77.51 -48.24 17.55 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.842 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 28.9 tt0 -69.96 -30.35 67.7 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.25 -39.96 93.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.629 -0.669 . . . . 0.0 109.558 178.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.05 -40.01 87.93 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.29 -0.881 . . . . 0.0 110.13 -179.67 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.588 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 4.3 tp10 -70.65 -37.36 73.71 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 109.607 -178.923 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.714 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.7 tm? -60.29 -50.02 75.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -74.51 -48.66 34.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 111.597 -178.318 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -66.5 -40.46 89.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.078 -1.013 . . . . 0.0 113.002 -176.328 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.588 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 70.1 m-20 -98.05 -34.67 10.7 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.629 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.98 -11.51 59.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.08 -1.637 . . . . 0.0 109.307 -178.205 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.22 58.87 1.7 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' ND1' ' B' ' 42' ' ' HIS . 56.7 p -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 0.0 110.473 -178.853 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.532 ' ND1' ' OG ' ' B' ' 41' ' ' SER . 17.3 p-80 -134.96 -16.32 1.95 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.163 -0.961 . . . . 0.0 110.619 -179.283 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.54 -39.5 94.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 109.231 -179.721 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 ' H ' ' B' ' 45' ' ' GLU . 0.5 OUTLIER -126.53 158.53 35.92 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.778 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.645 ' H ' HD23 ' B' ' 44' ' ' LEU . 8.7 pt-20 -58.5 117.33 4.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.299 -1.501 . . . . 0.0 109.005 -179.55 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 147.0 40.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.534 -0.729 . . . . 0.0 109.092 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -82.51 137.26 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.135 . . . . 0.0 108.156 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -106.47 -18.92 13.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.44 -0.788 . . . . 0.0 110.089 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 52.6 tp10 -143.05 140.32 30.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.212 -0.93 . . . . 0.0 109.087 -178.728 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.91 -31.29 69.68 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.311 -0.868 . . . . 0.0 110.351 -179.296 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.5 pt-20 -51.67 -34.39 38.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.083 -1.011 . . . . 0.0 109.714 -178.392 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.67 -38.45 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.204 -0.935 . . . . 0.0 108.572 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.55 -33.64 61.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.407 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 63.4 t0 -66.61 -37.6 85.21 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.734 0.778 . . . . 0.0 109.343 179.753 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.07 -40.06 86.98 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.753 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.85 -31.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.652 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.582 ' SD ' ' NZ ' ' B' ' 29' ' ' LYS . 2.8 mtt -70.03 -32.84 71.19 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.95 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -40.01 77.77 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.04 -1.662 . . . . 0.0 106.826 179.034 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.8 m -87.85 -40.02 14.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.899 -0.501 . . . . 0.0 111.069 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.452 HD11 ' O ' ' B' ' 72' ' ' GLU . 18.3 tp -88.49 -17.17 30.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.1 -1.0 . . . . 0.0 111.029 -177.084 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.7 t0 -80.97 63.34 5.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.439 -1.413 . . . . 0.0 107.234 178.799 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 79.5 mt-10 -57.51 -40.05 77.86 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.034 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 79.9 m-20 -71.59 -19.93 62.07 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.62 31.25 79.43 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 31.8 p-10 -107.82 5.8 26.86 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.067 -1.255 . . . . 0.0 110.263 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.88 9.96 86.17 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.524 -1.831 . . . . 0.0 108.524 -179.385 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 73.6 mt-10 -146.22 135.5 22.84 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 136.21 43.59 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.686 -1.259 . . . . 0.0 107.658 178.835 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 33.3 t0 -78.97 169.98 17.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.387 -0.82 . . . . 0.0 109.503 -178.905 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 9.5 t80 -49.38 -39.01 30.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.248 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.65 -50.73 71.36 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.804 -0.56 . . . . 0.0 111.186 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.452 ' O ' HD11 ' B' ' 60' ' ' LEU . 41.1 mt-10 -60.7 -40.74 93.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.046 -1.034 . . . . 0.0 110.614 -178.128 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -68.75 -30.48 69.1 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 108.782 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.01 87.76 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.612 0.72 . . . . 0.0 109.425 -178.635 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.27 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.795 -1.19 . . . . 0.0 110.246 -179.209 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' B' ' 80' ' ' VAL . 37.7 t80 -63.67 -24.55 67.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.033 -1.042 . . . . 0.0 108.964 179.41 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.651 HG11 HD22 ' B' ' 10' ' ' LEU . 3.4 t -71.52 -39.02 69.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 O-C-N 121.33 -0.856 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.513 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -70.22 -43.52 70.47 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.358 -177.782 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.637 -1.289 . . . . 0.0 110.869 -178.385 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 76' ' ' PHE . 19.9 t -70.02 -32.92 53.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.563 -1.336 . . . . 0.0 108.987 -179.822 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -60.01 -40.06 87.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -39.93 87.39 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.16 78.92 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.26 -34.14 71.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.506 -0.747 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.05 -41.1 91.6 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.985 -1.072 . . . . 0.0 108.739 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.59 -40.01 93.23 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.42 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.0 109.541 179.441 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.74 65.22 7.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.724 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.86 108.2 7.44 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 . . . . . 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 0.0 . 179.268 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.325 0.583 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' X' X ' 93' ' ' HIS . . . . . 0.538 ' ND1' ' N ' ' X' ' 94' ' ' LEU . 35.3 t-80 -80.55 159.43 25.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.88 . . . . 0.0 109.819 -179.821 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.538 ' N ' ' ND1' ' X' ' 93' ' ' HIS . 87.3 mt -99.05 11.75 38.08 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.31 -0.869 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 50.16 -175.79 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.323 -179.589 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 60.8 p -153.36 169.18 23.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.371 -0.831 . . . . 0.0 109.004 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' X' X ' 97' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' X' ' 99' ' ' GLY . 86.4 tttt -59.3 137.7 57.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.04 . . . . 0.0 109.216 -179.62 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.57 -40.03 90.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.774 -179.384 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' X' X ' 99' ' ' GLY . . . . . 0.405 ' H ' ' HG2' ' X' ' 97' ' ' LYS . . . 81.95 -157.84 37.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 -179.564 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -138.4 170.66 15.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.331 -1.1 . . . . 0.0 109.323 -179.799 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.455 ' O ' ' N ' ' X' ' 103' ' ' SER . 86.8 p -45.96 -24.6 0.43 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 34.7 m -42.65 -24.64 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.698 . . . . 0.0 109.682 179.768 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.455 ' N ' ' O ' ' X' ' 101' ' ' SER . 80.8 p -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.175 -0.953 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -60.03 -40.0 87.83 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.162 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.461 ' NE2' ' CG2' ' A' ' 56' ' ' VAL . 36.4 t-80 -57.57 -37.38 73.08 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.116 -0.99 . . . . 0.0 108.45 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -31.84 70.24 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 17.9 pttt -55.17 -32.16 61.93 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.569 ' O ' HD23 ' X' ' 108' ' ' LEU . 1.2 tt -76.89 -24.89 52.53 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.007 0.908 . . . . 0.0 109.665 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.9 -24.71 64.52 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.155 -1.591 . . . . 0.0 109.216 179.638 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.549 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.9 OUTLIER -48.82 -28.61 3.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.556 -1.34 . . . . 0.0 109.292 -179.107 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.549 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -69.98 -40.0 75.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.721 -1.237 . . . . 0.0 107.769 176.129 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.5 p -60.05 -32.45 70.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.236 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 0.0 . 179.869 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . 0.541 ' ND1' ' N ' ' Y' ' 94' ' ' LEU . 35.1 t-80 -80.46 159.51 25.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.349 -0.844 . . . . 0.0 109.784 -179.836 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.541 ' N ' ' ND1' ' Y' ' 93' ' ' HIS . 89.4 mt -99.47 12.24 36.93 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.185 -0.947 . . . . 0.0 109.143 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' Y' ' 94' ' ' LEU . 2.5 mppt? 49.87 -175.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.388 -179.67 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 62.1 p -153.52 169.15 23.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.86 . . . . 0.0 109.029 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' Y' ' 99' ' ' GLY . 85.4 tttt -59.19 137.62 57.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.043 -1.036 . . . . 0.0 109.18 -179.578 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -60.61 -39.95 90.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.385 -0.822 . . . . 0.0 109.803 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . 0.406 ' H ' ' HG2' ' Y' ' 97' ' ' LYS . . . 81.83 -157.81 38.09 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -179.652 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -138.48 170.77 15.42 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.312 -1.111 . . . . 0.0 109.34 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.451 ' O ' ' N ' ' Y' ' 103' ' ' SER . 82.3 p -46.0 -24.68 0.45 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 32.7 m -42.67 -24.57 0.06 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.623 -0.673 . . . . 0.0 109.637 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.451 ' N ' ' O ' ' Y' ' 101' ' ' SER . 81.8 p -60.0 -38.82 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.171 -0.956 . . . . 0.0 108.921 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.972 . . . . 0.0 108.527 179.116 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -57.47 -37.63 73.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.111 -0.993 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.01 -31.37 69.87 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.092 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 19.4 pttt -55.43 -32.05 62.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.78 -1.2 . . . . 0.0 107.802 179.589 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.578 ' O ' HD23 ' Y' ' 108' ' ' LEU . 1.2 tt -76.89 -24.87 52.54 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.987 0.898 . . . . 0.0 109.65 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -60.0 -24.73 64.71 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.162 -1.586 . . . . 0.0 109.277 179.72 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.9 OUTLIER -48.65 -28.76 3.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.587 -1.321 . . . . 0.0 109.342 -179.269 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.689 -1.257 . . . . 0.0 107.758 176.167 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.482 ' N ' ' O ' ' Y' ' 109' ' ' MET . 44.9 p -59.98 -31.9 70.33 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.284 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 . 179.802 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m 58.1 21.81 8.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.418 -0.801 . . . . 0.0 109.481 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -77.8 9.84 3.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.84 . . . . 0.0 109.422 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.86 -38.02 80.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 0.0 110.471 -177.556 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.13 -39.8 87.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.809 -1.182 . . . . 0.0 110.082 -179.205 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' H ' ' HE2' ' A' ' 5' ' ' LYS . 1.4 mppt? -67.94 -39.08 83.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 109.898 -179.445 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.05 85.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.118 -0.989 . . . . 0.0 110.849 -178.896 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.0 mtt -62.07 -40.05 94.5 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.127 -0.983 . . . . 0.0 109.356 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.34 -39.27 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-O 121.609 0.718 . . . . 0.0 109.098 -179.683 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.84 95.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.724 -0.61 . . . . 0.0 111.624 -178.455 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.98 -40.01 87.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.657 -1.277 . . . . 0.0 108.347 -179.239 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.32 -39.98 85.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.655 -0.653 . . . . 0.0 110.992 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -66.87 -40.12 87.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.631 -1.293 . . . . 0.0 111.757 -178.205 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.91 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.275 -0.891 . . . . 0.0 110.672 -178.325 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.48 -39.95 68.0 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.205 -0.934 . . . . 0.0 109.067 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -77.41 -22.16 52.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.611 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -55.53 -46.65 77.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.687 -1.258 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 29.1 p90 -114.1 -25.83 8.35 Favored 'General case' 0 N--CA 1.507 2.399 0 C-N-CA 119.696 -0.801 . . . . 0.0 112.168 -177.73 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -67.56 -40.07 84.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.555 -1.34 . . . . 0.0 110.754 -178.487 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.26 59.83 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.424 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 61.7 mtp180 -59.96 -49.97 75.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.548 -1.56 . . . . 0.0 109.108 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -93.04 165.74 12.7 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.716 -179.082 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.5 -18.25 15.0 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.527 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' CG ' ' HZ1' ' A' ' 26' ' ' LYS . 90.5 m-20 -73.1 51.36 0.3 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.003 -1.293 . . . . 0.0 109.746 -179.564 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 24' ' ' LYS . 12.1 ttmm -71.54 -40.07 70.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.728 -1.232 . . . . 0.0 110.194 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.43 -0.2 57.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.233 -0.917 . . . . 0.0 110.354 -178.361 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HZ1' ' CG ' ' A' ' 23' ' ' ASP . 19.0 pttp -148.13 167.73 24.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.232 -0.917 . . . . 0.0 108.784 -179.748 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 tp -122.48 131.64 53.96 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.189 -0.944 . . . . 0.0 109.062 -179.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 23.0 tptm -106.74 145.94 31.45 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.095 -1.003 . . . . 0.0 109.203 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ttmm -38.09 -24.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.571 0.7 . . . . 0.0 109.215 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' LYS . 15.5 t -74.52 -50.01 19.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.804 . . . . 0.0 109.276 179.373 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.2 mt-10 -68.05 -35.05 77.6 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.123 -0.985 . . . . 0.0 108.913 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.167 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE2' HD22 ' A' ' 37' ' ' ASN . 86.4 tttt -60.41 -39.42 87.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 179.091 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 86.4 tt0 -62.42 -39.9 94.82 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.901 0.858 . . . . 0.0 109.238 -179.266 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.664 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.9 tm? -60.1 -49.04 79.2 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.878 -1.139 . . . . 0.0 108.605 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.55 -47.94 43.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.5 -0.75 . . . . 0.0 112.208 -177.872 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 96.2 m-20 -79.52 -46.56 17.16 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.538 -1.351 . . . . 0.0 112.742 -176.39 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -77.12 -50.53 12.82 Favored 'General case' 0 C--N 1.285 -2.229 0 O-C-N 121.464 -0.773 . . . . 0.0 112.98 -176.497 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' ' CD2' ' A' ' 35' ' ' LEU . 75.8 tt0 -71.43 -39.99 70.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.623 -1.298 . . . . 0.0 110.276 -178.164 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.66 61.84 1.36 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.338 -0.851 . . . . 0.0 108.731 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 109.921 -179.544 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -136.54 -14.96 1.66 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.218 -0.926 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.5 t80 -66.97 -35.11 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.026 -1.046 . . . . 0.0 109.74 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -130.02 160.36 33.91 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.69 114.39 4.95 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.816 -1.178 . . . . 0.0 109.975 -178.871 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -59.92 141.99 54.48 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.237 0.541 . . . . 0.0 110.184 179.718 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 49' ' ' GLU . 5.8 mm -76.1 135.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 108.894 179.49 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -2.35 26.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.539 -0.726 . . . . 0.0 110.712 -178.716 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -152.29 132.89 13.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.943 -1.098 . . . . 0.0 108.985 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -60.05 -28.08 67.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 0.0 111.223 -179.128 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 18.1 pt-20 -60.01 -36.84 78.1 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.858 -1.151 . . . . 0.0 109.643 -179.252 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.02 -37.01 70.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.58 -1.266 . . . . 0.0 107.58 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.73 -33.88 64.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -66.45 -36.72 83.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.344 -0.848 . . . . 0.0 109.397 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -68.37 -39.8 81.66 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.2 -38.57 77.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 67.2 mmm -70.55 -23.71 62.66 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.271 179.885 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.35 -39.97 84.9 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 119.96 -1.713 . . . . 0.0 106.606 178.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -40.22 15.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.501 -0.75 . . . . 0.0 109.705 178.34 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 76' ' ' PHE . 1.1 mp -75.98 -27.25 57.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.129 -0.982 . . . . 0.0 109.952 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.9 t0 -79.0 58.94 2.54 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.809 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.43 -35.73 72.54 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -179.216 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.28 -11.42 59.91 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.471 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.02 29.9 76.21 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 39.4 p-10 -107.88 10.53 28.54 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.184 -1.186 . . . . 0.0 110.284 -179.405 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.07 3.38 64.59 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 93.3 mt-10 -131.66 131.07 42.86 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.425 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.69 124.49 42.03 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.489 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 56.4 t0 -63.25 158.61 19.71 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -178.775 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 t80 -48.32 -37.5 16.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.127 -0.983 . . . . 0.0 108.861 -179.683 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -69.21 -39.5 78.56 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.907 -1.12 . . . . 0.0 109.99 179.198 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.17 -42.54 99.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.874 -1.141 . . . . 0.0 110.071 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -66.89 -35.32 79.74 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 108.778 179.409 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.412 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.3 mmm -59.96 -36.42 77.07 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.294 0.569 . . . . 0.0 110.103 -179.076 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.38 -34.83 78.09 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.89 -1.131 . . . . 0.0 110.795 -179.283 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.656 ' HB2' HD11 ' A' ' 60' ' ' LEU . 71.6 t80 -59.96 -39.87 87.11 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.974 -1.079 . . . . 0.0 109.339 -179.727 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.295 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.214 -179.062 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 59.6 p -61.51 -40.03 93.14 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.424 -0.798 . . . . 0.0 110.236 -178.378 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 mtm -74.24 -43.96 54.95 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.88 -178.402 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.504 HG22 ' HZ3' ' X' ' 111' ' ' LYS . 51.0 t -59.96 -37.87 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.85 -1.156 . . . . 0.0 110.206 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.7 m -59.96 -37.75 80.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.05 -40.18 73.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.694 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.94 84.21 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.299 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.8 t -59.86 -33.4 71.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.436 -0.79 . . . . 0.0 109.236 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.419 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 14.0 t-80 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.949 -1.094 . . . . 0.0 109.105 -179.581 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.68 -41.24 94.7 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.09 -39.61 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.559 -0.713 . . . . 0.0 109.606 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 53.73 2.0 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -179.656 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.95 114.88 5.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 108.814 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -54.03 -31.67 51.99 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 . . . . . 0 N--CA 1.5 2.03 0 O-C-N 121.545 -0.722 . . . . 0.0 . 179.749 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.309 0.576 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m 57.51 22.71 8.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.475 -0.766 . . . . 0.0 109.43 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -78.04 9.88 3.33 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 109.356 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.87 -38.49 82.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 110.581 -177.597 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.96 -39.91 87.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.813 -1.179 . . . . 0.0 110.049 -179.019 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.466 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.2 mppt? -67.53 -39.57 85.06 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.32 -0.863 . . . . 0.0 109.909 -179.547 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.13 86.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.17 -0.956 . . . . 0.0 110.822 -178.88 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.2 mtt -62.3 -40.04 94.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 109.438 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.34 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.1 96.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.729 -0.607 . . . . 0.0 111.663 -178.461 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.91 -40.04 87.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.643 -1.286 . . . . 0.0 108.395 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.5 mt -66.19 -40.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.696 -0.627 . . . . 0.0 111.05 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.91 -40.06 87.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.712 -1.242 . . . . 0.0 111.762 -178.252 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -39.62 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.298 -0.876 . . . . 0.0 110.722 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.5 -40.06 68.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 0.0 109.055 179.815 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -77.37 -22.18 52.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.941 . . . . 0.0 111.62 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.32 -46.84 76.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.663 -1.273 . . . . 0.0 110.717 -178.413 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 27.2 p90 -114.07 -25.9 8.33 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.376 -0.827 . . . . 0.0 112.339 -177.695 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -67.52 -39.98 85.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.674 -1.267 . . . . 0.0 110.679 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.41 -8.74 60.01 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.484 -178.328 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.521 ' NH1' ' OE2' ' B' ' 34' ' ' GLU . 60.5 mtp180 -60.07 -49.91 75.78 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.596 -1.532 . . . . 0.0 109.074 179.706 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -92.99 166.02 12.58 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.521 0.677 . . . . 0.0 109.814 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.31 -19.02 15.59 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.625 ' CG ' ' HZ1' ' B' ' 26' ' ' LYS . 91.2 m-20 -72.99 51.31 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.004 -1.292 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -71.5 -40.03 70.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.722 -1.236 . . . . 0.0 110.235 179.693 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -89.32 -0.06 57.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.264 -0.897 . . . . 0.0 110.278 -178.485 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.625 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 20.3 pttp -148.35 168.11 23.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 108.888 -179.601 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -123.18 131.57 53.73 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 109.141 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.561 ' O ' ' N ' ' B' ' 30' ' ' SER . 22.2 tptm -106.57 146.12 31.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.147 -0.97 . . . . 0.0 109.231 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ttmm -38.2 -24.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.56 0.695 . . . . 0.0 109.196 178.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.561 ' N ' ' O ' ' B' ' 28' ' ' LYS . 14.3 t -74.64 -50.03 19.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.425 -0.797 . . . . 0.0 109.307 179.386 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 70.2 mt-10 -67.86 -35.16 78.06 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.083 -1.011 . . . . 0.0 108.906 179.002 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.03 -42.76 95.1 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.315 -0.866 . . . . 0.0 109.155 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.407 ' HE2' HD22 ' B' ' 37' ' ' ASN . 85.8 tttt -60.47 -39.63 88.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.203 -0.935 . . . . 0.0 109.186 179.023 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.521 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 86.9 tt0 -62.21 -39.82 94.04 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.907 0.86 . . . . 0.0 109.303 -179.209 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.672 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.9 tm? -60.21 -48.78 80.27 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 120.929 -1.107 . . . . 0.0 108.633 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.04 -47.76 40.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.452 -0.78 . . . . 0.0 112.134 -177.829 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.7 m-20 -79.4 -47.04 16.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.606 -1.309 . . . . 0.0 112.737 -176.292 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -77.17 -50.26 13.36 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 121.514 -0.741 . . . . 0.0 112.932 -176.402 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' B' ' 35' ' ' LEU . 78.3 tt0 -71.68 -40.11 69.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.581 -1.324 . . . . 0.0 110.319 -178.22 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.31 61.88 1.46 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.338 -0.851 . . . . 0.0 108.802 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.1 m -60.01 -39.98 87.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.338 -0.851 . . . . 0.0 110.078 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.69 -14.92 1.62 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.4 t80 -67.26 -35.05 78.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 0.0 109.809 -179.364 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tp -129.9 160.07 34.68 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.66 114.73 5.18 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.736 -1.227 . . . . 0.0 110.029 -178.811 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -59.8 142.03 54.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.8 -0.563 . . . . 0.0 110.267 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.596 HG22 ' H ' ' B' ' 49' ' ' GLU . 5.6 mm -76.12 135.81 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.196 -0.94 . . . . 0.0 108.831 179.375 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -2.41 26.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -178.658 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.596 ' H ' HG22 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -152.52 133.31 14.0 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.973 -1.079 . . . . 0.0 108.993 -179.658 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' B' ' 49' ' ' GLU . 1.0 OUTLIER -60.12 -28.1 67.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.687 . . . . 0.0 111.277 -179.172 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.455 ' N ' ' OE2' ' B' ' 49' ' ' GLU . 18.3 pt-20 -60.28 -36.7 78.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.908 -1.12 . . . . 0.0 109.797 -179.253 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.02 -37.16 71.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.85 -33.71 63.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -66.5 -36.8 83.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.426 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HD3' ' HD1' ' Y' ' 105' ' ' HIS . 55.3 tttm -68.74 -39.69 80.22 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.491 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -38.51 76.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 177.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 67.5 mmm -70.82 -23.72 62.41 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.29 -39.91 84.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 119.998 -1.689 . . . . 0.0 106.749 178.746 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -40.35 14.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.598 -0.689 . . . . 0.0 109.635 178.435 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' B' ' 76' ' ' PHE . 1.2 mp -75.63 -27.73 58.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.254 -0.903 . . . . 0.0 110.006 -179.523 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 50.3 t0 -78.77 59.15 2.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 178.876 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -58.95 -35.24 72.82 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -76.43 -11.51 59.9 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.18 29.71 75.74 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.663 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 38.0 p-10 -107.66 10.26 29.04 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.222 -1.164 . . . . 0.0 110.199 -179.409 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.543 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.05 3.63 65.25 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 -179.263 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 93.6 mt-10 -131.61 131.05 42.94 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.71 124.82 42.2 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.531 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.2 t0 -63.37 158.61 20.07 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.325 -0.859 . . . . 0.0 108.757 -178.8 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.2 t80 -48.24 -37.74 16.81 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.169 -0.957 . . . . 0.0 108.77 -179.738 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -69.14 -39.06 79.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.956 -1.09 . . . . 0.0 110.099 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.85 -42.06 99.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.735 -1.228 . . . . 0.0 110.06 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.01 -35.28 79.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.296 -0.877 . . . . 0.0 108.769 179.392 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 76.3 mmm -60.0 -36.46 77.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.255 0.55 . . . . 0.0 110.194 -179.101 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.448 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -67.49 -34.63 77.54 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.633 ' HB2' HD11 ' B' ' 60' ' ' LEU . 72.3 t80 -59.91 -39.86 86.84 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.935 -1.103 . . . . 0.0 109.342 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.466 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.6 t -60.1 -39.35 80.18 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.24 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.217 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 54.1 p -61.57 -40.02 93.23 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.233 -178.341 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.4 mtm -74.43 -43.51 55.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.063 -178.332 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.422 HG22 ' HZ3' ' Y' ' 111' ' ' LYS . 53.0 t -60.05 -38.28 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.983 -1.073 . . . . 0.0 110.048 -178.763 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.2 m -59.85 -37.58 79.65 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -40.18 73.16 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.57 84.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.93 -33.36 71.79 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.469 -0.769 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.436 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 12.2 t-80 -59.94 -40.98 90.82 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.931 -179.61 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.73 -41.25 94.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.0 -1.063 . . . . 0.0 108.179 178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.04 -39.78 75.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 109.514 179.323 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 53.52 2.02 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -65.81 114.9 5.4 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.246 -0.908 . . . . 0.0 108.789 -179.351 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -54.18 -31.6 53.23 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.5 2.038 0 O-C-N 121.583 -0.698 . . . . 0.0 . 179.719 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.195 0.522 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -60.25 -39.99 88.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.785 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 88.2 mt -74.29 158.8 33.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.855 . . . . 0.0 109.506 -179.529 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -97.74 159.65 14.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.56 -0.712 . . . . 0.0 109.314 -179.336 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p 60.17 -171.03 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.356 -0.84 . . . . 0.0 108.898 -178.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 97' ' ' LYS . . . . . 0.651 ' HZ3' ' H ' ' X' ' 100' ' ' GLN . 55.0 tttm -140.67 125.28 17.92 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.707 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.38 -40.25 93.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.79 . . . . 0.0 109.825 -179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.48 80.0 1.15 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 100' ' ' GLN . . . . . 0.651 ' H ' ' HZ3' ' X' ' 97' ' ' LYS . 22.0 pt20 -140.64 177.34 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -1.139 . . . . 0.0 109.583 -179.921 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.538 ' O ' ' N ' ' X' ' 103' ' ' SER . 91.0 p -50.13 -28.07 6.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.843 . . . . 0.0 110.188 -179.463 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.43 ' C ' ' O ' ' X' ' 101' ' ' SER . 24.1 m -40.0 -24.3 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.537 -0.727 . . . . 0.0 109.862 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 101' ' ' SER . 64.7 m -58.19 -38.15 76.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.411 -0.805 . . . . 0.0 109.671 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.471 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.1 OUTLIER -60.0 -39.9 87.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.917 -1.115 . . . . 0.0 109.224 -179.671 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.471 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 5.0 t-80 -61.26 -38.82 88.06 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.272 179.604 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -59.65 -35.33 74.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.561 -0.712 . . . . 0.0 109.23 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.9 -41.02 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.665 -1.272 . . . . 0.0 108.426 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.5 -30.17 67.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.441 -0.787 . . . . 0.0 109.805 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' X' ' 112' ' ' THR . 34.0 mmt -54.36 -24.41 19.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.957 -1.09 . . . . 0.0 109.25 -179.578 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -40.33 -35.86 0.47 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.596 -0.69 . . . . 0.0 109.646 -179.839 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.504 ' HZ3' HG22 ' A' ' 80' ' ' VAL . 17.3 mtmt -79.71 -40.01 29.9 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.006 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 3.4 m -65.62 -41.59 92.5 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.519 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.51 2.57 0 C-N-CA 122.909 0.484 . . . . 0.0 . 179.442 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.254 0.549 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -60.16 -39.98 88.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.481 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 84.8 mt -74.54 159.13 32.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -98.18 159.97 14.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.516 -0.74 . . . . 0.0 109.357 -179.279 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p 60.51 -171.18 0.14 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.322 -0.861 . . . . 0.0 108.753 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . 0.65 ' HZ3' ' H ' ' Y' ' 100' ' ' GLN . 55.7 tttm -140.92 125.41 17.72 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.231 -0.918 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -61.37 -40.45 94.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 0.0 109.676 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 108.89 80.54 1.22 Allowed Glycine 0 N--CA 1.502 3.055 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.862 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . 0.65 ' H ' ' HZ3' ' Y' ' 97' ' ' LYS . 21.9 pt20 -140.27 177.6 7.88 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.329 -1.1 . . . . 0.0 109.463 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.527 ' O ' ' N ' ' Y' ' 103' ' ' SER . 91.2 p -50.07 -28.03 6.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.339 -0.851 . . . . 0.0 110.221 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.426 ' C ' ' O ' ' Y' ' 101' ' ' SER . 24.1 m -40.18 -24.33 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.515 -0.741 . . . . 0.0 109.893 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.527 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.3 m -58.08 -38.26 76.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.45 -0.781 . . . . 0.0 109.556 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.462 ' NH1' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -60.0 -39.7 86.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.806 -1.184 . . . . 0.0 109.329 -179.597 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.461 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 5.1 t-80 -61.52 -38.2 86.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.222 -0.924 . . . . 0.0 109.272 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.84 -35.5 74.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 0.0 109.13 -179.324 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.92 -40.95 90.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.616 -1.302 . . . . 0.0 108.577 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.35 -30.06 67.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.298 -0.876 . . . . 0.0 109.803 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.502 ' O ' ' N ' ' Y' ' 112' ' ' THR . 34.5 mmt -54.42 -24.47 20.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.979 -1.076 . . . . 0.0 109.283 -179.599 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -40.39 -36.11 0.51 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.595 -0.691 . . . . 0.0 109.556 -179.892 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.458 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 17.4 mtmt -79.53 -40.04 30.52 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.502 ' N ' ' O ' ' Y' ' 109' ' ' MET . 3.6 m -65.72 -40.57 92.36 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.443 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.511 2.604 0 C-N-CA 122.923 0.489 . . . . 0.0 . 179.457 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.36 0.6 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 58.48 24.62 12.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.445 -0.784 . . . . 0.0 109.787 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.06 13.01 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -0.815 . . . . 0.0 108.886 179.232 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -58.65 -35.13 72.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 0.0 109.775 -178.423 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.928 -1.108 . . . . 0.0 109.269 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -66.28 -40.01 89.78 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.494 -0.754 . . . . 0.0 110.251 -179.572 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.0 77.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.283 -0.885 . . . . 0.0 111.863 -177.671 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.465 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 37.1 mtt -67.24 -38.34 85.04 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.856 -1.152 . . . . 0.0 109.457 -179.069 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.19 -36.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.753 -0.592 . . . . 0.0 109.849 -179.617 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.66 77.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.571 -0.706 . . . . 0.0 111.477 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.98 -40.09 87.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.835 -1.165 . . . . 0.0 108.575 -179.087 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.48 -38.42 76.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.2 t0 -60.17 -44.6 94.9 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.915 -1.115 . . . . 0.0 111.04 -179.45 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.06 -39.22 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.076 -1.015 . . . . 0.0 109.097 -179.526 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -52.75 -39.7 62.44 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.661 -1.274 . . . . 0.0 108.919 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.97 -21.42 63.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.417 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -45.36 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.197 -0.939 . . . . 0.0 110.0 -178.679 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -97.41 -34.58 10.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.83 -1.169 . . . . 0.0 111.71 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 2.8 t -60.83 -43.12 98.69 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 120.846 -1.159 . . . . 0.0 110.392 -178.327 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -11.16 82.2 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.01 -43.14 95.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.232 -1.158 . . . . 0.0 109.317 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.49 169.51 8.91 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.662 0.744 . . . . 0.0 110.074 -179.219 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.03 -32.04 62.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 26' ' ' LYS . 10.2 t0 -74.01 68.03 1.33 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.572 -1.546 . . . . 0.0 109.292 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' O ' ' OG ' ' A' ' 18' ' ' SER . 13.6 ttmm -69.97 -40.05 75.6 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.439 -0.788 . . . . 0.0 110.607 -179.762 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -81.07 -13.88 58.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.127 . . . . 0.0 110.879 -178.302 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 9.1 mtpm? -139.28 152.92 47.64 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -179.179 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.15 125.92 54.64 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.127 0.489 . . . . 0.0 110.628 -178.837 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -93.12 151.55 19.78 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.353 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -43.59 -22.67 0.05 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.848 -1.158 . . . . 0.0 108.75 -179.842 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LYS . 45.8 t -69.95 -49.3 53.21 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.078 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.75 -33.63 72.71 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.743 -1.223 . . . . 0.0 108.38 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.98 -39.1 84.54 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.807 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.02 -40.05 87.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.443 -0.786 . . . . 0.0 110.047 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.54 -39.3 74.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.012 -1.055 . . . . 0.0 110.383 -178.667 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.83 -50.66 68.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.761 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.512 HG23 HD12 ' A' ' 40' ' ' LEU . 55.7 mt -73.2 -42.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.614 -0.679 . . . . 0.0 111.331 -177.676 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -69.73 -38.5 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.914 -1.116 . . . . 0.0 111.503 -178.135 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -99.22 -34.89 10.17 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -79.9 -10.92 59.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.228 -1.545 . . . . 0.0 110.237 -177.291 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 HG23 ' A' ' 36' ' ' ILE . 27.9 mt -117.37 46.62 1.67 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 0.0 110.443 -178.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -125.95 -6.53 6.7 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.274 -0.891 . . . . 0.0 110.279 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.456 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -61.77 -48.84 78.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 108.62 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.32 -176.56 5.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.0 110.699 -179.397 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 51.7 tp10 -54.57 98.74 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.61 162.51 12.85 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.544 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.0 139.65 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.98 . . . . 0.0 109.833 -179.172 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -113.66 -26.58 8.18 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.501 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -121.17 147.28 45.81 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.757 0.789 . . . . 0.0 110.283 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -70.02 -21.32 63.21 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.692 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.4 pt-20 -60.29 -39.98 88.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 110.656 -179.177 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 60.4 t -60.02 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.73 -38.08 80.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.333 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.028 0.918 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.58 -29.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.026 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -64.83 -35.18 80.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.36 -39.77 73.43 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.27 -1.519 . . . . 0.0 106.916 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 m -79.23 -44.88 20.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.577 -0.702 . . . . 0.0 111.609 179.504 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 17.4 mt -88.7 -18.29 28.18 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.702 -1.248 . . . . 0.0 111.16 -177.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 57' ' ' MET . 30.9 t0 -81.33 61.48 4.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 179.233 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -60.0 -40.0 87.71 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.629 -177.781 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 40.4 p-10 -89.94 -0.78 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.067 -1.02 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.13 39.74 97.44 Favored Glycine 0 N--CA 1.495 2.582 0 C-N-CA 119.52 -1.324 . . . . 0.0 109.813 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.8 p-10 -103.22 -0.99 29.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -1.135 . . . . 0.0 109.966 -179.552 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.52 -1.12 73.29 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.76 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 20.8 pt-20 -140.04 137.37 34.54 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.6 128.55 45.71 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.51 170.12 13.99 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.426 ' CE2' HG23 ' B' ' 82' ' ' THR . 5.9 t80 -48.86 -40.01 27.93 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.568 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.02 -49.39 70.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.753 -0.592 . . . . 0.0 111.048 179.711 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -60.05 -41.45 92.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.972 -1.08 . . . . 0.0 110.656 -178.474 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -70.87 -26.96 63.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.884 -1.135 . . . . 0.0 108.229 178.67 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -59.95 -39.91 87.22 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.94 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.37 -32.24 69.84 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.132 -0.98 . . . . 0.0 110.56 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.95 -40.15 88.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.639 -1.288 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.59 -35.34 74.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.605 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.514 ' O ' ' SD ' ' B' ' 74' ' ' MET . 7.7 t -60.82 -44.86 96.36 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.853 0.835 . . . . 0.0 110.537 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.55 ' C ' ' HZ2' ' X' ' 111' ' ' LYS . 79.5 mtp -69.93 -40.62 75.42 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.694 -0.629 . . . . 0.0 111.59 -177.729 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.97 -32.07 50.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.863 -1.148 . . . . 0.0 109.888 -179.048 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -40.0 87.73 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.871 0.843 . . . . 0.0 109.022 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.433 HG23 ' CE2' ' B' ' 70' ' ' PHE . 2.0 m -58.99 -39.86 83.12 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.71 75.65 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.359 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.04 -34.01 72.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.541 -0.725 . . . . 0.0 109.233 179.442 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.28 -43.72 92.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.947 . . . . 0.0 108.63 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -39.96 95.66 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.882 178.474 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -67.81 -40.04 83.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.836 . . . . 0.0 110.371 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CE1' ' CE1' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -86.97 44.68 1.19 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.334 -0.854 . . . . 0.0 110.028 -178.708 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -93.42 79.94 4.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.999 -1.063 . . . . 0.0 109.113 179.302 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.47 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 21.0 m80 -82.39 -10.39 59.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.313 -0.867 . . . . 0.0 109.576 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.177 -0.952 . . . . 0.0 . -179.988 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.323 0.582 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.429 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 59.17 24.25 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.728 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.01 13.29 0.9 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.382 -0.824 . . . . 0.0 108.885 179.281 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.6 tp -58.88 -35.24 72.66 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.737 -178.576 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 0.0 109.298 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -66.13 -40.03 90.34 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.538 -0.726 . . . . 0.0 110.294 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.94 77.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 111.858 -177.701 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.456 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 37.1 mtt -67.08 -38.52 85.89 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.936 -1.102 . . . . 0.0 109.515 -179.116 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.11 -36.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.776 -0.577 . . . . 0.0 109.89 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.64 77.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 111.535 -177.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.872 -1.142 . . . . 0.0 108.468 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt -69.38 -38.56 77.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -60.16 -44.36 95.08 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.897 -1.127 . . . . 0.0 110.998 -179.443 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -38.96 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.121 -179.449 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.82 -39.79 62.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.772 -1.205 . . . . 0.0 108.829 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.98 -21.41 63.24 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.039 -1.038 . . . . 0.0 109.39 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -45.58 92.07 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.199 -0.938 . . . . 0.0 110.084 -178.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.34 -34.37 11.08 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.882 -1.136 . . . . 0.0 111.713 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t -60.95 -43.09 99.22 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 110.517 -178.345 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -11.03 82.3 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.03 -43.26 95.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -1.155 . . . . 0.0 109.336 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.53 169.2 9.14 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.61 0.719 . . . . 0.0 110.089 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.21 61.89 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.3 t0 -73.71 68.0 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.574 -1.545 . . . . 0.0 109.282 -179.221 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.461 ' O ' ' OG ' ' B' ' 18' ' ' SER . 12.9 ttmm -69.98 -39.97 75.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.381 -0.825 . . . . 0.0 110.659 -179.818 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -81.01 -14.19 58.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.927 -1.108 . . . . 0.0 110.952 -178.335 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 9.0 mtpm? -139.07 152.96 47.96 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.003 -1.061 . . . . 0.0 110.338 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -112.13 125.87 54.58 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.7 tttt -92.99 151.39 19.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.319 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -43.64 -22.64 0.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 108.758 -179.691 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.1 t -69.96 -49.12 54.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.062 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.77 -33.53 72.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.762 -1.211 . . . . 0.0 108.45 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -39.15 84.87 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.785 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.494 -0.753 . . . . 0.0 110.03 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.63 -38.87 73.93 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.013 -1.054 . . . . 0.0 110.409 -178.62 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.32 -50.57 67.27 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.785 -1.197 . . . . 0.0 109.686 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.513 HG23 HD12 ' B' ' 40' ' ' LEU . 61.4 mt -73.1 -43.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.617 -0.677 . . . . 0.0 111.261 -177.789 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.51 -38.77 77.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.817 -1.177 . . . . 0.0 111.504 -178.077 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -99.01 -34.9 10.23 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -79.72 -10.97 59.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.164 -1.585 . . . . 0.0 110.189 -177.28 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.513 HD12 HG23 ' B' ' 36' ' ' ILE . 29.1 mt -117.42 46.5 1.7 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.463 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -60.05 -39.94 87.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.835 . . . . 0.0 110.438 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -125.66 -6.57 6.87 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.322 -0.861 . . . . 0.0 110.302 -179.527 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -61.8 -48.78 79.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.04 -1.038 . . . . 0.0 108.629 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.39 -176.52 5.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.098 -1.001 . . . . 0.0 110.676 -179.356 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 51.4 tp10 -54.59 98.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.592 0.71 . . . . 0.0 109.43 -179.612 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.5 162.52 12.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.505 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.01 139.67 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.856 -179.158 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -113.6 -26.64 8.17 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.471 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -121.1 147.13 45.98 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 121.843 0.83 . . . . 0.0 110.358 -179.863 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -70.05 -21.12 63.2 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.3 pt-20 -60.39 -40.01 89.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.571 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 60.0 t -60.03 -40.08 82.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.68 -38.23 81.07 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.78 -39.86 93.18 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.084 0.945 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.449 ' HZ3' ' CE1' ' Y' ' 105' ' ' HIS . 2.8 ttmp? -65.17 -40.04 93.73 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.43 -29.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.935 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -64.86 -35.14 80.17 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.151 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.34 -39.58 73.07 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.2 m -79.44 -45.02 20.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.582 -0.699 . . . . 0.0 111.587 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 17.1 mt -88.57 -18.36 28.24 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.735 -1.228 . . . . 0.0 111.167 -177.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' MET . 32.6 t0 -81.37 61.48 4.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.232 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -60.03 -40.02 87.9 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.655 -177.793 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 40.2 p-10 -89.99 -0.59 57.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.085 -1.009 . . . . 0.0 109.432 -179.584 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.06 39.96 97.7 Favored Glycine 0 N--CA 1.493 2.489 0 C-N-CA 119.526 -1.321 . . . . 0.0 109.838 179.205 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 34.1 p-10 -103.52 -1.1 28.91 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.215 -1.168 . . . . 0.0 110.014 -179.509 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.39 -0.95 73.23 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.812 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 20.9 pt-20 -140.19 137.43 34.34 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.437 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.67 128.76 45.77 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.051 -1.031 . . . . 0.0 108.221 -179.907 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -71.58 170.38 13.52 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.558 -0.714 . . . . 0.0 109.361 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CE2' HG23 ' A' ' 82' ' ' THR . 5.7 t80 -49.21 -39.99 31.81 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.157 -0.964 . . . . 0.0 108.519 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -64.8 -49.37 70.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.885 -0.509 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -60.07 -41.78 93.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 110.577 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.85 -26.54 63.32 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.03 87.83 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.057 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.16 69.62 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.181 -0.95 . . . . 0.0 110.636 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.08 -40.15 88.55 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.663 -1.273 . . . . 0.0 110.253 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.407 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.55 -35.45 74.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.604 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.52 ' O ' ' SD ' ' A' ' 74' ' ' MET . 7.7 t -60.64 -45.08 95.43 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.865 0.84 . . . . 0.0 110.476 -179.42 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.61 ' C ' ' HZ2' ' Y' ' 111' ' ' LYS . 80.1 mtp -69.78 -40.51 76.01 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.614 -0.679 . . . . 0.0 111.696 -177.692 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.0 -32.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.912 -1.117 . . . . 0.0 109.816 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.821 0.819 . . . . 0.0 109.0 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.426 HG23 ' CE2' ' A' ' 70' ' ' PHE . 2.0 m -58.86 -39.96 82.89 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.7 75.45 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.02 -34.19 73.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.554 -0.716 . . . . 0.0 109.204 179.49 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.03 -43.87 91.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.102 -0.999 . . . . 0.0 108.579 -179.892 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.467 -0.893 . . . . 0.0 108.911 178.565 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.89 -39.99 83.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' B' ' 90' ' ' HIS . 0.2 OUTLIER -86.87 44.6 1.18 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.34 -0.85 . . . . 0.0 109.981 -178.686 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.55 80.13 4.32 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.037 -1.039 . . . . 0.0 109.08 179.24 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 20.4 m80 -82.3 -10.52 59.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.376 -0.827 . . . . 0.0 109.581 179.744 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 0.0 . -179.99 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' X' X ' 93' ' ' HIS . . . . . 0.419 ' C ' HD22 ' X' ' 94' ' ' LEU . 45.4 m80 -60.91 -40.06 91.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.325 -0.859 . . . . 0.0 110.467 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.701 HD22 ' N ' ' X' ' 94' ' ' LEU . 2.8 mm? -98.42 117.79 33.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.972 -1.08 . . . . 0.0 108.501 179.701 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -69.97 -40.02 75.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 -179.573 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -86.18 133.47 33.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.334 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -103.99 119.94 39.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.382 -0.824 . . . . 0.0 109.115 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -130.65 141.85 50.43 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.553 -0.717 . . . . 0.0 109.123 179.772 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.19 -161.53 50.02 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -130.15 148.35 51.98 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.44 -1.035 . . . . 0.0 109.268 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -61.81 -24.76 67.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 109.35 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.586 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 2.7 t -46.61 -27.68 1.22 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 0.0 109.388 -179.599 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -52.11 -33.17 38.58 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.834 -1.166 . . . . 0.0 108.673 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -60.5 -39.94 89.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.394 -0.816 . . . . 0.0 110.166 179.716 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.598 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 2.9 p-80 -59.23 -37.48 77.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.715 -1.241 . . . . 0.0 108.798 -179.208 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.598 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 86.8 tttt -59.95 -30.47 69.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.317 -0.864 . . . . 0.0 109.226 179.73 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -59.9 -40.02 87.36 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.876 -1.14 . . . . 0.0 108.379 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.546 HD11 ' HZ3' ' X' ' 111' ' ' LYS . 23.2 tp -72.36 -26.48 61.92 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.759 0.79 . . . . 0.0 109.079 179.028 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.419 ' O ' ' C ' ' X' ' 110' ' ' PHE . 20.9 mmt -65.06 -24.22 67.4 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.974 -1.079 . . . . 0.0 109.953 179.243 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -39.96 -46.71 2.11 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.361 -0.837 . . . . 0.0 110.64 -177.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 41.5 pttt -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 109.821 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 112' ' ' THR . . . . . 0.402 ' N ' ' O ' ' X' ' 109' ' ' MET . 81.1 p -62.39 -29.03 70.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.083 -1.01 . . . . 0.0 109.138 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.425 -0.797 . . . . 0.0 . 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . 0.433 ' C ' HD22 ' Y' ' 94' ' ' LEU . 46.3 m80 -60.96 -40.02 91.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.455 -179.61 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.693 HD22 ' N ' ' Y' ' 94' ' ' LEU . 2.9 mm? -98.45 117.47 32.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.009 -1.057 . . . . 0.0 108.562 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.422 -0.799 . . . . 0.0 109.704 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 12.9 m -86.04 133.63 33.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.305 -0.872 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -104.29 119.97 40.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.441 -0.787 . . . . 0.0 108.998 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -130.68 141.63 50.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.38 -161.45 50.53 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -130.38 148.39 52.19 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.512 -0.993 . . . . 0.0 109.198 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 81.1 p -61.87 -24.78 67.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 0.0 109.334 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.578 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 2.9 t -46.61 -27.64 1.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.174 -0.954 . . . . 0.0 109.426 -179.603 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t -52.26 -32.95 39.52 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.849 -1.157 . . . . 0.0 108.697 179.389 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.6 -39.98 90.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 110.117 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.593 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 2.9 p-80 -59.12 -37.54 77.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.723 -1.235 . . . . 0.0 108.939 -179.323 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.593 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.294 -0.879 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -60.02 -39.94 87.6 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.971 -1.081 . . . . 0.0 108.345 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.41 HD11 ' HZ3' ' Y' ' 111' ' ' LYS . 22.8 tp -72.57 -26.38 61.7 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.679 0.752 . . . . 0.0 108.974 179.044 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -65.0 -24.17 67.43 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.961 -1.087 . . . . 0.0 109.936 179.168 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.7 p90 -39.98 -46.71 2.12 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.297 -0.877 . . . . 0.0 110.577 -178.043 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.61 ' HZ2' ' C ' ' B' ' 79' ' ' MET . 42.8 pttt -80.0 -29.2 39.4 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 109.761 -179.941 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 82.7 p -60.29 -30.06 69.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.078 -1.014 . . . . 0.0 109.354 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.406 -0.809 . . . . 0.0 . -179.599 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 ptm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.421 0.629 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t 62.08 19.46 10.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.324 -0.86 . . . . 0.0 109.552 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.73 -7.31 55.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.758 0.79 . . . . 0.0 109.079 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.02 -21.87 1.39 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.757 -0.59 . . . . 0.0 110.098 -178.536 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.7 -38.32 80.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.44 -1.412 . . . . 0.0 108.98 179.543 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -69.33 -36.91 77.41 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.55 88.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.538 -0.726 . . . . 0.0 111.091 -178.894 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.9 mtt -65.1 -39.96 93.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.025 -1.047 . . . . 0.0 109.16 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.66 -38.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.28 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.76 -0.587 . . . . 0.0 111.295 -178.561 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.616 -1.303 . . . . 0.0 108.222 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.54 -39.12 78.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.754 -0.591 . . . . 0.0 110.356 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 57.9 t0 -59.98 -45.85 91.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.092 -1.005 . . . . 0.0 111.545 -177.913 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -36.53 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.091 -1.006 . . . . 0.0 110.126 -178.54 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.8 -40.01 65.96 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.14 -22.84 57.89 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 111.505 -179.201 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.937 -1.102 . . . . 0.0 111.404 -177.261 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.403 ' CE1' HD12 ' A' ' 35' ' ' LEU . 15.6 p90 -119.08 -23.16 6.93 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 121.163 -0.961 . . . . 0.0 111.353 -179.162 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.43 -43.32 77.4 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.645 -1.285 . . . . 0.0 110.138 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -3.54 65.18 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.618 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 20' ' ' ARG . 18.8 ttt-85 -59.94 -44.92 94.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -1.082 . . . . 0.0 109.945 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.2 tp10 -114.3 158.89 20.83 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.617 -0.677 . . . . 0.0 109.544 -179.221 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -40.95 -20.01 0.03 OUTLIER Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.429 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m-20 -71.73 46.82 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.934 -1.333 . . . . 0.0 109.116 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' GLY . 76.6 tttt -70.83 -45.3 64.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.935 -1.103 . . . . 0.0 110.342 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -77.62 -20.1 54.43 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.272 -0.893 . . . . 0.0 110.984 -178.281 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' O ' ' O ' ' A' ' 23' ' ' ASP . 26.0 pttm -134.62 159.7 40.42 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.184 -0.948 . . . . 0.0 108.494 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -112.48 130.17 56.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.201 -0.937 . . . . 0.0 108.883 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.7 tttm -103.68 145.45 30.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.117 -0.99 . . . . 0.0 109.189 -179.493 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LYS . 49.1 pttt -40.59 -23.41 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.802 0.811 . . . . 0.0 109.366 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.12 -50.57 32.11 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.977 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.12 -32.94 72.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.012 -1.055 . . . . 0.0 108.856 179.426 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.0 -40.23 88.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.261 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.46 -38.51 90.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.641 -0.662 . . . . 0.0 109.404 179.09 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.02 -39.9 93.84 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.0 110.245 -178.378 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -69.67 -44.93 69.49 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 120.342 -1.474 . . . . 0.0 108.941 -179.863 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' N ' HD23 ' A' ' 35' ' ' LEU . 66.0 mt -70.79 -42.61 77.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 120.873 -1.142 . . . . 0.0 111.318 -177.611 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -82.15 -33.43 29.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.518 -1.364 . . . . 0.0 112.032 -177.797 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -99.7 -36.13 9.58 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.311 -0.868 . . . . 0.0 113.133 -177.201 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.62 -21.18 22.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.372 -1.455 . . . . 0.0 110.165 -177.724 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -115.4 58.14 0.73 Allowed 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -60.07 -40.5 89.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.383 -0.823 . . . . 0.0 111.09 -178.363 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -135.52 -14.2 1.95 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.055 -1.028 . . . . 0.0 110.562 -179.421 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 t80 -66.95 -38.62 86.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.841 -1.162 . . . . 0.0 109.145 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -127.06 162.17 26.7 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.254 -0.904 . . . . 0.0 108.591 179.734 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 6.4 pt-20 -54.97 109.23 0.49 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.059 -1.026 . . . . 0.0 109.53 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.87 140.23 57.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.088 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mm -86.79 136.67 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.048 -1.033 . . . . 0.0 108.969 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -108.15 -27.4 10.1 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.354 -0.841 . . . . 0.0 109.145 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -120.96 139.99 52.49 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.636 -0.665 . . . . 0.0 109.849 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.36 -21.0 66.23 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.063 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.6 pt-20 -58.4 -39.45 79.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 109.473 -178.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 82.5 t -60.04 -36.1 65.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.487 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.53 -35.78 71.84 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.793 -179.401 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.46 -37.37 84.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.3 -39.99 81.86 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.78 -32.89 60.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.609 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.3 mmm -70.19 -28.64 65.47 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.224 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.9 -39.95 83.02 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.057 -1.652 . . . . 0.0 106.961 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 m -83.82 -40.02 19.24 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.762 -0.586 . . . . 0.0 110.826 179.235 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 76' ' ' PHE . 42.8 tp -86.75 -18.75 30.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.3 -177.553 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.6 t0 -81.09 63.49 5.47 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 177.922 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -57.86 -39.93 78.96 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -69.98 -16.75 63.23 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.891 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.19 74.6 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 27.6 p-10 -107.12 8.75 30.34 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.274 -1.133 . . . . 0.0 110.264 -179.533 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 5.65 87.57 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 78.6 mt-10 -139.5 148.79 43.15 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 13.0 p -115.29 131.05 57.05 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.81 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' PHE . 95.6 m-20 -71.63 160.01 33.4 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.356 -0.84 . . . . 0.0 109.41 -178.84 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.5 t80 -47.65 -39.1 16.26 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.042 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.9 -50.99 71.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.62 -0.675 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 60' ' ' LEU . 88.3 mt-10 -61.61 -41.3 97.27 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.084 -1.01 . . . . 0.0 110.409 -178.502 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 47.5 t80 -60.0 -38.54 82.94 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.387 -0.821 . . . . 0.0 110.066 179.274 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.9 mmm -59.92 -37.99 81.06 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.739 -0.601 . . . . 0.0 110.871 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.81 76.27 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.558 -1.257 . . . . 0.0 110.702 -178.628 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 60' ' ' LEU . 73.4 t80 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.089 -1.007 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -61.11 -39.23 81.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-O 121.507 0.67 . . . . 0.0 109.523 -179.748 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -61.88 -40.93 97.08 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.57 -0.706 . . . . 0.0 110.465 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 mtm -70.41 -43.81 69.23 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.541 -178.788 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.01 -39.86 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.192 -0.943 . . . . 0.0 110.32 -178.4 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.02 -40.01 87.85 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -51.52 -38.53 54.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.751 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.55 87.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.325 -0.86 . . . . 0.0 108.907 178.674 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 88' ' ' PHE . 25.3 t -59.95 -38.61 82.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 109.801 -179.66 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.35 -39.59 83.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.887 -1.133 . . . . 0.0 109.057 -179.527 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -37.81 80.84 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.86 -23.96 20.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.197 -0.94 . . . . 0.0 109.186 179.766 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -90.27 64.68 6.1 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -80.01 102.94 9.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 108.485 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -60.02 -39.54 86.19 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 55.6 mp0 . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.599 -0.688 . . . . 0.0 . 179.371 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 8.5 ptm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t 61.89 19.36 10.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.556 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.71 -7.33 55.13 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.727 0.775 . . . . 0.0 109.126 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.4 HD23 ' C ' ' B' ' 3' ' ' LEU . 1.3 tt -50.11 -21.69 1.38 Allowed 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.737 -0.602 . . . . 0.0 110.238 -178.562 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.81 -38.62 80.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.453 -1.405 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -69.0 -37.03 78.49 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.882 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.24 87.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.518 -0.739 . . . . 0.0 111.145 -178.898 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.1 mtt -65.38 -39.97 92.9 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.975 -1.078 . . . . 0.0 109.127 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.0 t -64.61 -38.21 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.35 -179.531 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.18 85.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.76 -0.588 . . . . 0.0 111.334 -178.555 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.92 -39.94 87.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.619 -1.301 . . . . 0.0 108.244 -179.311 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.8 -38.98 77.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.672 -0.643 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.04 -45.91 91.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.106 -0.996 . . . . 0.0 111.456 -177.899 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -36.49 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.048 -1.033 . . . . 0.0 110.148 -178.576 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.01 -40.0 66.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.153 -0.967 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.11 -22.91 57.92 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 111.534 -179.231 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.863 -1.148 . . . . 0.0 111.421 -177.29 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.413 ' CE1' HD12 ' B' ' 35' ' ' LEU . 15.9 p90 -118.91 -23.12 7.04 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.127 -0.983 . . . . 0.0 111.352 -179.128 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -68.45 -43.63 76.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.687 -1.258 . . . . 0.0 110.146 -179.439 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.75 -3.52 63.68 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' B' ' 20' ' ' ARG . 19.1 ttt-85 -60.06 -44.84 94.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -1.081 . . . . 0.0 110.019 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.3 tp10 -114.28 158.87 20.84 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.595 -0.691 . . . . 0.0 109.525 -179.284 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -41.01 -19.99 0.03 OUTLIER Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.435 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 21' ' ' GLU . 83.7 m-20 -71.76 47.23 0.13 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.858 -1.377 . . . . 0.0 109.031 -179.815 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' GLY . 76.3 tttt -71.19 -45.11 64.09 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -77.61 -20.37 54.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.207 -0.933 . . . . 0.0 111.025 -178.328 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.0 pttm -134.33 159.79 39.93 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.137 -0.977 . . . . 0.0 108.37 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -112.44 130.3 56.03 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 108.816 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.2 tttm -103.83 145.19 30.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.139 -0.976 . . . . 0.0 109.251 -179.518 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 47.5 pttt -40.4 -23.48 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.783 0.801 . . . . 0.0 109.454 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -70.88 -50.75 31.74 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.954 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.94 -33.22 73.37 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 108.84 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.95 -40.03 87.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.332 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.54 -38.48 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.572 -0.705 . . . . 0.0 109.29 179.136 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.98 -39.99 94.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.312 -0.868 . . . . 0.0 110.276 -178.323 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -69.51 -45.07 69.74 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 120.452 -1.405 . . . . 0.0 108.935 -179.914 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.405 ' N ' HD23 ' B' ' 35' ' ' LEU . 67.2 mt -70.73 -42.71 77.67 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 120.94 -1.1 . . . . 0.0 111.436 -177.548 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -82.15 -33.39 29.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.541 -1.349 . . . . 0.0 112.012 -177.786 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -99.68 -35.99 9.64 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 121.34 -0.85 . . . . 0.0 113.21 -177.245 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -89.77 -21.17 22.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.433 -1.417 . . . . 0.0 110.177 -177.738 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.5 mt -115.39 58.25 0.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -40.48 89.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.398 -0.813 . . . . 0.0 111.092 -178.388 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -135.71 -14.3 1.9 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.036 -1.04 . . . . 0.0 110.54 -179.335 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 2.5 t80 -66.87 -38.68 86.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.88 -1.138 . . . . 0.0 109.134 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -126.86 162.42 25.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.177 -0.952 . . . . 0.0 108.581 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 6.3 pt-20 -55.41 109.33 0.53 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.974 -1.079 . . . . 0.0 109.49 -179.48 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.86 140.3 57.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 109.14 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -86.91 136.46 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 108.928 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -108.09 -27.04 10.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.388 -0.82 . . . . 0.0 109.168 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.26 139.98 52.67 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.574 -0.704 . . . . 0.0 109.874 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.36 -21.27 66.24 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.0 pt-20 -58.2 -39.58 79.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.159 -0.963 . . . . 0.0 109.46 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.409 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 78.2 t -60.02 -36.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.149 -0.97 . . . . 0.0 108.524 179.496 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.2 t -68.62 -35.75 71.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 120.009 -0.677 . . . . 0.0 109.761 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.4 -37.36 85.06 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.296 -0.878 . . . . 0.0 109.718 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -68.25 -40.03 82.06 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 t -65.91 -32.78 59.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.628 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.4 mmm -70.23 -28.69 65.45 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.182 179.39 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -58.69 -40.02 82.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.085 -1.634 . . . . 0.0 107.044 178.644 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.9 m -83.87 -40.0 19.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.826 -0.546 . . . . 0.0 110.873 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' B' ' 76' ' ' PHE . 43.0 tp -86.77 -18.77 30.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.116 -0.99 . . . . 0.0 110.264 -177.506 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' B' ' 57' ' ' MET . 51.7 t0 -80.97 63.57 5.4 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.886 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -57.92 -39.99 79.31 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -178.545 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.6 30.17 74.62 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.523 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 27.2 p-10 -107.25 8.82 30.11 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.233 -1.157 . . . . 0.0 110.308 -179.513 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.24 5.67 87.49 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.438 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 78.9 mt-10 -139.37 148.87 43.46 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.599 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.7 p -115.4 130.82 57.01 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.808 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 70' ' ' PHE . 95.4 m-20 -71.39 159.98 33.58 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 -178.845 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 69' ' ' ASP . 4.6 t80 -47.71 -38.82 16.0 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.37 -50.56 72.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.644 -0.66 . . . . 0.0 109.967 178.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.431 ' O ' HD11 ' B' ' 60' ' ' LEU . 88.3 mt-10 -61.8 -41.2 97.44 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.111 -0.993 . . . . 0.0 110.405 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 48.4 t80 -60.15 -38.48 83.25 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.344 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.94 -38.34 82.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.763 -0.585 . . . . 0.0 110.755 -177.58 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.67 76.42 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.493 -1.283 . . . . 0.0 110.752 -178.349 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.454 ' HB2' HD13 ' B' ' 60' ' ' LEU . 73.6 t80 -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.608 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.447 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -61.09 -39.1 81.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 121.471 0.653 . . . . 0.0 109.554 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -61.95 -40.95 97.3 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.614 -0.679 . . . . 0.0 110.403 -178.381 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.3 mtm -70.46 -44.06 68.55 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.04 -39.58 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.288 -178.405 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -39.97 87.61 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -51.65 -38.45 54.86 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.52 87.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 108.949 178.689 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 88' ' ' PHE . 24.8 t -60.06 -38.53 83.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.432 -0.793 . . . . 0.0 109.828 -179.643 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.43 -39.5 83.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.914 -1.116 . . . . 0.0 109.117 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -37.81 80.79 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.062 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -90.77 -24.03 20.47 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.175 -0.953 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.0 OUTLIER -90.28 64.62 6.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.541 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.93 102.81 9.41 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 108.542 179.858 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -59.92 -39.62 86.07 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' B' ' 91' ' ' GLU . 55.5 mp0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.597 -0.689 . . . . 0.0 . 179.364 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' X' X ' 93' ' ' HIS . . . . . 0.597 ' CG ' ' H ' ' X' ' 94' ' ' LEU . 15.3 t-80 48.79 -139.3 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 0.0 109.382 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.597 ' H ' ' CG ' ' X' ' 93' ' ' HIS . 9.6 mp 54.06 49.48 18.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.216 -0.927 . . . . 0.0 109.018 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.54 129.19 47.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t -146.68 103.46 3.65 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.017 -1.052 . . . . 0.0 109.536 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.82 -42.59 97.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -63.07 -39.08 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.245 -0.909 . . . . 0.0 110.161 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.19 117.51 4.69 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.728 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -138.74 150.24 45.92 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.369 -1.077 . . . . 0.0 109.505 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 90.0 p -66.81 -24.89 66.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.794 . . . . 0.0 109.312 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.55 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 6.5 t -46.17 -25.04 0.53 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.639 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 79.7 p -60.03 -28.53 67.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.015 -1.053 . . . . 0.0 109.814 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER -59.94 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.259 -0.9 . . . . 0.0 110.376 -179.494 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.8 OUTLIER -58.85 -34.75 71.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.683 -1.261 . . . . 0.0 109.53 -178.976 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 86.1 tttt -59.96 -37.69 80.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.062 -1.024 . . . . 0.0 108.261 179.005 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.64 -40.01 68.56 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 108.59 -179.601 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.03 -27.02 60.74 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.46 -0.775 . . . . 0.0 110.296 179.423 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.421 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.4 mmt -53.8 -24.51 15.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.664 -1.273 . . . . 0.0 109.385 -179.056 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.8 p90 -42.18 -37.01 1.33 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.323 -0.861 . . . . 0.0 110.173 -178.906 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' X' ' 110' ' ' PHE . 4.7 mtmp? -79.56 -37.56 36.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.849 -1.157 . . . . 0.0 109.479 177.802 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 76.8 p -59.28 -31.14 68.84 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' X' X ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 73.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.428 -0.795 . . . . 0.0 . 178.803 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . 0.61 ' CG ' ' H ' ' Y' ' 94' ' ' LEU . 16.2 t-80 48.94 -139.2 0.8 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.61 ' H ' ' CG ' ' Y' ' 93' ' ' HIS . 9.6 mp 53.98 49.49 18.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.145 -0.972 . . . . 0.0 109.037 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.52 129.27 47.55 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.341 -0.849 . . . . 0.0 109.023 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 16.8 t -146.7 103.05 3.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.053 -1.029 . . . . 0.0 109.6 179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.35 -42.91 96.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.788 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -63.03 -39.12 93.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.897 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.02 117.28 4.65 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.722 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.59 150.56 46.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.408 -1.054 . . . . 0.0 109.544 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 87.7 p -67.05 -24.92 66.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.373 -0.829 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 6.8 t -46.15 -25.05 0.53 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.353 -0.842 . . . . 0.0 109.615 -179.716 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 79.5 p -59.99 -28.5 67.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -0.994 . . . . 0.0 109.814 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.499 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -59.92 -40.0 87.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.244 -0.91 . . . . 0.0 110.403 -179.485 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.647 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.7 OUTLIER -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.72 -1.238 . . . . 0.0 109.508 -178.961 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.647 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.97 -38.2 81.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.34 -40.03 67.65 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.496 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.22 -26.56 60.32 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 179.406 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 16.1 mmt -54.19 -24.5 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.517 -1.364 . . . . 0.0 109.389 -179.218 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.483 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.8 p90 -42.08 -36.98 1.28 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.408 -0.808 . . . . 0.0 110.239 -178.925 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.483 ' HG3' ' CZ ' ' Y' ' 110' ' ' PHE . 4.5 mtmp? -79.69 -37.2 36.3 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.778 -1.201 . . . . 0.0 109.526 177.815 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . 0.403 ' N ' ' O ' ' Y' ' 109' ' ' MET . 82.0 p -59.97 -30.15 68.9 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.776 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 73.3 mm-40 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.456 -0.777 . . . . 0.0 . 178.726 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.466 ' C ' ' N ' ' A' ' 2' ' ' GLU . 78.6 mtm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p 51.21 14.63 0.23 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.214 -0.929 . . . . 0.0 108.858 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 0' ' ' MET . 82.8 tt0 -70.03 -1.47 9.9 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.833 0.825 . . . . 0.0 109.153 179.614 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.0 -36.53 77.39 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.29 -0.881 . . . . 0.0 112.34 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.91 -39.99 87.3 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.451 -1.405 . . . . 0.0 109.61 -178.486 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.345 -0.847 . . . . 0.0 109.763 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.91 83.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 0.0 110.801 -178.75 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -62.45 -40.01 95.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 109.438 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.03 -38.76 82.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.0 94.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.875 -0.515 . . . . 0.0 111.724 -178.366 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.07 -40.0 87.99 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.567 -1.333 . . . . 0.0 108.486 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.73 -38.81 79.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.723 -0.61 . . . . 0.0 110.522 -179.298 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.99 -40.01 94.32 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.653 -1.279 . . . . 0.0 110.611 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -38.84 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.286 -0.884 . . . . 0.0 109.149 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.443 ' O ' ' OG ' ' A' ' 18' ' ' SER . 58.9 t80 -51.56 -39.99 58.89 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.918 -1.114 . . . . 0.0 108.577 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -80.03 -22.18 42.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 0.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -52.7 -48.28 66.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.898 -1.126 . . . . 0.0 110.402 -178.313 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.779 ' OH ' HD12 ' A' ' 35' ' ' LEU . 20.8 p90 -111.19 -25.64 9.61 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.418 -0.801 . . . . 0.0 111.806 -178.434 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 57.5 m -60.03 -39.97 87.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.519 -1.363 . . . . 0.0 109.953 -178.404 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -2.37 77.85 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 69.2 ttt180 -59.96 -49.71 76.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.18 -1.188 . . . . 0.0 109.772 -179.664 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.01 -76.03 0.42 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.116 -0.99 . . . . 0.0 109.791 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.36 -22.25 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.298 -1.43 . . . . 0.0 110.696 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 26' ' ' LYS . 62.5 m-20 -77.75 70.19 4.09 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.594 -1.533 . . . . 0.0 108.896 -179.842 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.71 -40.54 95.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.917 -179.676 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -90.03 -0.25 57.49 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.979 -1.075 . . . . 0.0 111.368 -178.316 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' ASP . 25.8 ttmt -149.25 154.62 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.666 -1.271 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD21 ' OG ' ' A' ' 18' ' ' SER . 43.7 mt -117.43 137.94 52.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.505 -0.747 . . . . 0.0 109.52 179.853 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.1 ttmt -108.04 147.91 30.49 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.273 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.9 ttmp? -38.76 -25.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.696 0.76 . . . . 0.0 109.186 179.505 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LYS . 79.4 p -78.28 -46.88 19.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.279 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 98.0 mt-10 -69.96 -35.35 74.39 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.372 -0.83 . . . . 0.0 108.827 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.426 -0.797 . . . . 0.0 109.168 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 63.1 mm-40 -60.94 -36.34 79.08 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.779 HD12 ' OH ' ' A' ' 17' ' ' TYR . 3.1 tt -59.98 -52.89 63.47 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-O 122.557 1.17 . . . . 0.0 108.173 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.62 -45.97 27.99 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.221 -0.924 . . . . 0.0 112.762 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -73.06 -36.33 66.86 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.881 -1.137 . . . . 0.0 112.34 -176.864 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -97.05 -37.1 10.28 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.568 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.9 mt-10 -98.14 -20.94 17.01 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 120.411 -1.43 . . . . 0.0 111.796 -177.77 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 39' ' ' GLU . 7.0 mt -129.31 56.52 1.69 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.26 -0.9 . . . . 0.0 109.018 -179.697 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 44' ' ' LEU . 8.1 m -78.89 -67.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 109.917 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -78.49 -39.97 36.73 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.948 . . . . 0.0 110.63 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.2 -35.86 78.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.186 -0.946 . . . . 0.0 110.329 -178.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 34.4 tp -128.34 159.88 33.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.322 -0.861 . . . . 0.0 108.745 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.65 107.6 0.27 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.03 -1.044 . . . . 0.0 109.09 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.63 145.17 50.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.691 . . . . 0.0 109.276 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.592 HG21 HG23 ' A' ' 53' ' ' VAL . 39.5 mm -80.14 141.05 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 0.0 109.061 179.879 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -107.34 -21.93 12.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.533 -0.729 . . . . 0.0 109.288 -179.005 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.34 154.06 45.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.28 -0.888 . . . . 0.0 110.664 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -68.62 -22.51 64.43 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.1 -39.13 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.14 -0.975 . . . . 0.0 110.409 -179.486 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG21 ' NE2' ' X' ' 105' ' ' HIS . 63.0 t -61.26 -40.04 84.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.017 -1.052 . . . . 0.0 108.652 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.592 HG23 HG21 ' A' ' 47' ' ' ILE . 46.8 t -62.75 -39.87 86.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.447 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -60.08 -40.01 88.09 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.616 -0.677 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.92 -31.52 54.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.255 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.7 mmm -70.08 -27.2 64.43 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.422 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.25 -39.87 80.28 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 178.212 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.6 m -79.63 -40.89 28.19 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.666 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 76' ' ' PHE . 2.8 mp -88.93 -18.04 28.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.13 . . . . 0.0 110.155 -178.268 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.9 t0 -81.66 62.02 5.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.533 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.89 -34.56 73.34 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -79.29 -8.53 59.12 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.57 78.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.87 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.0 p-10 -106.86 2.24 25.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.234 -1.156 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 79.97 4.43 89.6 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.232 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 59.1 mt-10 -136.19 134.71 38.47 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.9 p -104.18 129.79 51.94 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.236 -0.915 . . . . 0.0 109.393 179.888 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.02 164.98 24.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.237 -0.915 . . . . 0.0 109.247 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.74 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.031 -1.043 . . . . 0.0 108.465 -179.073 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.51 -37.7 77.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.137 -0.977 . . . . 0.0 108.719 178.56 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 46.3 mt-10 -66.81 -40.03 87.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 0.0 109.027 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CE1' HD11 ' A' ' 35' ' ' LEU . 2.4 t80 -62.37 -35.64 79.78 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -36.53 77.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.387 0.613 . . . . 0.0 110.441 -178.007 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.73 76.28 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 118.841 -1.143 . . . . 0.0 110.748 -179.221 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.662 ' HB2' HD11 ' A' ' 60' ' ' LEU . 51.1 t80 -62.59 -39.23 93.06 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.088 -1.008 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -59.99 -38.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.284 0.564 . . . . 0.0 110.214 -178.511 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 p -65.14 -39.72 93.4 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.31 -0.869 . . . . 0.0 109.867 -178.882 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.2 mtp -69.84 -43.04 72.75 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.519 -0.738 . . . . 0.0 112.196 -177.872 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.12 -34.53 55.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 120.823 -1.173 . . . . 0.0 109.98 -178.603 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -62.09 -40.05 94.53 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.09 -39.44 72.13 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.13 86.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.523 -0.736 . . . . 0.0 109.293 178.552 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 88' ' ' PHE . 48.9 t -59.72 -37.86 80.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.495 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.001 -1.062 . . . . 0.0 108.411 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.97 -38.61 83.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.185 -0.947 . . . . 0.0 108.895 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -92.21 -24.45 19.03 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.268 -0.895 . . . . 0.0 111.017 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 4.2 t80 -94.4 23.38 5.24 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 109.168 -179.246 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -87.84 -95.75 0.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 108.834 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -83.16 -10.33 58.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.095 -1.003 . . . . 0.0 108.42 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.487 1.407 0 O-C-N 121.663 -0.648 . . . . 0.0 . -179.656 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.447 ' C ' ' N ' ' B' ' 2' ' ' GLU . 77.9 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.9 p 51.33 14.68 0.25 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.264 -0.897 . . . . 0.0 108.854 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' B' ' 0' ' ' MET . 81.7 tt0 -69.95 -1.63 10.21 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.838 0.828 . . . . 0.0 109.123 179.542 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.96 -36.54 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 112.312 -177.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.431 -1.418 . . . . 0.0 109.565 -178.537 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -64.36 -39.96 94.92 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.259 -0.901 . . . . 0.0 109.808 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -39.91 82.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 110.785 -178.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.8 mtt -62.2 -39.97 94.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.037 -1.039 . . . . 0.0 109.477 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.09 -38.86 82.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.769 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.05 94.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.83 -0.544 . . . . 0.0 111.708 -178.314 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.04 -40.06 88.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.666 -1.271 . . . . 0.0 108.474 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -68.91 -38.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.786 -0.571 . . . . 0.0 110.536 -179.247 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.29 -40.03 93.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.621 -1.3 . . . . 0.0 110.59 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -38.74 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.279 -0.888 . . . . 0.0 109.128 -179.431 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -51.55 -39.97 58.81 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.003 -1.061 . . . . 0.0 108.615 179.284 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -80.01 -22.28 42.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -52.66 -48.24 66.61 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.85 -1.156 . . . . 0.0 110.5 -178.371 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.767 ' OH ' HD12 ' B' ' 35' ' ' LEU . 20.7 p90 -111.19 -25.65 9.6 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.401 -0.812 . . . . 0.0 111.822 -178.511 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.443 ' OG ' HD21 ' B' ' 27' ' ' LEU . 56.4 m -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.487 -1.383 . . . . 0.0 109.971 -178.492 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -2.33 77.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 69.2 ttt180 -59.98 -49.62 76.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -1.153 . . . . 0.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.2 -76.12 0.42 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.155 -0.966 . . . . 0.0 109.766 -179.704 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.09 -22.45 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.349 -1.405 . . . . 0.0 110.712 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 61.1 m-20 -77.6 70.34 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.608 -1.525 . . . . 0.0 108.966 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.99 -40.52 95.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.443 -0.786 . . . . 0.0 110.732 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -90.08 -0.32 57.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.026 -1.046 . . . . 0.0 111.41 -178.29 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.3 ttmt -149.07 154.75 39.72 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.706 -1.246 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.443 HD21 ' OG ' ' B' ' 18' ' ' SER . 42.4 mt -117.53 137.95 52.22 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.566 -0.709 . . . . 0.0 109.519 179.811 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' SER . 33.0 ttmt -108.01 147.82 30.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' B' ' 28' ' ' LYS . 2.0 ttmp? -38.67 -25.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.695 0.76 . . . . 0.0 109.216 179.442 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 28' ' ' LYS . 78.7 p -78.3 -47.02 18.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.235 179.482 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mt-10 -69.94 -35.29 74.4 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.165 -0.96 . . . . 0.0 108.486 179.303 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.99 -40.1 88.02 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.684 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.02 -39.95 87.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.25 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.407 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 63.4 mm-40 -61.04 -36.28 79.13 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.526 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.767 HD12 ' OH ' ' B' ' 17' ' ' TYR . 3.1 tt -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 122.604 1.192 . . . . 0.0 108.189 179.406 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.58 -46.03 28.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.146 -0.971 . . . . 0.0 112.764 -177.571 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.22 -36.18 66.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.868 -1.145 . . . . 0.0 112.421 -176.79 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -97.17 -36.87 10.31 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.623 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.3 -21.27 16.74 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.382 -1.449 . . . . 0.0 111.721 -177.769 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.83 56.41 1.67 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 109.014 -179.606 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' O ' ' B' ' 44' ' ' LEU . 7.3 m -78.94 -67.0 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -78.55 -39.99 36.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.639 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.13 -35.97 78.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.205 -0.934 . . . . 0.0 110.272 -178.783 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 41' ' ' SER . 34.3 tp -128.19 159.79 34.1 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.224 -0.923 . . . . 0.0 108.792 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.51 107.65 0.27 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.981 -1.075 . . . . 0.0 109.147 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 145.08 50.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.565 -0.709 . . . . 0.0 109.3 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.572 HG21 HG23 ' B' ' 53' ' ' VAL . 41.5 mm -80.07 140.91 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 109.139 179.847 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -107.22 -22.04 12.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.568 -0.708 . . . . 0.0 109.313 -179.002 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.36 154.17 45.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.211 -0.931 . . . . 0.0 110.69 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -68.65 -22.59 64.4 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.045 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -65.0 -39.15 93.03 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.103 -0.998 . . . . 0.0 110.326 -179.468 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.41 HG21 ' NE2' ' Y' ' 105' ' ' HIS . 65.9 t -61.17 -40.0 84.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.999 -1.063 . . . . 0.0 108.659 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.572 HG23 HG21 ' B' ' 47' ' ' ILE . 44.6 t -62.86 -39.96 86.99 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.525 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 61.5 t0 -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.619 -0.675 . . . . 0.0 109.557 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.9 -40.23 96.92 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.77 -31.59 54.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.545 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.2 mmm -70.0 -27.28 64.57 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.489 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.17 -40.01 80.35 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.321 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -79.58 -40.74 28.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.704 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' B' ' 76' ' ' PHE . 2.6 mp -89.0 -18.1 28.05 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.294 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.4 t0 -81.62 61.88 5.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.619 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -59.97 -34.38 73.2 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.519 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.36 -8.45 59.09 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.507 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.81 31.63 78.91 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.07 2.27 24.87 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.265 -1.138 . . . . 0.0 110.431 -179.178 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.71 4.69 89.45 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.411 -1.875 . . . . 0.0 108.411 -179.152 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.5 mt-10 -136.1 134.46 38.39 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.5 p -104.08 129.55 51.74 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.259 -0.9 . . . . 0.0 109.385 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -70.92 164.95 24.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.224 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.67 66.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.999 -1.063 . . . . 0.0 108.53 -179.076 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.44 -37.82 77.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 108.674 178.558 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 46.5 mt-10 -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.062 -1.024 . . . . 0.0 109.129 179.598 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' B' ' 35' ' ' LEU . 2.4 t80 -62.59 -35.51 79.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.334 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -36.24 76.89 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.386 0.612 . . . . 0.0 110.434 -178.079 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.7 -34.43 75.65 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.821 -1.174 . . . . 0.0 110.807 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.666 ' HB2' HD11 ' B' ' 60' ' ' LEU . 50.5 t80 -62.92 -39.0 93.21 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.123 -0.986 . . . . 0.0 110.214 -179.55 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.419 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -60.05 -38.99 79.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-O 121.264 0.554 . . . . 0.0 110.116 -178.598 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 11.7 p -65.03 -39.89 94.01 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 -178.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 42.4 mtp -69.78 -42.75 73.39 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.73 . . . . 0.0 112.13 -177.752 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.61 -34.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.828 -1.17 . . . . 0.0 109.944 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -40.02 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -39.44 72.04 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.59 87.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.595 -0.691 . . . . 0.0 109.337 178.518 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' B' ' 88' ' ' PHE . 42.8 t -59.61 -37.64 79.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.479 -0.763 . . . . 0.0 109.517 -179.141 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.984 -1.073 . . . . 0.0 108.439 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.94 -38.68 83.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -92.01 -24.8 19.1 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.299 -0.876 . . . . 0.0 110.969 -179.012 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 4.2 t80 -94.31 23.52 5.09 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.026 -1.046 . . . . 0.0 109.191 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -87.88 -95.7 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -83.37 -10.12 58.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.106 -0.996 . . . . 0.0 108.333 178.837 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.487 1.391 0 O-C-N 121.654 -0.654 . . . . 0.0 . -179.681 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.251 0.548 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -144.19 152.99 41.63 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.25 -0.906 . . . . 0.0 109.213 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 59.6 tp -140.0 130.03 24.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 109.736 -179.795 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -140.52 42.01 1.88 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.075 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -142.52 166.42 24.73 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.861 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -52.83 141.87 20.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.131 -0.98 . . . . 0.0 109.976 -179.309 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -83.78 138.39 33.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.452 -0.78 . . . . 0.0 109.413 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.56 51.68 2.84 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.565 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -87.28 -174.76 5.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.023 -1.281 . . . . 0.0 109.892 179.592 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.445 ' O ' ' N ' ' X' ' 103' ' ' SER . 62.7 m -49.67 -24.87 2.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.4 ' C ' ' O ' ' X' ' 101' ' ' SER . 3.0 t -42.22 -25.01 0.06 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.424 -0.798 . . . . 0.0 110.357 -179.192 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.445 ' N ' ' O ' ' X' ' 101' ' ' SER . 32.0 t -60.13 -41.42 92.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.978 -1.076 . . . . 0.0 109.204 179.423 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -63.34 -40.03 96.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.239 -0.913 . . . . 0.0 109.282 179.336 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' X' ' 109' ' ' MET . 5.2 m-70 -59.98 -38.09 81.56 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 108.878 -179.363 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -58.76 -29.53 66.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 40.2 mtmt -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.907 -1.12 . . . . 0.0 108.173 179.37 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.54 ' O ' HD23 ' X' ' 108' ' ' LEU . 1.2 tt -73.75 -27.13 61.02 Favored 'General case' 0 N--CA 1.506 2.326 0 CA-C-O 121.94 0.876 . . . . 0.0 110.054 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.94 -24.7 64.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.561 -1.337 . . . . 0.0 110.357 -179.42 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -51.02 -32.37 21.29 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.4 -1.438 . . . . 0.0 110.004 -178.496 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.578 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 1.5 mmpt? -70.01 -40.06 75.47 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.343 -1.473 . . . . 0.0 107.859 177.435 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 68.8 p -60.89 -31.63 71.11 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.672 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.473 -0.767 . . . . 0.0 . 179.788 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -143.95 153.12 41.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.232 -0.917 . . . . 0.0 109.288 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.6 tp -139.95 130.02 24.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.29 -0.881 . . . . 0.0 109.769 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -140.59 42.04 1.87 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.115 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -142.65 166.35 24.89 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -52.84 141.93 20.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.96 -179.265 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -83.92 138.5 33.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.398 -0.814 . . . . 0.0 109.458 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.78 51.6 2.82 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.612 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.22 -174.91 5.09 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.026 -1.279 . . . . 0.0 109.86 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.442 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.7 m -49.6 -24.95 2.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.459 -0.776 . . . . 0.0 109.919 -179.273 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.413 ' C ' ' O ' ' Y' ' 101' ' ' SER . 3.0 t -42.17 -24.98 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.343 -179.237 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.442 ' N ' ' O ' ' Y' ' 101' ' ' SER . 28.2 t -59.97 -41.6 92.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.053 -1.029 . . . . 0.0 109.145 179.43 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.29 -40.05 96.28 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.989 0.899 . . . . 0.0 109.348 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.521 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 5.2 m-70 -60.0 -38.03 81.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.252 -0.905 . . . . 0.0 108.835 -179.38 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -58.93 -29.5 67.16 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.266 -0.896 . . . . 0.0 109.267 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 39.5 mtmt -59.97 -39.83 87.0 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.913 -1.117 . . . . 0.0 108.226 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.533 ' O ' HD23 ' Y' ' 108' ' ' LEU . 1.2 tt -74.01 -26.98 60.73 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 122.002 0.906 . . . . 0.0 110.037 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.0 -24.68 64.67 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.476 -1.39 . . . . 0.0 110.346 -179.448 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.615 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.5 OUTLIER -51.0 -32.47 21.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.371 -1.456 . . . . 0.0 109.928 -178.542 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.615 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 1.5 mmpt? -69.94 -40.64 75.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.293 -1.504 . . . . 0.0 107.783 177.437 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 65.1 p -59.97 -31.62 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.828 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 . -179.986 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t 53.24 23.09 2.97 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 109.104 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 4' ' ' GLU . 11.5 pt-20 -72.73 -7.97 53.12 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.663 0.744 . . . . 0.0 109.068 179.413 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 tp -42.89 -24.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.477 -0.765 . . . . 0.0 110.84 -178.31 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CZ ' ' B' ' 43' ' ' PHE . 51.3 tp10 -67.4 -40.0 85.59 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.821 -1.174 . . . . 0.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -77.18 -38.94 50.63 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.92 -1.112 . . . . 0.0 110.468 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -43.52 81.1 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 111.041 -178.159 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.7 mtt -61.08 -40.12 92.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.927 -1.108 . . . . 0.0 109.541 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.15 -39.1 84.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.87 88.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.873 -0.517 . . . . 0.0 111.43 -178.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.599 -1.313 . . . . 0.0 107.96 -179.405 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.59 -38.63 80.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 121.777 -0.577 . . . . 0.0 110.288 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -64.22 -40.43 96.04 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.913 -1.117 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.8 -39.33 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.222 -0.923 . . . . 0.0 109.35 -178.712 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -59.89 -40.01 87.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.558 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.55 -33.44 74.95 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.58 -0.7 . . . . 0.0 110.714 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.868 -1.145 . . . . 0.0 110.715 -178.008 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.8 m-85 -91.02 -29.29 17.45 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.668 -1.27 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.1 p -60.1 -40.16 88.67 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.884 -1.135 . . . . 0.0 109.789 -179.333 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.35 -4.45 86.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.1 ttt-85 -60.02 -46.34 89.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.061 -1.258 . . . . 0.0 109.198 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ASP . 98.3 mt-10 -115.6 159.33 21.43 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.609 -0.682 . . . . 0.0 109.321 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -15.12 0.22 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.8 m-20 -83.14 68.52 9.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.757 -1.437 . . . . 0.0 109.843 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.17 -39.93 78.45 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.266 -0.896 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.17 -14.55 59.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.996 -1.065 . . . . 0.0 111.605 -177.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' ASP . 20.7 pttp -146.65 165.2 30.28 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.703 -1.248 . . . . 0.0 110.232 -179.079 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 mt -113.15 135.26 54.01 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.681 -0.637 . . . . 0.0 109.577 -179.794 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.1 tttm -98.84 145.0 27.42 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.882 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 37.3 pttt -41.06 -25.09 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.001 0.905 . . . . 0.0 109.306 -179.182 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 28' ' ' LYS . 41.1 t -79.95 -47.8 14.42 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LYS . 75.3 tt0 -69.16 -35.42 76.3 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.528 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.97 -39.99 87.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.567 -0.708 . . . . 0.0 109.361 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 58.3 tttm -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.431 -0.793 . . . . 0.0 109.658 -179.485 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.159 -0.963 . . . . 0.0 108.817 -179.2 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 35' ' ' LEU . 7.1 tt -61.75 -48.96 78.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.06 -1.025 . . . . 0.0 109.177 178.679 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.54 -45.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.452 -0.78 . . . . 0.0 112.22 -177.893 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.476 HD22 ' HB ' ' A' ' 47' ' ' ILE . 1.7 m-80 -69.53 -40.03 77.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.8 -1.187 . . . . 0.0 112.427 -176.783 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.68 12.92 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.519 -0.738 . . . . 0.0 112.967 -176.553 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 16.4 tt0 -81.57 -9.65 59.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.201 -1.562 . . . . 0.0 108.87 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 mt -133.74 57.05 1.82 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.753 -0.592 . . . . 0.0 109.487 -179.401 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -60.02 -40.53 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.678 -178.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -133.14 -18.15 2.32 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.216 -0.928 . . . . 0.0 109.961 -179.756 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' OE1' ' B' ' 4' ' ' GLU . 2.6 t80 -62.08 -40.0 94.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.5 161.88 33.4 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -55.95 112.08 1.1 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.027 -1.046 . . . . 0.0 110.023 -179.359 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.1 139.98 57.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 108.793 179.218 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.545 HG21 HG23 ' A' ' 53' ' ' VAL . 40.9 mm -69.88 142.0 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.76 -1.212 . . . . 0.0 108.76 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -15.41 14.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.381 -0.824 . . . . 0.0 111.234 -178.442 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 85.9 tt0 -150.0 150.01 31.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.557 -1.339 . . . . 0.0 110.092 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 13.2 mm100 -60.05 -32.97 71.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.603 -0.686 . . . . 0.0 110.934 -179.207 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 20.9 pt-20 -59.98 -37.59 80.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 110.777 -177.974 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.1 -40.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.845 -1.159 . . . . 0.0 108.447 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.545 HG23 HG21 ' A' ' 47' ' ' ILE . 70.3 t -63.91 -38.87 83.51 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.06 -37.85 88.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.528 -0.733 . . . . 0.0 109.826 -179.381 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.9 -39.94 91.07 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.65 -33.05 60.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.272 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.98 -27.69 64.93 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.824 -1.798 . . . . 0.0 106.38 178.622 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.5 m -81.73 -39.87 23.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.73 -17.54 31.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -177.892 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 62.2 t0 -81.03 63.93 5.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 178.422 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -59.85 -39.76 86.3 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.491 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -84.95 -1.25 56.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.964 -1.085 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.6 34.77 90.83 Favored Glycine 0 N--CA 1.497 2.729 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.867 178.606 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.3 p-10 -104.7 1.22 29.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.003 -1.292 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.544 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.44 7.79 85.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 -179.398 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.4 mt-10 -137.53 138.55 39.76 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 15.8 p -102.29 128.88 48.64 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.063 -1.023 . . . . 0.0 108.953 179.417 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -80.0 169.95 17.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 -178.718 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.06 -39.75 82.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.923 . . . . 0.0 110.202 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 89.4 mt-10 -69.07 -40.03 78.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.525 -1.359 . . . . 0.0 109.562 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' CE2' HG22 ' A' ' 77' ' ' VAL . 56.1 t80 -70.03 -25.01 63.37 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 108.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.03 -39.69 86.75 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.031 0.919 . . . . 0.0 108.64 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.24 76.44 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.008 -179.433 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 60' ' ' LEU . 91.9 t80 -60.06 -39.95 87.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.165 -0.959 . . . . 0.0 110.427 179.734 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -60.03 -37.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 O-C-N 121.346 -0.847 . . . . 0.0 109.738 -178.912 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -40.27 84.77 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.174 -1.011 . . . . 0.0 109.025 -179.766 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 91.7 mtp -60.37 -46.91 88.28 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.561 -0.712 . . . . 0.0 112.206 -179.457 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 76' ' ' PHE . 5.8 t -73.83 -28.39 24.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 120.937 -1.102 . . . . 0.0 110.387 -178.286 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.24 -39.95 88.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 108.572 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -39.92 85.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.54 72.17 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.815 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.03 -37.67 80.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.675 -0.641 . . . . 0.0 109.601 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.092 -1.005 . . . . 0.0 109.209 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -69.57 -29.14 66.63 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.368 179.672 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -86.76 -24.79 24.96 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.684 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.42 66.62 3.94 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -80.8 99.17 8.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -82.4 95.14 7.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 0.0 108.748 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 . -179.612 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.5 ptm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.4 t 53.1 23.25 2.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' GLU . 11.1 pt-20 -72.95 -7.81 52.77 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.702 0.763 . . . . 0.0 108.977 179.371 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.7 tp -42.74 -24.64 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 110.746 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.524 ' OE1' ' CZ ' ' A' ' 43' ' ' PHE . 51.6 tp10 -67.29 -39.93 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.789 -1.194 . . . . 0.0 110.347 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -77.17 -39.54 48.62 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.907 -1.12 . . . . 0.0 110.354 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.94 83.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 111.036 -178.235 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 28.0 mtt -60.94 -40.03 91.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.843 -1.16 . . . . 0.0 109.635 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.97 -38.99 83.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.828 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.63 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.797 -0.565 . . . . 0.0 111.409 -178.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.97 -40.0 87.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.593 -1.317 . . . . 0.0 107.908 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.61 -38.53 80.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.722 -0.611 . . . . 0.0 110.273 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.24 -40.35 95.84 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.905 -1.122 . . . . 0.0 111.242 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -39.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.304 -0.872 . . . . 0.0 109.33 -178.761 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.02 -39.99 87.77 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -62.62 -33.45 75.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.575 -0.703 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.928 -1.107 . . . . 0.0 110.739 -177.915 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.435 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 52.3 m-85 -91.13 -29.21 17.41 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.696 -1.253 . . . . 0.0 111.578 -179.147 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -60.06 -40.14 88.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.9 -1.125 . . . . 0.0 109.718 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.37 -4.49 87.04 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.06 -1.259 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -115.37 159.55 20.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.742 . . . . 0.0 109.416 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.61 -15.29 0.28 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.252 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.6 m-20 -83.05 68.67 9.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.794 -1.415 . . . . 0.0 109.884 -179.491 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -69.24 -39.93 78.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.15 -14.55 59.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.057 -1.027 . . . . 0.0 111.543 -177.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -146.66 165.21 30.25 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.618 -1.301 . . . . 0.0 110.228 -179.122 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -113.02 135.3 53.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.783 -0.573 . . . . 0.0 109.561 -179.78 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' B' ' 30' ' ' SER . 54.9 tttm -98.81 145.76 26.62 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.891 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 36.7 pttt -41.87 -25.31 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.067 0.936 . . . . 0.0 109.224 -179.028 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.8 t -79.73 -47.65 14.94 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.464 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 77.7 tt0 -69.36 -35.26 75.67 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.607 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.198 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.456 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 58.6 tttm -59.9 -40.04 87.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.452 -0.78 . . . . 0.0 109.666 -179.489 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.02 -40.0 87.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.232 -0.918 . . . . 0.0 108.854 -179.221 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.704 ' C ' HD23 ' B' ' 35' ' ' LEU . 7.2 tt -61.79 -48.8 78.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.068 -1.02 . . . . 0.0 109.186 178.67 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.75 -45.38 57.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.452 -0.78 . . . . 0.0 112.122 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.473 HD21 ' N ' ' B' ' 37' ' ' ASN . 1.7 m-80 -69.57 -39.99 77.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.783 -1.198 . . . . 0.0 112.341 -176.768 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.76 12.88 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.468 -0.77 . . . . 0.0 112.97 -176.574 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 16.4 tt0 -81.48 -9.65 59.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.158 -1.588 . . . . 0.0 108.888 -178.553 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.0 mt -133.79 57.0 1.82 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.282 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.0 p -60.02 -40.77 90.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.936 -1.103 . . . . 0.0 110.557 -179.011 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -132.9 -18.0 2.4 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.169 -0.957 . . . . 0.0 110.055 -179.787 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.53 ' CZ ' ' OE1' ' A' ' 4' ' ' GLU . 2.5 t80 -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.032 . . . . 0.0 109.415 -179.772 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.37 161.78 33.61 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.248 -0.908 . . . . 0.0 108.56 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.96 111.7 1.0 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.213 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.72 139.99 57.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 0.0 108.858 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.53 HG21 HG23 ' B' ' 53' ' ' VAL . 40.6 mm -69.9 141.93 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.731 -1.231 . . . . 0.0 108.841 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -15.81 14.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.446 -0.784 . . . . 0.0 111.297 -178.453 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.437 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 85.8 tt0 -149.96 150.25 31.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.564 -1.335 . . . . 0.0 110.048 -179.551 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.456 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.3 mm100 -60.05 -33.19 71.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.58 -0.7 . . . . 0.0 110.982 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 20.7 pt-20 -60.03 -37.29 79.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 0.0 110.757 -177.87 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.19 -40.02 82.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 120.843 -1.16 . . . . 0.0 108.573 -179.837 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.53 HG23 HG21 ' B' ' 47' ' ' ILE . 66.8 t -64.09 -38.76 83.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.475 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.81 -38.32 90.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.561 -0.712 . . . . 0.0 109.871 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.71 -40.01 91.8 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.45 -33.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.297 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -70.02 -27.58 64.79 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.592 -179.939 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 119.814 -1.804 . . . . 0.0 106.398 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.0 m -81.65 -39.98 23.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.907 -0.495 . . . . 0.0 110.632 178.753 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.76 -17.55 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.166 -0.959 . . . . 0.0 110.594 -177.658 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 62.0 t0 -80.96 63.86 5.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 178.371 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.74 -39.99 86.58 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.452 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 47.4 p-10 -84.68 -1.06 55.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.997 -1.065 . . . . 0.0 109.511 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.18 34.74 90.77 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 120.099 -1.048 . . . . 0.0 111.031 178.641 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.2 p-10 -104.48 1.17 29.65 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.043 -1.269 . . . . 0.0 109.655 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.539 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.48 7.89 85.58 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.408 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.6 mt-10 -137.47 138.31 39.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.903 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 15.6 p -102.12 128.74 48.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.049 -1.032 . . . . 0.0 108.982 179.386 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -80.03 170.0 17.07 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.473 -0.767 . . . . 0.0 110.43 -178.742 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -54.16 -39.99 67.05 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.796 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.23 -39.37 82.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.288 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.7 mt-10 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.524 -1.36 . . . . 0.0 109.518 -179.823 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.421 ' O ' HG23 ' B' ' 77' ' ' VAL . 55.4 t80 -70.0 -25.01 63.4 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.147 -0.971 . . . . 0.0 108.449 179.354 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.01 -39.71 86.72 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.052 0.929 . . . . 0.0 108.656 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.33 76.82 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.042 -1.036 . . . . 0.0 110.151 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HB2' HD11 ' B' ' 60' ' ' LEU . 91.5 t80 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.092 -1.005 . . . . 0.0 110.492 179.75 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.46 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -59.97 -37.68 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.452 -0.78 . . . . 0.0 109.754 -178.881 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.07 84.2 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.033 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.9 mtp -60.28 -47.1 87.47 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.595 -0.691 . . . . 0.0 112.241 -179.487 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' B' ' 76' ' ' PHE . 7.4 t -73.69 -28.72 25.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 120.958 -1.089 . . . . 0.0 110.36 -178.342 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.122 -0.986 . . . . 0.0 108.564 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -40.05 85.93 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.758 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.57 72.11 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.02 -37.82 80.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.658 -0.651 . . . . 0.0 109.673 179.496 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -60.04 -39.93 87.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.232 -179.606 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.51 -29.36 66.97 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.272 -0.893 . . . . 0.0 109.395 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -86.58 -24.83 25.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 108.56 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.35 66.47 3.96 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.367 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -80.42 98.83 7.68 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.173 -0.954 . . . . 0.0 109.199 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -82.34 95.31 7.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.341 -0.849 . . . . 0.0 . -179.538 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -100.04 121.27 41.11 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 109.378 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.15 129.98 34.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.491 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -60.65 -39.98 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.913 . . . . 0.0 109.351 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 7.3 t 59.86 40.05 19.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 109.387 -179.712 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -79.1 130.07 35.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.396 -0.815 . . . . 0.0 109.163 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.09 146.4 24.32 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.571 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.29 34.5 5.83 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -75.49 147.96 39.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -1.164 . . . . 0.0 109.722 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.455 ' O ' ' N ' ' X' ' 103' ' ' SER . 24.0 m -62.12 -25.37 67.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.227 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.402 ' C ' ' O ' ' X' ' 101' ' ' SER . 6.8 t -43.36 -24.52 0.1 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.725 . . . . 0.0 109.095 179.664 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.455 ' N ' ' O ' ' X' ' 101' ' ' SER . 47.4 t -56.91 -39.15 73.91 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.71 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.843 -1.161 . . . . 0.0 108.842 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.587 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 36.1 t-80 -60.09 -37.83 81.12 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.019 -1.051 . . . . 0.0 108.398 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -57.4 -32.28 66.69 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 31.2 mtmm -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.666 -1.271 . . . . 0.0 108.818 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' X' X ' 108' ' ' LEU . . . . . 0.63 ' O ' HD23 ' X' ' 108' ' ' LEU . 1.4 tt -69.97 -29.29 66.36 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.148 -0.97 . . . . 0.0 109.309 179.664 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -61.71 -24.62 66.9 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.545 -1.347 . . . . 0.0 109.734 179.595 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -50.84 -26.13 5.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.585 -1.322 . . . . 0.0 108.263 -179.781 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.566 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.4 tppt? -76.77 -40.05 49.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.707 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 47.8 p -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.632 179.651 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.528 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -99.99 121.28 41.11 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.36 -0.838 . . . . 0.0 109.444 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 64.4 mt -81.35 130.31 34.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.0 109.499 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -60.68 -39.93 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.438 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 6.4 t 60.06 40.06 19.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -0.792 . . . . 0.0 109.412 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -79.49 129.94 34.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.338 -0.851 . . . . 0.0 109.163 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -94.93 146.21 24.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 -179.545 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.37 34.45 5.83 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 179.87 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -75.51 147.94 39.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -1.133 . . . . 0.0 109.672 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' Y' ' 103' ' ' SER . 25.3 m -62.19 -25.41 67.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 7.1 t -43.39 -24.5 0.1 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.676 0.751 . . . . 0.0 109.162 179.661 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' Y' ' 101' ' ' SER . 47.6 t -56.73 -39.35 73.78 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.589 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.816 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 37.7 t-80 -59.97 -37.69 80.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.083 -1.01 . . . . 0.0 108.413 179.015 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.63 -32.35 67.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.51 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 31.3 mtmm -59.95 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.605 -1.31 . . . . 0.0 108.921 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . 0.647 ' O ' HD23 ' Y' ' 108' ' ' LEU . 1.5 tt -70.01 -29.22 66.23 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.188 -0.945 . . . . 0.0 109.261 179.6 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -61.55 -24.64 66.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.517 -1.365 . . . . 0.0 109.777 179.514 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -50.91 -26.12 5.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.604 -1.31 . . . . 0.0 108.285 -179.66 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.567 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -76.86 -40.06 48.96 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.789 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 52.7 p -60.02 -33.37 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.32 -0.952 . . . . 0.0 108.647 179.596 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.451 ' CA ' ' OE2' ' B' ' 39' ' ' GLU . 3.9 t 61.0 21.73 12.04 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.454 -0.779 . . . . 0.0 109.561 -179.927 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.89 -6.5 49.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.43 -0.793 . . . . 0.0 109.214 179.366 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' GLU . 25.1 tp -42.49 -23.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.719 . . . . 0.0 110.277 -178.785 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLU . 85.6 tt0 -69.91 -39.31 76.26 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.995 -1.066 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -74.93 -32.96 61.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.789 -1.195 . . . . 0.0 109.296 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -45.17 72.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.36 -0.837 . . . . 0.0 110.742 -178.629 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.15 -39.92 91.9 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.181 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.07 -35.81 75.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.504 -0.747 . . . . 0.0 109.739 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.7 -36.15 78.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.397 -0.814 . . . . 0.0 111.217 -178.46 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.97 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.679 -1.263 . . . . 0.0 107.998 -179.355 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.43 -39.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.749 -0.594 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.14 -48.86 79.94 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.869 -1.144 . . . . 0.0 112.28 -178.379 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.01 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.014 -1.053 . . . . 0.0 110.773 -177.816 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 88.9 t80 -58.66 -36.91 74.9 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.926 -1.109 . . . . 0.0 109.575 -178.916 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -69.44 -26.23 64.5 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 110.199 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.98 -42.8 94.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.552 -1.343 . . . . 0.0 110.573 -179.142 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 70.1 m-85 -95.52 -28.99 14.61 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.76 -1.213 . . . . 0.0 112.435 -178.804 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.523 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 50.3 m -60.01 -40.03 87.88 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 120.925 -1.109 . . . . 0.0 109.189 -178.403 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.15 4.52 83.15 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.796 -1.414 . . . . 0.0 110.629 -178.628 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -101.93 0.37 35.24 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.061 -1.024 . . . . 0.0 108.861 179.501 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.64 -3.22 59.1 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -82.3 68.11 8.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.919 -1.342 . . . . 0.0 108.324 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -69.38 -36.02 76.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 110.227 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -77.83 -20.03 53.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 111.233 -178.818 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -143.8 159.05 43.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.851 -1.156 . . . . 0.0 109.945 -179.068 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 tp -118.14 130.12 55.93 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 63.4 tttp -99.15 144.37 28.36 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 -179.63 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.2 pttm -41.08 -22.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.783 0.801 . . . . 0.0 109.618 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 t -72.11 -55.52 7.18 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.405 0.621 . . . . 0.0 109.617 -179.458 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 17' ' ' TYR . 68.5 mt-10 -62.72 -34.06 76.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.34 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.08 -44.76 94.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.654 -0.654 . . . . 0.0 109.603 -179.502 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.95 -39.97 96.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.283 -0.885 . . . . 0.0 110.398 179.681 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.19 69.27 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.091 -1.005 . . . . 0.0 109.11 -178.444 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.9 -44.47 63.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.909 -1.119 . . . . 0.0 108.912 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.68 -48.67 63.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.708 -178.296 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.68 -30.66 52.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 112.096 -178.616 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -98.22 -40.36 8.4 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.099 -1.0 . . . . 0.0 112.893 -177.504 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 7.4 tp10 -87.45 -19.45 27.99 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.29 -1.506 . . . . 0.0 110.711 -177.675 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.9 mt -116.97 48.4 1.32 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 89.5 p -60.1 -40.32 89.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.511 -0.743 . . . . 0.0 111.538 -178.319 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -129.69 -20.63 3.19 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.023 -1.048 . . . . 0.0 110.54 -179.123 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.7 -38.06 89.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.027 -1.046 . . . . 0.0 109.888 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.0 tp -138.71 155.35 48.31 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.046 -1.034 . . . . 0.0 108.221 179.453 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' HE ' ' X' ' 104' ' ' ARG . 87.5 tt0 -61.0 113.87 2.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.67 -1.269 . . . . 0.0 108.667 179.725 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.66 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -67.88 176.95 2.31 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.584 -0.697 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.01 135.41 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -101.73 -20.91 14.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.478 -0.764 . . . . 0.0 110.465 -177.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -117.98 140.09 50.24 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.302 -0.874 . . . . 0.0 110.206 -179.323 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -71.15 -18.77 62.49 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.522 -0.736 . . . . 0.0 110.009 179.691 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 50' ' ' GLN . 8.4 pt-20 -65.99 -39.56 90.43 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.011 -1.055 . . . . 0.0 109.661 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.5 t -60.04 -39.91 81.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.681 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.61 -40.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.52 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -61.69 -40.0 93.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.397 -0.814 . . . . 0.0 109.914 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 63.1 tttm -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -179.743 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 t -64.91 -31.63 54.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.5 mmm -70.06 -33.2 71.62 Favored 'General case' 0 C--O 1.195 -1.769 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.79 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.38 -39.07 75.26 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.051 -1.656 . . . . 0.0 107.084 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -73.93 -46.29 45.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.746 -0.596 . . . . 0.0 110.859 179.291 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.2 mt -89.47 -13.03 38.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.175 -178.359 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.1 t0 -79.88 58.54 2.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.25 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 63.2 mt-10 -59.62 -31.85 69.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 75.6 m-20 -77.89 -10.32 59.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.853 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.15 30.05 72.73 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 179.536 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 46.2 p-10 -108.49 9.42 27.5 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.216 -1.167 . . . . 0.0 110.212 -179.56 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.7 9.59 82.75 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.398 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 77.1 mt-10 -139.32 134.73 32.96 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 11.2 p -99.01 129.76 45.31 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.946 -1.097 . . . . 0.0 108.693 179.522 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 5.3 t70 -70.6 166.27 21.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.28 -0.888 . . . . 0.0 109.037 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 10.6 t80 -55.08 -39.9 69.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.024 -1.048 . . . . 0.0 108.925 -179.415 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.7 -35.23 80.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.824 -1.172 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 39.6 mt-10 -68.55 -40.09 80.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.049 -1.032 . . . . 0.0 110.284 -179.329 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -59.97 -39.45 85.7 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.678 -0.639 . . . . 0.0 110.471 -179.434 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.02 -32.55 73.84 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.602 -1.311 . . . . 0.0 110.385 -178.654 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.97 -38.32 82.2 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.098 -1.001 . . . . 0.0 110.123 179.647 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -63.7 -36.64 77.22 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 O-C-N 121.572 -0.705 . . . . 0.0 110.298 -178.526 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 19.1 p -65.85 -40.07 91.38 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.834 -177.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.414 ' H ' ' HG2' ' A' ' 79' ' ' MET . 19.0 ptm -75.27 -39.97 59.27 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.313 -178.376 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.61 -37.6 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.664 -1.272 . . . . 0.0 109.604 -179.72 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.03 87.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 108.954 -179.518 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.422 HG23 ' CE2' ' B' ' 70' ' ' PHE . 3.1 m -54.1 -36.69 63.48 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.03 92.21 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.809 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 m -59.65 -33.9 72.13 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.562 -0.711 . . . . 0.0 109.459 -179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.79 -41.03 90.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.03 -1.044 . . . . 0.0 108.683 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.05 -39.97 91.84 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.136 -0.978 . . . . 0.0 108.43 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.52 -40.03 70.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.17 59.57 0.76 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.37 102.13 0.13 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.163 -0.961 . . . . 0.0 109.188 -179.682 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -80.21 98.22 7.27 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.465 0.65 . . . . 0.0 109.455 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.536 -0.728 . . . . 0.0 . -179.968 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.449 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 3.7 t 61.15 21.75 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 109.504 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -74.94 -6.37 48.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.485 -0.759 . . . . 0.0 109.189 179.412 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.9 tp -42.49 -23.99 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -178.78 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.6 tt0 -69.75 -39.24 76.87 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -74.89 -32.99 61.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 109.281 -179.163 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.23 72.91 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.375 -0.828 . . . . 0.0 110.728 -178.698 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 31.0 mtt -61.04 -40.01 91.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 110.222 -179.454 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.03 -35.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.516 -0.74 . . . . 0.0 109.802 -179.711 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.93 -36.03 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 111.326 -178.545 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.665 -1.272 . . . . 0.0 107.84 -179.448 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.23 -40.08 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.93 -48.76 80.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.817 -1.177 . . . . 0.0 112.402 -178.488 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -39.99 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.93 -1.106 . . . . 0.0 110.7 -177.798 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 89.4 t80 -58.61 -37.15 75.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.034 -1.041 . . . . 0.0 109.519 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -69.28 -26.21 64.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.968 -1.083 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.12 -42.23 94.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.576 -1.327 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 70.0 m-85 -96.05 -29.0 14.36 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.827 -1.17 . . . . 0.0 112.232 -178.795 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.494 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 52.1 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.009 -1.057 . . . . 0.0 109.263 -178.506 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.16 4.45 83.36 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.07 -49.88 75.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.733 -1.451 . . . . 0.0 110.674 -178.479 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -101.9 0.37 35.31 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 108.916 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.74 58.72 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 68.3 m-20 -82.07 68.31 8.41 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.92 -1.341 . . . . 0.0 108.5 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -69.49 -36.1 76.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.392 -0.818 . . . . 0.0 110.258 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -77.9 -19.9 53.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.226 -178.839 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' B' ' 23' ' ' ASP . 54.1 pttt -143.83 158.78 43.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.859 -1.151 . . . . 0.0 109.95 -179.032 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.86 130.19 56.1 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.562 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' B' ' 30' ' ' SER . 63.3 tttp -99.53 144.24 28.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.874 -1.141 . . . . 0.0 109.859 -179.702 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.1 pttm -40.92 -23.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.785 0.802 . . . . 0.0 109.566 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.532 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 47.4 t -72.24 -55.37 7.32 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.663 -179.374 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' B' ' 17' ' ' TYR . 67.6 mt-10 -62.77 -34.04 76.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.161 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.05 -45.01 94.26 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.705 -0.622 . . . . 0.0 109.521 -179.249 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.75 -39.97 95.8 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.27 -0.894 . . . . 0.0 110.416 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.09 69.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 109.131 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.8 -44.62 63.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.889 -1.132 . . . . 0.0 108.932 178.323 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.72 -48.55 64.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.81 -0.556 . . . . 0.0 110.671 -178.191 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.2 m-20 -77.63 -30.99 52.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.151 -0.968 . . . . 0.0 112.097 -178.482 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -98.22 -40.05 8.56 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.1 -1.0 . . . . 0.0 112.848 -177.395 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' A' ' 1' ' ' SER . 6.9 tp10 -87.73 -19.32 27.75 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.369 -1.457 . . . . 0.0 110.741 -177.676 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 11.3 mt -116.92 48.05 1.37 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.71 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 95.0 p -60.05 -40.35 89.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.468 -0.77 . . . . 0.0 111.558 -178.231 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.51 -20.6 3.26 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.953 -1.092 . . . . 0.0 110.633 -179.126 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -63.93 -37.88 89.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.029 -1.044 . . . . 0.0 109.831 -179.276 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -138.83 155.26 48.28 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.486 ' HG2' ' HE ' ' Y' ' 104' ' ' ARG . 86.9 tt0 -60.86 114.09 2.86 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.663 -1.273 . . . . 0.0 108.577 179.842 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.685 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 0.4 OUTLIER -67.91 177.16 2.24 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.512 0.673 . . . . 0.0 109.979 179.941 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.444 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 91.0 mt -109.17 135.39 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -101.78 -21.0 14.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.784 . . . . 0.0 110.424 -177.783 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -117.79 139.98 50.32 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.471 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -71.17 -18.75 62.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.615 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 8.0 pt-20 -65.93 -39.88 90.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.037 -1.039 . . . . 0.0 109.654 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 70.4 t -60.03 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.738 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.4 -39.93 84.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.571 179.595 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.85 -39.91 93.5 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.397 -0.814 . . . . 0.0 109.921 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.51 -39.99 92.5 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.02 -31.93 56.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.855 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.615 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -69.89 -33.17 71.85 Favored 'General case' 0 C--O 1.195 -1.767 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.811 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -57.48 -38.98 75.43 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 120.031 -1.668 . . . . 0.0 107.157 179.219 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -74.0 -46.18 45.22 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.817 -0.552 . . . . 0.0 110.829 179.314 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 40.9 mt -89.64 -13.06 37.88 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.026 -1.046 . . . . 0.0 111.239 -178.362 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -79.79 58.59 2.86 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.225 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 61.4 mt-10 -59.73 -31.82 69.97 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.424 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 75.1 m-20 -77.88 -10.49 59.6 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.929 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.41 29.93 72.9 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.581 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 46.1 p-10 -108.32 9.43 27.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.258 -1.142 . . . . 0.0 110.258 -179.66 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.442 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 74.51 9.91 82.21 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.356 -1.898 . . . . 0.0 108.356 -179.448 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 79.6 mt-10 -139.55 134.55 32.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 10.0 p -98.86 129.78 45.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.936 -1.102 . . . . 0.0 108.742 179.651 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 5.5 t70 -70.61 166.36 20.84 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 108.985 -179.191 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.4 t80 -55.15 -39.99 70.09 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.008 -1.058 . . . . 0.0 108.876 -179.468 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.81 -34.83 79.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.802 -1.186 . . . . 0.0 109.86 179.969 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 40.1 mt-10 -68.82 -40.11 79.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.989 -1.069 . . . . 0.0 110.225 -179.289 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.69 -35.7 80.77 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.695 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -59.96 -39.41 85.53 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.665 -0.647 . . . . 0.0 110.472 -179.253 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.92 -32.52 73.83 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.566 -1.334 . . . . 0.0 110.376 -178.632 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.06 -38.03 81.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -36.68 77.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 O-C-N 121.553 -0.717 . . . . 0.0 110.246 -178.615 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 20.2 p -65.69 -39.98 91.83 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.96 -178.11 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.445 ' H ' ' HG2' ' B' ' 79' ' ' MET . 19.7 ptm -75.52 -40.01 57.6 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.859 -1.151 . . . . 0.0 111.322 -178.385 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.44 -37.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.609 -1.307 . . . . 0.0 109.472 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.8 m -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.002 -179.44 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 70' ' ' PHE . 3.1 m -54.18 -36.61 63.6 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.84 91.78 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.857 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.4 m -59.97 -33.61 72.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.726 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -60.0 -40.7 90.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.004 -1.06 . . . . 0.0 108.636 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.22 -40.02 92.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.079 -1.013 . . . . 0.0 108.415 178.739 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.56 -39.75 70.45 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.777 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.52 59.91 0.85 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.777 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.72 101.96 0.13 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.147 -0.971 . . . . 0.0 109.012 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -80.05 98.21 7.14 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.521 0.677 . . . . 0.0 109.445 -179.767 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.496 -0.752 . . . . 0.0 . -179.902 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -88.61 160.75 17.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 0.0 109.102 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 94' ' ' LEU . . . . . 0.529 HD22 ' N ' ' X' ' 94' ' ' LEU . 3.3 mm? -67.44 141.45 56.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.179 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.409 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 41.9 t -153.79 150.51 28.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.081 -1.012 . . . . 0.0 110.096 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -86.59 172.67 10.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.542 -0.723 . . . . 0.0 109.296 179.669 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.76 -132.86 47.9 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -106.14 173.79 6.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.512 -0.993 . . . . 0.0 109.447 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 101' ' ' SER . . . . . 0.402 ' O ' ' N ' ' X' ' 103' ' ' SER . 41.2 m -49.42 -24.92 2.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.29 -0.881 . . . . 0.0 109.648 -179.907 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' X' X ' 102' ' ' THR . . . . . 0.54 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 58.2 p -44.87 -24.76 0.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.402 -0.811 . . . . 0.0 109.488 -179.916 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' X' X ' 103' ' ' SER . . . . . 0.402 ' N ' ' O ' ' X' ' 101' ' ' SER . 68.5 m -48.13 -24.72 1.2 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 108.732 178.747 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' X' X ' 104' ' ' ARG . . . . . 0.418 ' NH1' ' HG2' ' X' ' 104' ' ' ARG . 41.3 ttt-85 -59.98 -42.05 93.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.83 -0.544 . . . . 0.0 110.38 -179.474 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' X' X ' 105' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.7 p-80 -60.09 -39.24 85.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.91 -178.849 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' X' X ' 106' ' ' LYS . . . . . 0.611 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 2.1 tmtp? -59.98 -39.22 84.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 110.277 -179.238 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' X' X ' 107' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 18.6 mtpp -60.08 -40.02 88.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 0.0 110.807 -178.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -76.36 -27.15 56.33 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.83 -1.169 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 109' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.1 -24.55 63.05 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.763 -1.211 . . . . 0.0 108.964 -179.684 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' X' X ' 110' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' X' ' 107' ' ' LYS . 0.2 OUTLIER -51.45 -29.06 14.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.417 -1.427 . . . . 0.0 109.655 -179.233 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' X' X ' 111' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.5 -1.375 . . . . 0.0 107.585 176.351 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 41.2 p -60.94 -38.83 87.18 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.848 . . . . 0.0 . -179.451 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -88.58 161.13 17.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.348 -0.845 . . . . 0.0 109.105 179.745 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 94' ' ' LEU . . . . . 0.545 HD22 ' N ' ' Y' ' 94' ' ' LEU . 3.3 mm? -67.93 141.83 56.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.078 -1.014 . . . . 0.0 109.044 179.775 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.23 -39.95 88.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.122 -0.986 . . . . 0.0 109.365 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 38.5 t -153.54 150.8 29.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.043 -1.036 . . . . 0.0 110.172 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -86.82 172.45 10.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.49 -0.756 . . . . 0.0 109.214 179.592 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.94 -39.94 87.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.102 -0.999 . . . . 0.0 108.577 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.49 -133.01 46.95 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.562 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -105.63 173.89 6.11 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -1.02 . . . . 0.0 109.506 -179.614 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 45.5 m -49.54 -24.81 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.52 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 102' ' ' THR . . . . . 0.53 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 54.1 p -45.05 -24.77 0.26 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.371 -0.83 . . . . 0.0 109.566 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 74.3 m -48.04 -24.69 1.15 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.179 -0.951 . . . . 0.0 108.771 178.642 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 104' ' ' ARG . . . . . 0.486 ' HE ' ' HG2' ' B' ' 45' ' ' GLU . 41.7 ttt-85 -59.95 -42.2 93.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.857 -0.527 . . . . 0.0 110.392 -179.557 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.8 p-80 -60.02 -39.22 85.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.914 -1.116 . . . . 0.0 109.863 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' Y' Y ' 106' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 2.2 tmtp? -60.0 -39.36 85.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.24 -179.212 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' Y' Y ' 107' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 18.6 mtpp -59.9 -40.01 87.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.943 -1.098 . . . . 0.0 110.828 -178.888 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.56 -26.73 55.42 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.879 -1.138 . . . . 0.0 110.116 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 109' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.4 -24.58 63.58 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.799 -1.188 . . . . 0.0 108.976 -179.806 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' Y' Y ' 110' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' Y' ' 107' ' ' LYS . 0.2 OUTLIER -51.51 -29.14 15.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.433 -1.417 . . . . 0.0 109.577 -179.357 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' Y' Y ' 111' ' ' LYS . . . . . 0.462 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.5 OUTLIER -69.96 -40.3 75.51 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.418 -1.426 . . . . 0.0 107.669 176.42 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 40.8 p -60.15 -38.59 83.6 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.02 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.446 -0.784 . . . . 0.0 . -179.334 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 2' ' ' GLU . 59.3 ttm . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.18 19.99 0.36 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.188 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.506 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 21.3 pt-20 -76.22 26.4 0.12 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -63.73 -30.56 71.65 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.794 -1.192 . . . . 0.0 109.188 -179.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.8 -39.98 95.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.321 -0.862 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' A' ' 2' ' ' GLU . 47.6 pttt -73.85 -28.18 61.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.511 -1.368 . . . . 0.0 108.783 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.72 78.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.701 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -68.91 -39.78 79.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.94 -1.1 . . . . 0.0 109.217 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.04 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.565 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -38.88 67.73 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.253 -0.904 . . . . 0.0 110.214 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.595 HD12 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -59.22 -43.4 92.3 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -178.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.9 mt -69.92 -34.62 60.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.715 -0.616 . . . . 0.0 110.416 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 m-20 -60.01 -46.3 89.92 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.845 -1.159 . . . . 0.0 111.67 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -39.94 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.737 -1.227 . . . . 0.0 108.927 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 30.8 t80 -57.45 -38.37 74.33 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.97 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -66.63 -29.65 69.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 110.883 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.574 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -60.04 -41.88 93.24 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.871 -1.143 . . . . 0.0 110.414 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -90.52 -40.12 12.17 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.825 -1.172 . . . . 0.0 112.455 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.4 p -60.13 -41.33 92.47 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.83 -1.169 . . . . 0.0 110.39 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.19 -10.2 84.24 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.46 -47.15 87.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.17 -1.194 . . . . 0.0 109.429 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -114.6 172.52 6.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.724 0.773 . . . . 0.0 110.165 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -55.04 -32.98 56.98 Favored Glycine 0 N--CA 1.493 2.437 0 O-C-N 121.705 -0.622 . . . . 0.0 112.032 -178.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 26' ' ' LYS . 6.4 m-20 -70.03 62.83 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.309 -1.701 . . . . 0.0 109.801 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' GLY . 36.0 ttpt -61.77 -39.99 93.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.645 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 6.3 p80 -94.67 0.33 54.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -0.951 . . . . 0.0 110.916 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 23' ' ' ASP . 48.2 mtmt -141.54 154.83 45.71 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.961 -1.087 . . . . 0.0 109.785 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.55 132.2 56.21 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.489 -0.757 . . . . 0.0 109.05 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.8 tttp -98.29 147.27 24.82 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -43.99 -24.25 0.13 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.123 -0.985 . . . . 0.0 109.175 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LYS . 24.4 t -77.13 -50.41 13.07 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.15 -36.88 85.49 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.99 -40.37 88.92 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.596 -0.69 . . . . 0.0 109.399 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 109.79 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.78 -40.11 95.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.138 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.74 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.1 tm? -60.18 -49.86 75.95 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.831 -1.168 . . . . 0.0 108.361 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.63 -49.01 55.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 112.49 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -75.54 -48.12 23.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.614 -1.304 . . . . 0.0 112.62 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -78.61 -47.05 17.9 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 121.483 -0.761 . . . . 0.0 112.855 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.624 -1.297 . . . . 0.0 109.958 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.9 62.57 2.65 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.601 -0.687 . . . . 0.0 110.186 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -137.37 -18.51 1.28 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.255 -0.903 . . . . 0.0 110.423 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -61.39 -39.97 92.65 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.075 . . . . 0.0 110.238 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -129.41 158.79 38.17 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.91 111.94 1.86 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 109.536 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' NH1' ' X' ' 104' ' ' ARG . 34.6 mt-10 -53.58 156.86 2.39 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.864 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.37 128.4 46.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -101.0 -23.17 14.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.164 -0.96 . . . . 0.0 109.26 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 94.5 mt-10 -124.4 139.79 53.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 109.826 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -69.42 -19.78 63.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 109.013 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.2 pt-20 -59.84 -35.48 74.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.905 -1.122 . . . . 0.0 109.183 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.13 -37.78 74.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 t -68.55 -33.36 59.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 61.5 t0 -65.39 -38.31 89.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.149 0.976 . . . . 0.0 109.502 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 65.6 tttm -69.88 -39.97 75.98 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 122.26 1.029 . . . . 0.0 108.521 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.0 t -67.61 -30.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -38.5 90.37 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.88 -39.89 72.18 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.385 -1.447 . . . . 0.0 107.549 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 m -78.6 -44.82 23.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.675 -0.641 . . . . 0.0 111.479 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.4 mt -89.73 -14.68 34.14 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.849 -1.157 . . . . 0.0 111.31 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.8 t0 -81.29 61.26 4.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -59.83 -40.04 87.12 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 -14.48 60.93 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.21 30.07 76.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -107.08 6.88 29.34 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.246 -1.15 . . . . 0.0 109.689 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.497 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.42 4.83 87.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -136.03 130.05 32.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.854 -0.792 . . . . 0.0 109.058 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 126.98 43.35 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.8 161.86 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.377 -0.827 . . . . 0.0 110.108 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -52.09 -31.95 32.84 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.094 -1.004 . . . . 0.0 109.209 -178.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.65 -38.14 80.21 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.421 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.5 mt-10 -68.46 -40.09 81.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.347 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.04 -37.52 82.88 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.428 -0.795 . . . . 0.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.595 ' SD ' HD12 ' A' ' 10' ' ' LEU . 75.6 mmm -60.01 -39.11 84.68 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.225 0.536 . . . . 0.0 110.607 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.2 67.83 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.252 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 80' ' ' VAL . 81.0 t80 -70.01 -23.1 63.07 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.948 -1.095 . . . . 0.0 110.261 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -32.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.2 -0.937 . . . . 0.0 109.85 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -72.11 -40.22 68.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.373 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm -70.36 -42.66 71.54 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.027 -1.046 . . . . 0.0 110.936 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 76' ' ' PHE . 24.5 t -64.95 -36.43 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.476 -1.39 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.8 m -59.81 -39.76 86.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.287 -0.883 . . . . 0.0 108.769 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.488 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.5 m -51.93 -41.98 62.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.3 82.22 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.45 -33.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.705 -0.622 . . . . 0.0 109.843 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -59.94 -41.07 91.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.827 -1.17 . . . . 0.0 108.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 52.6 mp0 -61.77 -39.03 90.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.953 -1.092 . . . . 0.0 108.96 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -81.67 -40.97 22.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.85 . . . . 0.0 110.018 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 31.2 t80 . . . . . 0 C--N 1.303 -1.445 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.415 ' C ' ' N ' ' B' ' 2' ' ' GLU . 58.7 ttm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.466 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.48 19.98 0.43 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.13 -0.981 . . . . 0.0 109.219 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.442 ' OE1' ' NZ ' ' B' ' 5' ' ' LYS . 21.6 pt-20 -76.01 25.59 0.12 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -63.0 -30.85 71.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.823 -1.173 . . . . 0.0 109.16 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.61 -40.01 95.58 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.262 -0.899 . . . . 0.0 111.821 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.442 ' NZ ' ' OE1' ' B' ' 2' ' ' GLU . 48.7 pttt -73.84 -28.14 61.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.525 -1.359 . . . . 0.0 108.804 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -39.26 77.75 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.645 -0.659 . . . . 0.0 110.784 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 25.7 mtt -68.87 -39.87 79.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.919 -1.113 . . . . 0.0 109.137 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.0 -35.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 119.804 -0.759 . . . . 0.0 110.566 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.99 -38.44 66.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.585 HD12 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -59.54 -43.05 93.6 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.93 -34.98 62.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.739 -0.601 . . . . 0.0 110.349 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.503 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 99.1 m-20 -59.98 -46.24 90.1 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.934 -1.104 . . . . 0.0 111.68 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -39.96 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.759 -1.213 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 28.7 t80 -57.76 -37.99 74.61 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.027 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.95 -29.15 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.725 -1.234 . . . . 0.0 110.791 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.581 ' OE1' ' N ' ' B' ' 16' ' ' GLN . 0.3 OUTLIER -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.791 -1.193 . . . . 0.0 110.487 -179.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -90.48 -40.06 12.23 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.86 -1.15 . . . . 0.0 112.371 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 p -60.23 -41.21 92.64 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.68 -1.262 . . . . 0.0 110.429 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.97 -10.34 83.94 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.74 -46.8 89.06 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.171 -1.194 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.9 172.51 7.0 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.685 0.755 . . . . 0.0 110.127 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -54.99 -32.76 56.66 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.644 -0.66 . . . . 0.0 111.995 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 6.5 m-20 -70.09 62.83 0.22 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.311 -1.699 . . . . 0.0 109.847 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.6 ttpt -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.163 -0.961 . . . . 0.0 110.358 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.623 ' H ' ' CD2' ' B' ' 25' ' ' HIS . 6.2 p80 -94.77 0.31 54.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.173 -0.955 . . . . 0.0 110.816 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 49.1 mtmt -141.53 154.86 45.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.986 -1.071 . . . . 0.0 109.824 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.64 131.81 56.18 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.54 -0.725 . . . . 0.0 109.098 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.7 tttp -98.01 147.26 24.69 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 57.3 pttt -43.99 -24.11 0.13 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 22.8 t -77.2 -50.51 12.79 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.13 -36.96 85.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.07 -40.15 88.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.678 -0.639 . . . . 0.0 109.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.17 -40.03 88.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.63 -40.17 96.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 109.26 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.16 -49.68 76.68 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.846 -1.159 . . . . 0.0 108.449 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -70.84 -48.91 54.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.558 -0.714 . . . . 0.0 112.495 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.82 -47.97 23.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.654 -1.279 . . . . 0.0 112.603 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.69 -47.01 17.78 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.443 -0.786 . . . . 0.0 112.848 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -69.63 -40.04 76.79 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.534 -1.354 . . . . 0.0 109.858 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.62 62.57 2.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -60.09 -40.13 88.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -137.13 -18.88 1.3 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.23 -0.919 . . . . 0.0 110.506 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.99 -39.87 91.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 110.279 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.57 158.89 38.02 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.97 -1.081 . . . . 0.0 109.526 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.553 ' O ' ' NH1' ' Y' ' 104' ' ' ARG . 30.4 mt-10 -53.47 156.62 2.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.66 0.743 . . . . 0.0 110.003 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' Y' ' 104' ' ' ARG . 5.8 mm -95.15 128.85 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -101.38 -23.11 14.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.21 -0.931 . . . . 0.0 109.384 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 94.7 mt-10 -124.54 140.01 53.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.678 -0.639 . . . . 0.0 109.666 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.89 -19.52 63.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.363 -0.836 . . . . 0.0 108.834 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 8.4 pt-20 -59.82 -35.44 74.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.957 -1.089 . . . . 0.0 109.159 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.08 -37.79 74.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 32.1 t -68.38 -33.52 60.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 61.4 t0 -65.44 -38.24 89.27 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.083 0.944 . . . . 0.0 109.51 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.613 ' NZ ' ' SD ' ' Y' ' 109' ' ' MET . 64.4 tttm -70.01 -39.95 75.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 122.3 1.048 . . . . 0.0 108.385 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.6 -30.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.595 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.57 -38.3 89.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.77 -39.98 71.98 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.409 -1.432 . . . . 0.0 107.52 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 m -78.8 -44.81 22.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.759 -0.588 . . . . 0.0 111.538 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 29.3 mt -89.59 -14.87 34.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.907 -1.121 . . . . 0.0 111.238 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.7 t0 -81.25 61.38 4.74 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -74.53 -14.16 60.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.14 29.96 75.95 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -107.05 6.92 29.44 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.177 -1.19 . . . . 0.0 109.659 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.09 5.11 86.98 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.84 129.68 32.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.752 -0.852 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.48 127.04 43.12 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -73.01 161.83 30.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 0.0 110.024 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -52.07 -31.95 32.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.079 -1.013 . . . . 0.0 109.234 -178.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.79 -37.67 79.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.803 -1.186 . . . . 0.0 108.448 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 41.7 mt-10 -68.74 -40.15 79.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.081 -1.012 . . . . 0.0 109.179 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.78 -37.81 83.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.488 -0.757 . . . . 0.0 109.876 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.585 ' SD ' HD12 ' B' ' 10' ' ' LEU . 76.3 mmm -59.94 -39.03 84.11 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.216 0.531 . . . . 0.0 110.649 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.92 67.3 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.155 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.543 ' O ' HG23 ' B' ' 80' ' ' VAL . 77.9 t80 -69.96 -23.49 63.18 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.98 -1.075 . . . . 0.0 110.265 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.52 -32.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.231 -0.918 . . . . 0.0 109.808 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -72.1 -40.11 68.41 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 110.394 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.8 ptm -70.56 -42.01 71.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.879 -1.138 . . . . 0.0 111.129 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 76' ' ' PHE . 23.9 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.554 -1.341 . . . . 0.0 109.135 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 39.2 m -59.78 -39.5 85.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -0.875 . . . . 0.0 108.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.494 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.8 m -52.0 -42.13 62.75 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.05 82.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.58 -33.21 71.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -59.89 -40.96 90.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.76 -1.212 . . . . 0.0 108.93 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' B' ' 82' ' ' THR . 53.1 mp0 -62.0 -38.93 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.974 -1.079 . . . . 0.0 108.894 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -81.8 -40.7 22.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.981 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 30.4 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 46' ' ' GLU . 2.9 ptm180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.345 0.593 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 22.0 p-80 -60.16 -39.94 88.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 108.905 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 78.9 tttt -59.91 -31.68 70.05 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.468 -0.77 . . . . 0.0 109.43 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 7.7 ttpm? -59.86 -40.14 87.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.179 . . . . 0.0 108.866 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.15 -24.85 58.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 55' ' ' LYS . 26.7 mmt -60.4 -24.8 65.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.806 -1.184 . . . . 0.0 110.297 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -53.9 -26.24 24.1 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.526 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.9 tppt? -72.7 -41.96 64.73 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.308 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -60.18 -35.31 75.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.462 -0.774 . . . . 0.0 109.631 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 . -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' B' ' 46' ' ' GLU . 2.7 ptm180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 21.1 p-80 -60.02 -40.12 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.147 -0.971 . . . . 0.0 108.951 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.544 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 78.7 tttt -59.9 -31.62 69.98 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.445 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.429 ' HZ3' ' HB3' ' Y' ' 107' ' ' LYS . 7.6 ttpm? -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.909 -1.119 . . . . 0.0 108.868 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.5 tp -75.31 -24.9 57.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.0 109.315 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.613 ' SD ' ' NZ ' ' B' ' 55' ' ' LYS . 24.6 mmt -60.21 -24.76 65.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.805 -1.185 . . . . 0.0 110.265 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -54.01 -26.33 25.68 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -72.41 -42.4 65.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.8 p -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.48 -0.762 . . . . 0.0 109.719 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 . -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 3' ' ' LEU . 6.3 m 59.76 22.26 11.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.519 -0.738 . . . . 0.0 110.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -76.32 15.52 0.58 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 108.796 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 1' ' ' SER . 59.3 tp -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.616 -0.677 . . . . 0.0 110.303 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.839 -1.163 . . . . 0.0 110.356 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.7 mppt? -71.59 -39.66 70.41 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.248 -0.907 . . . . 0.0 110.281 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.32 83.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.045 -1.035 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.37 -40.0 95.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.165 -0.959 . . . . 0.0 109.945 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.47 -37.84 80.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.58 94.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.951 -0.468 . . . . 0.0 111.702 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.651 -1.281 . . . . 0.0 108.129 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -67.59 -37.66 79.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 O-C-N 121.642 -0.661 . . . . 0.0 111.008 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.18 -40.59 86.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.682 -1.261 . . . . 0.0 111.818 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -40.67 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 70' ' ' PHE . 83.3 t80 -60.03 -39.97 87.7 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.21 -0.931 . . . . 0.0 109.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -64.12 -28.64 69.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.868 -1.145 . . . . 0.0 110.594 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -59.99 -42.7 94.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.809 -1.182 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.19 -40.71 12.69 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.858 -1.151 . . . . 0.0 112.539 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.843 -1.161 . . . . 0.0 110.403 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.81 83.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -60.02 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.046 -1.267 . . . . 0.0 109.889 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.74 -73.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.248 -0.908 . . . . 0.0 109.108 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.97 -24.32 0.05 OUTLIER Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.317 -1.421 . . . . 0.0 110.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.6 m-20 -80.67 84.34 6.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.803 -1.41 . . . . 0.0 109.562 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.04 -39.2 75.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.57 -0.706 . . . . 0.0 110.068 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.42 -0.57 57.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.227 -0.921 . . . . 0.0 110.703 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 20.4 ttpp -148.17 155.25 41.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.768 -1.208 . . . . 0.0 110.016 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.41 136.52 54.12 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 62.2 tttp -106.63 153.24 22.66 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.998 -1.063 . . . . 0.0 110.295 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -23.16 0.37 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 108.689 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 99.0 p -76.88 -48.22 18.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.05 -35.82 78.87 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 tp -60.03 -43.53 95.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.74 -0.6 . . . . 0.0 109.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 65.0 tttm -61.79 -40.0 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.869 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.5 -33.63 74.48 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.963 -1.086 . . . . 0.0 108.774 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 39' ' ' GLU . 4.1 tt -66.0 -51.89 54.29 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.086 -1.009 . . . . 0.0 108.998 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' N ' HD23 ' A' ' 35' ' ' LEU . 94.8 mt -70.03 -42.84 79.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.188 -0.945 . . . . 0.0 111.571 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.552 ' C ' HD22 ' A' ' 38' ' ' ASN . 19.0 t-20 -70.1 -40.01 75.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 112.171 -178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.667 ' N ' HD22 ' A' ' 38' ' ' ASN . 1.5 m120 -98.23 -39.95 8.6 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.299 -0.876 . . . . 0.0 112.498 -176.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 70.4 tt0 -70.03 -33.99 72.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.565 -1.335 . . . . 0.0 108.236 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mt -119.87 40.97 3.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.918 -0.489 . . . . 0.0 110.002 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -60.49 -51.21 70.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.981 -1.075 . . . . 0.0 110.351 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.42 -22.85 12.13 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.342 -0.849 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.96 -29.72 66.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.983 -1.073 . . . . 0.0 110.56 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.0 tp -136.02 -144.54 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.119 -0.988 . . . . 0.0 109.221 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -95.12 109.77 21.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 110.229 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 147.32 53.24 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.415 HG21 HG23 ' A' ' 53' ' ' VAL . 6.4 mt -95.17 142.35 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.026 -1.046 . . . . 0.0 109.798 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 -18.98 11.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.732 -0.605 . . . . 0.0 110.143 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -130.1 148.15 51.92 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.275 -0.891 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.5 mm100 -69.72 -24.9 63.63 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 7.7 pt-20 -60.74 -40.0 90.8 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.54 -0.725 . . . . 0.0 111.213 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' X' ' 105' ' ' HIS . 64.9 t -60.56 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.047 -1.033 . . . . 0.0 108.948 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.415 HG23 HG21 ' A' ' 47' ' ' ILE . 64.7 t -65.72 -40.01 86.55 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.537 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.5 -40.07 90.02 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.504 -0.748 . . . . 0.0 110.046 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.8 -39.98 87.95 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.9 -31.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 85.2 mmm -69.98 -30.5 67.86 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 119.449 -0.901 . . . . 0.0 109.034 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -57.3 -39.53 75.95 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.081 -1.637 . . . . 0.0 106.839 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -76.69 -45.16 30.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.756 -0.59 . . . . 0.0 111.381 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 mt -87.96 -16.94 32.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.834 -1.166 . . . . 0.0 110.691 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.0 t0 -79.66 60.53 3.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.66 -39.28 80.18 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.09 -15.87 63.05 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.92 31.79 81.98 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 8.9 p-10 -107.61 7.69 28.76 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.219 -1.165 . . . . 0.0 110.354 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 1.0 87.02 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 14.2 pt-20 -140.33 145.83 37.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.37 139.49 49.43 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.01 170.01 17.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.351 -0.843 . . . . 0.0 109.534 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 15.3 t80 -52.88 -40.63 63.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.028 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.13 -0.981 . . . . 0.0 110.614 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.49 -39.98 92.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.545 -1.347 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.45 -33.05 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.251 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 76.8 mmm -59.84 -36.68 77.34 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.754 -0.591 . . . . 0.0 109.434 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.52 72.47 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.899 -1.126 . . . . 0.0 110.471 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.97 -39.96 87.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.919 -1.113 . . . . 0.0 109.075 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.98 -37.95 74.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-O 121.208 0.528 . . . . 0.0 110.088 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -64.46 -39.98 94.85 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.253 -0.904 . . . . 0.0 109.288 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.0 mtp -67.22 -46.01 75.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.699 -0.625 . . . . 0.0 112.022 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 46.4 t -69.31 -34.15 61.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.825 -1.172 . . . . 0.0 110.277 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -60.76 -40.02 90.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 108.749 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -54.25 -34.65 61.25 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.704 ' HB2' ' HZ2' ' X' ' 111' ' ' LYS . . . -60.12 -40.34 89.39 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.138 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.8 m -59.97 -34.83 73.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.529 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.67 -39.72 81.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.0 109.198 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -40.02 87.82 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.195 -0.941 . . . . 0.0 108.521 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.85 -39.97 16.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.943 . . . . 0.0 109.796 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.255 -0.903 . . . . 0.0 108.821 -179.135 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.248 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 3' ' ' LEU . 6.6 m 59.8 21.99 10.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.436 -0.79 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.12 15.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.246 -0.909 . . . . 0.0 108.825 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.9 tp -59.98 -31.63 70.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.572 -0.705 . . . . 0.0 110.156 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.01 -40.02 87.79 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.776 -1.203 . . . . 0.0 110.297 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.7 mppt? -71.52 -39.63 70.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.343 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.17 83.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.072 -1.017 . . . . 0.0 111.042 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.1 mtt -62.4 -40.03 95.19 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 110.006 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.38 -38.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.86 95.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.953 -0.467 . . . . 0.0 111.777 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.96 -40.02 87.63 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.497 -1.377 . . . . 0.0 108.128 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -67.43 -37.74 79.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 O-C-N 121.68 -0.638 . . . . 0.0 111.004 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -67.12 -40.56 86.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.603 -1.311 . . . . 0.0 111.924 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -40.72 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.02 -1.05 . . . . 0.0 110.17 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.416 ' CD2' ' CD1' ' B' ' 70' ' ' PHE . 83.1 t80 -59.98 -39.94 87.43 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.163 -0.961 . . . . 0.0 109.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -64.34 -28.36 69.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.875 -1.14 . . . . 0.0 110.549 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -60.07 -42.69 95.11 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 110.217 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -89.27 -40.65 12.68 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 112.617 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -60.08 -40.03 88.13 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.818 -1.176 . . . . 0.0 110.369 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.4 -10.88 82.92 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.93 -48.95 79.62 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.106 -1.232 . . . . 0.0 109.843 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -85.8 -73.5 0.45 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.219 -0.926 . . . . 0.0 109.152 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.56 -25.09 0.05 OUTLIER Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.385 -1.388 . . . . 0.0 110.474 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.2 m-20 -80.41 84.43 6.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.849 -1.383 . . . . 0.0 109.683 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -70.05 -39.05 75.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.545 -0.722 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -88.61 -0.4 57.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.209 -0.932 . . . . 0.0 110.73 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 20.7 ttpp -148.41 155.09 40.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.805 -1.184 . . . . 0.0 109.987 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 tp -124.32 136.65 54.27 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' B' ' 30' ' ' SER . 61.8 tttp -106.78 153.28 22.7 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.001 -1.062 . . . . 0.0 110.251 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -23.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.048 -1.033 . . . . 0.0 108.679 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.408 ' N ' ' C ' ' B' ' 28' ' ' LYS . 93.7 p -76.82 -48.43 18.55 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.53 -36.17 80.48 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 41.1 tp -60.0 -43.55 95.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.807 -0.558 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 65.2 tttm -61.81 -40.02 93.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.089 -1.007 . . . . 0.0 110.911 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.34 -33.81 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.937 -1.102 . . . . 0.0 108.729 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' B' ' 39' ' ' GLU . 3.9 tt -65.89 -51.95 54.28 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.058 -1.027 . . . . 0.0 108.977 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.401 ' N ' HD23 ' B' ' 35' ' ' LEU . 91.0 mt -70.03 -42.68 79.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.15 -0.969 . . . . 0.0 111.648 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.571 ' C ' HD22 ' B' ' 38' ' ' ASN . 18.8 t-20 -70.11 -39.96 75.2 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 112.236 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.674 ' N ' HD22 ' B' ' 38' ' ' ASN . 1.5 m120 -98.28 -39.95 8.58 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.323 -0.861 . . . . 0.0 112.54 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' B' ' 35' ' ' LEU . 74.9 tt0 -70.01 -34.14 72.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.455 -1.403 . . . . 0.0 108.191 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.9 41.05 3.27 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.967 -0.458 . . . . 0.0 110.005 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 t -60.6 -51.0 71.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.032 -1.042 . . . . 0.0 110.287 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -108.66 -22.58 12.18 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.352 -0.842 . . . . 0.0 110.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.95 -30.05 67.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.513 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.466 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.4 tp -135.69 -144.27 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.152 -0.968 . . . . 0.0 109.191 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.466 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -95.22 109.62 21.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.07 147.35 53.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.404 HG21 HG23 ' B' ' 53' ' ' VAL . 8.5 mt -95.2 142.16 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.044 -1.035 . . . . 0.0 109.937 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -19.5 11.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.732 -0.605 . . . . 0.0 110.27 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.04 148.41 51.88 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.305 -0.872 . . . . 0.0 110.702 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 7.5 mm100 -69.69 -24.86 63.64 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 7.9 pt-20 -60.69 -40.08 90.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 111.244 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 68.3 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.905 -1.122 . . . . 0.0 108.836 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.404 HG23 HG21 ' B' ' 47' ' ' ILE . 65.5 t -65.76 -39.95 86.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.583 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.59 -39.95 89.96 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.525 -0.735 . . . . 0.0 110.003 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -66.98 -39.97 87.31 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.0 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.613 ' O ' ' N ' ' B' ' 61' ' ' ASP . 85.5 mmm -70.07 -30.34 67.56 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.438 -0.905 . . . . 0.0 108.983 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -57.45 -39.44 76.32 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.055 -1.653 . . . . 0.0 106.805 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.8 m -76.8 -45.01 30.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 mt -88.0 -17.03 32.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.862 -1.149 . . . . 0.0 110.764 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.3 t0 -79.74 60.57 3.44 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.67 -39.2 79.97 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.03 -16.15 63.12 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.21 31.74 81.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 8.0 p-10 -107.61 7.63 28.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -1.152 . . . . 0.0 110.286 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.04 1.07 87.24 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 14.3 pt-20 -140.42 145.93 37.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.56 139.59 49.46 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -78.09 169.79 17.69 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.503 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.416 ' CD1' ' CD2' ' B' ' 14' ' ' PHE . 15.4 t80 -52.63 -40.84 63.18 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 121.247 -0.908 . . . . 0.0 109.011 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.78 -40.06 95.74 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.129 -0.982 . . . . 0.0 110.634 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.52 -39.97 92.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.511 -1.368 . . . . 0.0 109.631 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -66.17 -33.14 75.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 109.314 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.94 -36.7 77.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.625 -0.672 . . . . 0.0 109.444 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -32.57 72.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.461 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.406 ' CE2' HG21 ' B' ' 80' ' ' VAL . 82.0 t80 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.879 -1.138 . . . . 0.0 109.07 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.402 HG23 ' H ' ' B' ' 77' ' ' VAL . 1.5 t -59.99 -37.86 74.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.222 0.534 . . . . 0.0 110.038 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.1 t -64.52 -39.99 94.8 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.0 mtp -66.99 -46.14 75.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.739 -0.601 . . . . 0.0 112.219 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' B' ' 83' ' ' ALA . 46.6 t -69.52 -34.0 59.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 O-C-N 120.911 -1.118 . . . . 0.0 110.219 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.88 -40.0 91.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.3 -0.875 . . . . 0.0 108.703 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -54.34 -34.8 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -60.04 -40.25 88.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.156 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 78.5 m -60.01 -34.93 74.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 109.551 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.64 -39.58 80.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -39.96 87.6 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.22 -0.925 . . . . 0.0 108.621 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.96 -39.92 16.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 109.73 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.496 1.846 0 O-C-N 121.238 -0.914 . . . . 0.0 108.838 -179.165 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.402 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 48.0 mtt-85 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' X' ' 109' ' ' MET . 54.1 t60 -60.51 -39.96 89.68 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.84 . . . . 0.0 108.895 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.11 -30.2 64.17 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.05 -40.4 89.28 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.7 tp -65.84 -38.43 88.85 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.237 -0.914 . . . . 0.0 109.556 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -48.55 -24.55 1.35 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.801 -1.187 . . . . 0.0 109.832 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -40.69 -48.06 2.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.047 -1.033 . . . . 0.0 109.998 -179.174 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.704 ' HZ2' ' HB2' ' A' ' 83' ' ' ALA . 1.3 ptpm? -74.22 -32.34 62.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.884 . . . . 0.0 110.54 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 66.8 p -60.02 -36.98 78.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.733 -1.229 . . . . 0.0 108.24 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.542 -0.724 . . . . 0.0 . 179.509 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 55.4 t60 -60.41 -40.04 89.53 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.307 -0.871 . . . . 0.0 108.891 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.04 -30.34 64.15 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.97 -40.52 89.35 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.689 -1.204 . . . . 0.0 107.826 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.54 -38.92 91.01 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.276 -0.89 . . . . 0.0 109.613 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -48.23 -24.47 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.769 -1.207 . . . . 0.0 109.868 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.544 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -40.71 -48.15 2.93 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.032 -1.042 . . . . 0.0 109.975 -179.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 1.4 ptpm? -74.22 -32.4 62.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 110.505 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 57.8 p -59.96 -36.49 77.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.678 -1.263 . . . . 0.0 108.364 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.571 -0.705 . . . . 0.0 . 179.533 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m 60.03 27.9 17.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.455 -0.778 . . . . 0.0 109.783 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -75.73 -9.92 59.0 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.767 0.794 . . . . 0.0 108.989 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.5 tp -46.17 -19.66 0.08 Allowed 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.603 -0.686 . . . . 0.0 110.594 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' GLU . 96.6 mt-10 -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.533 -1.354 . . . . 0.0 110.208 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -32.69 37.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.067 -1.021 . . . . 0.0 110.047 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.82 76.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.282 -0.886 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 mtt -68.18 -39.94 82.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.887 -1.133 . . . . 0.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.32 -39.76 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.729 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.9 74.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.517 -0.739 . . . . 0.0 110.975 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -40.04 87.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.87 -37.32 72.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.277 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.09 -46.04 90.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.952 -1.093 . . . . 0.0 111.008 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -40.01 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.035 -1.04 . . . . 0.0 108.753 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.97 -39.95 75.57 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -70.01 -24.13 63.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.149 -0.969 . . . . 0.0 110.223 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.98 -44.23 94.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.788 -1.195 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -91.46 -34.91 14.63 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.894 -1.129 . . . . 0.0 111.697 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 p -60.03 -39.74 86.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.09 -1.006 . . . . 0.0 109.858 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.16 -9.06 86.99 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 34.1 ttt-85 -60.0 -46.33 89.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.043 -1.269 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -115.01 170.86 8.03 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.554 -0.716 . . . . 0.0 109.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.71 -29.63 26.15 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.431 -0.793 . . . . 0.0 111.421 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 64.9 m-20 -69.92 68.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.614 -1.521 . . . . 0.0 109.535 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.0 mtmt -63.25 -39.95 96.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.524 -0.735 . . . . 0.0 110.56 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -98.47 4.29 48.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.124 -0.985 . . . . 0.0 110.869 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -140.17 157.3 45.82 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.941 -1.1 . . . . 0.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.8 123.65 46.47 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.8 tttp -96.35 150.6 20.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.832 -1.167 . . . . 0.0 108.75 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' LYS . 29.8 ttmt -38.39 -27.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.513 0.673 . . . . 0.0 109.961 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -79.91 -49.97 11.14 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.1 mt-10 -64.67 -38.21 90.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.0 -42.37 94.13 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.553 -0.717 . . . . 0.0 109.651 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.92 -39.99 91.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.178 -0.951 . . . . 0.0 110.206 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 49.6 mt-10 -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 109.116 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.726 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.4 tm? -59.99 -49.89 75.9 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 108.264 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.91 -48.29 45.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 112.323 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.4 t-20 -71.2 -40.66 71.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.028 -1.045 . . . . 0.0 113.322 -176.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.438 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 4.6 m120 -96.55 -31.62 12.67 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.121 -0.987 . . . . 0.0 113.583 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -82.01 -10.0 59.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 119.983 -1.698 . . . . 0.0 109.185 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.56 56.25 1.57 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.6 -0.687 . . . . 0.0 109.252 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -60.02 -39.93 87.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 110.196 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.17 -16.67 1.06 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.071 -1.018 . . . . 0.0 110.795 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.78 -41.35 97.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.708 -1.245 . . . . 0.0 109.244 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.28 159.99 39.27 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -58.66 111.35 1.23 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.598 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.6 149.33 48.26 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.788 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -79.96 140.01 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.095 -1.003 . . . . 0.0 108.655 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -109.12 -10.76 14.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.674 -0.641 . . . . 0.0 111.642 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.4 tp10 -139.93 141.02 36.52 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.927 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.416 HE21 ' HB ' ' A' ' 53' ' ' VAL . 56.8 tp60 -60.19 -29.81 68.95 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.686 -0.634 . . . . 0.0 110.625 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 pt-20 -59.91 -38.37 82.13 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.048 -1.033 . . . . 0.0 110.408 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -59.96 -39.99 81.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.849 -1.157 . . . . 0.0 108.199 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.416 ' HB ' HE21 ' A' ' 50' ' ' GLN . 45.8 t -62.97 -38.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.846 -0.534 . . . . 0.0 109.76 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 55.1 t0 -63.26 -38.7 92.18 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.824 0.821 . . . . 0.0 109.586 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -67.23 -40.03 86.32 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -64.69 -30.53 50.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.4 mtt -69.18 -34.37 74.83 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.42 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.23 -40.0 76.64 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.035 -1.666 . . . . 0.0 107.503 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.81 -41.06 13.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.638 -0.664 . . . . 0.0 111.031 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.0 tp -86.3 -20.25 28.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.053 -1.03 . . . . 0.0 110.585 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 57' ' ' MET . 33.8 t0 -82.03 65.64 7.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.48 -40.02 77.69 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.316 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.0 p-10 -82.39 -9.09 59.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.03 41.26 97.89 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 38.3 p-10 -106.34 1.98 26.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.249 -1.148 . . . . 0.0 108.868 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.06 11.97 83.85 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 48.0 mt-10 -149.69 130.71 14.37 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.2 p -88.69 125.61 34.93 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.556 -1.34 . . . . 0.0 108.64 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.45 160.01 33.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 110.216 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.36 -38.11 12.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.382 -0.824 . . . . 0.0 108.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.97 -39.69 75.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.41 -0.806 . . . . 0.0 110.071 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -68.33 -40.04 81.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.453 -1.405 . . . . 0.0 109.557 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.82 -33.11 74.95 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.079 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -39.8 86.39 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.41 0.624 . . . . 0.0 110.473 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.19 75.56 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.558 -1.339 . . . . 0.0 110.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.389 -0.819 . . . . 0.0 109.853 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -60.11 -39.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 O-C-N 121.713 -0.617 . . . . 0.0 110.256 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -66.15 -38.65 88.63 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.996 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.3 mtp -67.69 -40.67 84.33 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.411 -0.806 . . . . 0.0 111.507 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.03 -38.89 76.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 C-N-CA 118.571 -1.251 . . . . 0.0 109.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.07 -40.01 88.01 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -53.79 -37.85 63.92 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.92 81.54 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.8 t -60.0 -38.28 82.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 109.842 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.92 -39.96 87.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.899 -1.125 . . . . 0.0 108.348 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -38.57 82.8 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.09 -24.92 34.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 108.973 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.436 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 60.09 28.03 17.53 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.453 -0.779 . . . . 0.0 109.832 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -75.78 -9.51 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.706 0.765 . . . . 0.0 109.007 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -46.36 -19.75 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.566 -0.709 . . . . 0.0 110.643 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 2' ' ' GLU . 96.6 mt-10 -69.93 -40.15 75.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.625 -1.297 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -32.48 36.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 110.024 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -39.91 76.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.317 -0.865 . . . . 0.0 110.708 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.3 mtt -68.35 -39.95 81.7 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.99 -1.069 . . . . 0.0 110.01 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.2 -39.87 86.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 119.142 -1.023 . . . . 0.0 109.833 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.74 74.58 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.494 -0.754 . . . . 0.0 110.862 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.09 88.1 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.79 -37.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.32 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.06 -46.12 90.62 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.935 -1.103 . . . . 0.0 110.987 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -39.92 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.041 -1.037 . . . . 0.0 108.813 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.11 -40.02 76.21 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -69.99 -23.92 63.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.11 -0.994 . . . . 0.0 110.337 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.99 -44.15 94.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.652 -1.28 . . . . 0.0 109.88 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -91.44 -35.14 14.52 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.893 -1.129 . . . . 0.0 111.804 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.02 -39.62 86.48 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.068 -1.02 . . . . 0.0 109.81 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -9.19 86.89 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.49 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 33.3 ttt-85 -60.02 -46.43 89.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.116 -1.226 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.92 171.02 7.91 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.524 0.678 . . . . 0.0 109.618 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.73 -29.59 26.19 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.493 -0.754 . . . . 0.0 111.45 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD2' ' OE2' ' B' ' 31' ' ' GLU . 64.8 m-20 -69.92 68.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.614 -1.521 . . . . 0.0 109.506 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' B' ' 22' ' ' GLY . 50.8 mtmt -63.41 -39.93 95.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.455 -0.778 . . . . 0.0 110.5 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -98.35 3.62 48.58 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.19 -0.944 . . . . 0.0 110.902 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.95 157.2 46.07 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.033 -1.042 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.47 123.55 46.62 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.9 tttp -96.61 150.47 20.62 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.85 -1.157 . . . . 0.0 108.698 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.2 ttmt -38.2 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.5 0.667 . . . . 0.0 109.997 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.503 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.5 t -79.41 -50.0 11.48 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 28' ' ' LYS . 36.0 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.508 -0.745 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -61.1 -39.95 91.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -0.935 . . . . 0.0 110.188 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.49 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 49.8 mt-10 -63.13 -39.92 96.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.378 -0.826 . . . . 0.0 109.179 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.4 tm? -60.12 -49.84 76.06 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.758 -1.214 . . . . 0.0 108.243 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.1 mt -72.79 -48.31 46.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.625 -0.672 . . . . 0.0 112.395 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.432 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.5 t-20 -71.46 -40.52 70.25 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.012 -1.055 . . . . 0.0 113.309 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.432 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 4.8 m120 -96.62 -31.44 12.72 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.972 -1.08 . . . . 0.0 113.543 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.18 -9.91 59.34 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 119.959 -1.713 . . . . 0.0 109.174 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 36.3 mt -127.7 56.37 1.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.248 -0.907 . . . . 0.0 110.126 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.09 -16.58 1.08 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.178 -0.951 . . . . 0.0 110.866 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.92 -41.0 97.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.735 -1.228 . . . . 0.0 109.225 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -134.56 160.07 39.21 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -58.8 111.34 1.25 Allowed 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.662 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.59 149.02 48.61 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.2 mt -79.61 140.12 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.105 -0.997 . . . . 0.0 108.746 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.437 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -109.32 -10.49 14.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 111.568 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.439 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.7 tp10 -139.93 140.78 36.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.858 -1.151 . . . . 0.0 110.041 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.4 HE21 ' HB ' ' B' ' 53' ' ' VAL . 57.3 tp60 -60.02 -29.76 68.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.775 -0.578 . . . . 0.0 110.585 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.439 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.4 pt-20 -59.94 -38.42 82.37 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.993 -1.067 . . . . 0.0 110.387 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.11 -39.8 81.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.831 -1.168 . . . . 0.0 108.255 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.4 ' HB ' HE21 ' B' ' 50' ' ' GLN . 44.3 t -63.02 -38.33 81.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.809 -0.557 . . . . 0.0 109.814 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 54.8 t0 -63.3 -38.78 92.48 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.786 0.803 . . . . 0.0 109.567 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -67.23 -39.95 86.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.77 -30.6 50.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 2.4 mtt -68.87 -34.72 75.9 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.337 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.15 -40.07 76.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.935 -1.728 . . . . 0.0 107.546 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.68 -40.95 13.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.637 -0.665 . . . . 0.0 111.034 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -86.17 -20.29 28.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.518 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' B' ' 57' ' ' MET . 33.6 t0 -82.01 65.31 7.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.05 -40.09 76.15 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.345 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.0 p-10 -82.56 -9.0 59.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.082 -1.011 . . . . 0.0 109.204 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.75 41.33 97.49 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 37.9 p-10 -106.21 2.05 26.56 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.129 -1.218 . . . . 0.0 108.736 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.482 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.95 12.43 83.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 50.1 mt-10 -150.02 130.02 13.47 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 10.7 p -88.18 125.58 34.69 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.426 -1.421 . . . . 0.0 108.713 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.19 159.97 33.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 110.197 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -37.93 13.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.821 . . . . 0.0 108.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' B' ' 71' ' ' GLN . 14.3 pt20 -69.98 -39.73 75.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.32 -0.862 . . . . 0.0 110.08 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.41 -40.03 81.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.39 -1.444 . . . . 0.0 109.376 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -32.98 74.63 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 109.058 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -39.78 86.74 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.719 -0.613 . . . . 0.0 110.568 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.0 75.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 120.617 -1.302 . . . . 0.0 110.344 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -39.9 87.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.407 -0.808 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -39.15 79.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 O-C-N 121.731 -0.606 . . . . 0.0 110.25 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -65.96 -39.01 90.02 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.948 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.7 mtp -67.59 -40.99 84.78 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 111.538 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.03 -38.86 76.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.352 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.3 m -60.05 -40.04 88.04 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -53.96 -37.66 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.97 -38.34 82.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.493 -0.755 . . . . 0.0 110.064 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.85 -1.156 . . . . 0.0 108.354 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -82.08 -24.87 34.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 108.949 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.457 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.485 0.66 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.0 p-80 -59.79 -32.06 70.27 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.908 -1.12 . . . . 0.0 108.751 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.543 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.8 tttt -59.96 -31.85 70.27 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 25.9 ttpp -59.69 -40.08 86.7 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.82 -33.78 75.95 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.586 -0.696 . . . . 0.0 110.289 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -62.37 -24.46 67.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.634 -1.291 . . . . 0.0 110.117 -179.519 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.04 -35.62 5.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.981 -1.074 . . . . 0.0 109.93 -178.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.609 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.29 -35.12 41.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.844 -1.16 . . . . 0.0 108.815 178.608 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -58.58 -32.11 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.552 -0.717 . . . . 0.0 . 179.091 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.489 0.661 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.555 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.9 p-80 -59.83 -31.88 70.14 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.964 -1.085 . . . . 0.0 108.789 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.555 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.1 tttt -59.98 -31.86 70.3 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 26.2 ttpp -59.84 -40.0 87.04 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.86 -33.48 75.36 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.548 0.69 . . . . 0.0 110.364 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.512 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -62.48 -24.4 67.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.578 -1.327 . . . . 0.0 110.094 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.05 -35.97 5.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.943 -1.098 . . . . 0.0 109.818 -178.537 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.607 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -78.98 -34.29 44.36 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.84 -1.163 . . . . 0.0 109.016 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -30.93 69.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.556 -0.715 . . . . 0.0 . 179.134 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 2' ' ' GLU . 98.6 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.297 0.57 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.9 p 48.41 16.53 0.1 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.262 -0.899 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -73.28 -10.04 59.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.347 -0.846 . . . . 0.0 109.148 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 tp -43.05 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.594 -0.691 . . . . 0.0 110.238 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 2' ' ' GLU . 21.3 pt-20 -69.97 -36.58 75.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.92 -1.112 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -75.15 -31.69 61.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.742 -1.224 . . . . 0.0 109.219 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.87 -41.16 75.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 110.761 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -62.44 -40.37 96.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.056 . . . . 0.0 109.688 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.21 -37.99 80.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.563 0.697 . . . . 0.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.35 93.89 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.718 -0.614 . . . . 0.0 111.331 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.774 -1.204 . . . . 0.0 108.347 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.24 -39.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 O-C-N 121.548 -0.72 . . . . 0.0 110.943 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.58 -40.28 96.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.501 -1.374 . . . . 0.0 111.581 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -39.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.115 -0.991 . . . . 0.0 110.111 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.63 -39.95 86.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.984 -1.072 . . . . 0.0 108.959 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 108.842 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.473 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 2.6 tm0? -59.99 -41.85 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.612 -0.68 . . . . 0.0 110.828 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 61.5 m-85 -99.16 -24.53 14.84 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.009 -1.057 . . . . 0.0 112.039 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.923 -1.111 . . . . 0.0 109.472 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.11 -7.86 84.73 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -59.99 -47.84 84.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.058 -1.26 . . . . 0.0 109.152 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -115.13 156.08 25.91 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.97 -20.71 0.76 Allowed Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 8.5 m-20 -74.84 62.29 1.08 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.757 -1.437 . . . . 0.0 110.081 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 109.026 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.08 -20.21 56.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.746 -0.596 . . . . 0.0 111.893 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -149.44 161.76 41.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.553 -1.342 . . . . 0.0 110.737 -178.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.95 141.22 39.92 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.636 -0.665 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' SER . 8.0 mtpm? -107.3 152.32 24.29 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' LYS . 31.7 ttmt -40.97 -27.6 0.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.39 -0.819 . . . . 0.0 109.74 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LYS . 74.7 m -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 63.3 tt0 -70.03 -33.56 72.14 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.91 -40.97 95.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.593 -0.692 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 88.5 tttt -60.72 -39.9 90.3 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.602 -0.686 . . . . 0.0 110.142 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.48 -40.04 96.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.875 . . . . 0.0 109.047 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.4 tt -62.53 -49.98 73.17 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.007 -1.058 . . . . 0.0 108.981 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.81 -44.16 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.174 -0.953 . . . . 0.0 111.874 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 2.0 m-80 -68.54 -40.04 80.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.886 -1.134 . . . . 0.0 112.184 -176.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -98.56 -36.03 10.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.424 -0.797 . . . . 0.0 112.73 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 22.9 tt0 -70.01 -26.96 64.31 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.424 -1.423 . . . . 0.0 108.745 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.58 51.66 1.7 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.976 -1.078 . . . . 0.0 110.082 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -129.11 -18.6 3.68 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.367 -0.833 . . . . 0.0 109.879 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -64.91 -39.28 93.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.521 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.1 tp -127.8 -145.06 0.3 Allowed 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.216 -0.928 . . . . 0.0 109.395 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.7 tt0 -92.75 107.22 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.43 140.03 58.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -92.45 132.1 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 108.946 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -105.0 -26.12 12.28 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.85 140.02 52.36 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.573 0.701 . . . . 0.0 110.314 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -65.44 -21.04 66.61 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.2 pt-20 -60.08 -39.52 86.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.316 -0.865 . . . . 0.0 110.326 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 79.0 t -60.05 -39.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.996 -1.065 . . . . 0.0 108.155 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.96 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.23 -39.97 88.58 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.05 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.06 -39.96 86.98 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 122.238 1.018 . . . . 0.0 108.667 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.1 -28.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 mtt -69.74 -28.9 66.18 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.759 -0.777 . . . . 0.0 108.975 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.96 -39.94 87.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -84.85 -39.57 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.739 -0.601 . . . . 0.0 111.105 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 76' ' ' PHE . 3.9 mm? -88.15 -18.05 29.62 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.796 -1.19 . . . . 0.0 110.819 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.1 t0 -80.08 63.05 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.74 -36.53 76.79 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.745 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.5 -11.1 59.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.54 30.92 75.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.4 p-10 -107.82 6.16 27.19 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.072 -1.252 . . . . 0.0 109.973 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.72 10.63 86.02 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -140.25 143.0 35.73 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 4.9 p -108.92 126.6 53.25 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.061 -1.025 . . . . 0.0 108.623 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.2 t0 -73.07 168.42 19.09 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.796 -0.565 . . . . 0.0 109.639 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.555 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.5 t80 -54.26 -40.28 67.64 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 108.945 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.09 -39.66 86.8 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.03 -40.21 94.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.881 -1.137 . . . . 0.0 110.405 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.79 -36.63 82.85 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mmm -59.97 -39.1 84.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.296 0.569 . . . . 0.0 111.448 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.32 -35.2 77.44 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.549 -1.345 . . . . 0.0 110.764 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.624 ' HB2' HD11 ' A' ' 60' ' ' LEU . 47.2 t80 -60.1 -35.83 76.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.114 -0.991 . . . . 0.0 109.401 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.9 t -60.2 -39.98 82.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.974 0 O-C-N 121.634 -0.666 . . . . 0.0 109.759 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 42.4 m -60.9 -40.09 91.8 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.945 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 mtm -74.61 -42.01 59.39 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 118.799 -1.16 . . . . 0.0 111.525 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.25 -39.95 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.686 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.98 -39.47 85.8 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -54.38 -39.33 67.1 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.77 -33.72 72.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.675 -0.64 . . . . 0.0 109.63 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -59.94 -40.68 89.76 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 108.715 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -40.17 96.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.91 -39.51 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.615 0.721 . . . . 0.0 109.103 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.347 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.442 ' O ' ' N ' ' B' ' 2' ' ' GLU . 98.2 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.302 0.572 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.8 p 48.4 16.32 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -73.45 -9.49 58.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 109.169 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 tp -43.66 -21.98 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.489 -0.757 . . . . 0.0 110.246 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 2' ' ' GLU . 20.8 pt-20 -70.22 -36.53 74.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.877 -1.14 . . . . 0.0 110.888 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.77 -1.206 . . . . 0.0 109.207 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -41.16 75.84 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.823 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -62.29 -40.31 95.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.06 . . . . 0.0 109.975 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -37.76 79.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-O 121.469 0.652 . . . . 0.0 109.414 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.96 92.81 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.705 -0.622 . . . . 0.0 111.372 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.0 -39.89 87.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.723 -1.235 . . . . 0.0 108.261 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.22 -39.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.577 -0.702 . . . . 0.0 110.85 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.27 -40.54 97.7 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.547 -1.346 . . . . 0.0 111.592 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -39.03 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.193 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -59.78 -39.97 86.7 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 108.991 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.3 -24.52 67.68 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.088 -1.008 . . . . 0.0 108.824 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.482 ' OE1' ' CE1' ' B' ' 17' ' ' TYR . 2.8 tm0? -60.02 -41.79 92.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.512 -0.742 . . . . 0.0 110.78 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.482 ' CE1' ' OE1' ' B' ' 16' ' ' GLN . 61.3 m-85 -99.18 -24.49 14.84 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.91 -1.119 . . . . 0.0 112.03 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.986 -1.071 . . . . 0.0 109.452 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.59 85.62 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' B' ' 20' ' ' ARG . 39.9 ttt-85 -60.03 -47.69 84.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.259 . . . . 0.0 109.177 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.97 155.74 26.37 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.1 -20.14 0.73 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 8.5 m-20 -75.19 62.47 1.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.834 -1.392 . . . . 0.0 109.924 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -61.2 -39.97 92.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -0.884 . . . . 0.0 109.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -77.31 -20.25 55.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.73 -0.606 . . . . 0.0 111.894 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -149.15 161.67 41.52 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.533 -1.354 . . . . 0.0 110.772 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.96 140.88 40.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.717 -0.615 . . . . 0.0 110.488 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.9 mtpm? -107.3 152.1 24.59 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.7 ttmt -40.59 -27.51 0.05 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.383 -0.823 . . . . 0.0 109.821 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -79.7 -48.79 13.09 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.677 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 63.5 tt0 -70.01 -33.85 72.54 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.66 -41.42 95.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 109.537 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.524 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 88.6 tttt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.184 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.54 -39.95 95.74 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.302 -0.874 . . . . 0.0 109.116 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.7 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.1 tt -62.59 -50.04 72.87 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 108.982 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.77 -44.29 76.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.204 -0.935 . . . . 0.0 111.953 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' B' ' 33' ' ' LYS . 2.2 m-80 -68.52 -39.97 80.98 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.962 -1.086 . . . . 0.0 112.158 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -98.63 -36.04 10.0 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 112.733 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 22.8 tt0 -69.98 -27.03 64.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.404 -1.435 . . . . 0.0 108.722 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -125.7 51.68 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -60.07 -40.82 90.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.011 -1.056 . . . . 0.0 110.068 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -129.5 -18.49 3.55 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.388 -0.82 . . . . 0.0 109.981 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -39.07 91.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.491 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.449 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.1 tp -127.75 -145.02 0.3 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.395 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.449 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -92.83 107.09 18.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.892 . . . . 0.0 109.155 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.47 140.01 58.0 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -92.51 132.16 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 108.946 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -105.03 -25.96 12.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.363 -0.836 . . . . 0.0 109.095 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -121.04 139.88 52.7 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.568 0.699 . . . . 0.0 110.291 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -65.43 -21.13 66.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.02 -39.61 86.47 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 0.0 110.364 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.94 -40.05 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.87 -39.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.41 -39.96 89.27 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.791 0.805 . . . . 0.0 110.166 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.306 1.05 . . . . 0.0 108.605 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.7 t -67.21 -28.26 41.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.556 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.1 mtt -69.87 -28.86 66.0 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.666 -0.814 . . . . 0.0 108.941 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -84.66 -39.6 18.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.779 -0.576 . . . . 0.0 111.117 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 76' ' ' PHE . 3.9 mm? -88.14 -17.98 29.79 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.778 -1.201 . . . . 0.0 110.881 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.0 t0 -80.33 63.32 4.76 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -59.95 -36.5 77.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.764 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.0 m-20 -79.58 -10.97 59.89 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.45 76.91 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -108.27 6.52 26.66 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.141 -1.211 . . . . 0.0 109.961 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.449 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.55 10.49 86.15 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -140.36 142.92 35.51 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 4.9 p -108.84 126.61 53.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.013 -1.055 . . . . 0.0 108.462 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 53.3 t0 -73.22 168.4 19.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.785 -0.572 . . . . 0.0 109.58 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.561 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.5 t80 -54.1 -40.33 67.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.222 -0.924 . . . . 0.0 108.984 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.35 -39.09 85.72 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.032 -1.042 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.407 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 42.0 mt-10 -62.31 -40.16 95.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.8 -1.187 . . . . 0.0 110.459 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.01 -36.54 82.36 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 108.94 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -60.01 -39.06 84.51 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.22 0.533 . . . . 0.0 111.424 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.74 -34.75 76.14 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.562 -1.336 . . . . 0.0 110.764 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.615 ' HB2' HD11 ' B' ' 60' ' ' LEU . 47.6 t80 -60.07 -36.07 76.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.104 -0.997 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.418 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.8 t -59.98 -40.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 121.526 -0.734 . . . . 0.0 109.633 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 39.3 m -60.83 -40.13 91.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 111.034 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mtm -74.61 -42.18 59.1 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.453 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.09 -39.79 85.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.129 -0.982 . . . . 0.0 109.631 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.3 m -60.07 -39.62 86.69 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.53 -39.53 67.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.45 85.8 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' B' ' 88' ' ' PHE . 11.5 t -60.0 -33.69 72.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.682 -0.636 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.03 -40.54 89.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 108.713 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.62 -40.44 96.9 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -70.84 -38.98 73.24 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.609 0.719 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.346 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' X' ' 104' ' ' ARG . 51.5 mtt-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.341 0.591 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.7 p-80 -59.43 -34.98 73.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.666 -1.271 . . . . 0.0 108.94 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.557 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 45.7 mtpt -60.03 -28.75 68.0 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 83.9 tttt -57.97 -39.95 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.02 -28.59 62.45 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.708 -0.62 . . . . 0.0 110.208 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.56 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -55.29 -24.78 30.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.37 -1.457 . . . . 0.0 109.304 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.528 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -53.92 -27.36 30.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.538 -1.351 . . . . 0.0 109.304 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.528 ' NZ ' ' CZ ' ' X' ' 110' ' ' PHE . 0.2 OUTLIER -69.99 -39.89 75.64 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.636 -1.29 . . . . 0.0 107.948 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 48.5 p -59.94 -34.59 73.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.364 -0.835 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 52.0 mtt-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.309 0.576 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.564 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.8 p-80 -59.28 -35.13 73.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.702 -1.249 . . . . 0.0 108.989 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.0 mtpt -60.0 -28.59 67.84 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 83.8 tttt -57.9 -39.79 78.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.43 -28.29 61.9 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.647 -0.658 . . . . 0.0 110.108 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -55.44 -24.71 32.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.424 -1.422 . . . . 0.0 109.252 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -53.98 -27.41 31.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.521 -1.362 . . . . 0.0 109.388 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' NZ ' ' CZ ' ' Y' ' 110' ' ' PHE . 0.2 OUTLIER -70.04 -39.94 75.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.742 -1.224 . . . . 0.0 107.927 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -59.99 -33.94 72.64 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.524 -0.87 . . . . 0.0 108.961 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.349 -0.844 . . . . 0.0 . 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m 56.85 30.55 18.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 0.0 109.348 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -74.8 5.48 4.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.318 -0.864 . . . . 0.0 108.869 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.419 HD23 HD21 ' B' ' 40' ' ' LEU . 32.7 tp -47.5 -21.01 0.28 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.669 -0.645 . . . . 0.0 109.936 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 109.5 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.469 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.47 -39.69 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 0.0 110.086 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -66.1 -43.18 87.99 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 111.381 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.8 mtt -63.85 -39.95 95.41 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.967 -1.083 . . . . 0.0 109.596 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.94 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.67 -0.644 . . . . 0.0 109.856 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -67.62 -35.05 78.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.583 -0.698 . . . . 0.0 111.306 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -40.02 87.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.619 -1.3 . . . . 0.0 107.728 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.3 mt -69.59 -39.98 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.852 -0.53 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.89 -45.17 95.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.697 -1.252 . . . . 0.0 111.844 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -39.87 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.855 -1.153 . . . . 0.0 109.751 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 22.0 t80 -59.14 -39.94 83.94 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.014 -1.054 . . . . 0.0 109.379 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.73 -31.17 72.27 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.147 -0.97 . . . . 0.0 110.001 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' OE1' ' SD ' ' B' ' 0' ' ' MET . 71.9 tp60 -60.01 -41.34 91.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 110.683 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -91.96 -35.75 13.81 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.835 -1.166 . . . . 0.0 112.672 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.449 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 65.7 m -59.99 -40.38 88.95 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.89 -1.131 . . . . 0.0 110.555 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.23 -13.75 73.25 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.34 -46.41 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.075 -1.25 . . . . 0.0 110.474 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.99 -77.54 0.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.066 -1.021 . . . . 0.0 110.401 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 -29.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.275 -1.441 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -81.84 95.79 7.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.805 -1.409 . . . . 0.0 108.712 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.99 -40.01 75.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.91 . . . . 0.0 111.246 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.59 5.53 45.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.03 -1.044 . . . . 0.0 111.525 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -146.64 149.33 33.3 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.681 -1.262 . . . . 0.0 110.526 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 mt -117.44 137.69 52.34 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.721 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' SER . 8.3 mtmp? -102.04 155.5 18.14 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 pttm -49.99 -22.63 1.64 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 28' ' ' LYS . 69.9 m -75.74 -50.74 14.4 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.438 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.68 -35.74 80.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.721 -0.612 . . . . 0.0 109.61 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.96 -40.01 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.668 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.98 -35.95 79.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 108.876 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.711 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.6 tm? -60.74 -49.98 75.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.74 -1.225 . . . . 0.0 108.438 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.5 mt -73.99 -48.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 111.798 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 113.055 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.7 -35.76 10.46 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.145 -0.972 . . . . 0.0 113.183 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 40' ' ' LEU . 26.8 tt0 -80.0 -10.36 59.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.112 -1.617 . . . . 0.0 109.11 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.2 mt -134.48 54.77 1.93 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.454 -0.779 . . . . 0.0 109.09 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -61.75 -39.99 93.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 110.436 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -131.49 -19.9 2.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.266 -0.896 . . . . 0.0 110.169 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.95 -40.03 94.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.994 -1.067 . . . . 0.0 109.825 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' HG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -130.93 167.06 19.62 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.259 -0.901 . . . . 0.0 108.836 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -52.62 106.04 0.14 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.16 140.03 58.17 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -82.26 138.06 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.95 -17.62 13.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.689 -0.632 . . . . 0.0 110.074 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -136.01 142.48 44.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.308 -0.87 . . . . 0.0 109.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -20.33 66.29 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.95 -38.88 83.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.617 -0.677 . . . . 0.0 109.844 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' X' ' 105' ' ' HIS . 58.9 t -60.0 -39.21 79.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.44 -31.78 54.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.981 -0.449 . . . . 0.0 109.832 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.29 81.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -70.13 -39.98 75.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.249 1.023 . . . . 0.0 108.643 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.1 -31.32 53.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -36.91 84.23 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.369 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 119.882 -1.761 . . . . 0.0 107.253 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -77.94 -44.99 25.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.581 -0.699 . . . . 0.0 111.444 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 24.2 mt -90.0 -14.99 32.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.836 -1.165 . . . . 0.0 111.245 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.6 t0 -80.84 61.09 4.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 72.9 m-20 -74.2 -11.11 60.2 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.26 29.93 72.63 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -106.8 3.84 26.9 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.238 -1.154 . . . . 0.0 109.686 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 81.06 2.25 90.37 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -137.48 136.65 37.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.578 -0.954 . . . . 0.0 108.667 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.52 136.23 43.64 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.8 t0 -78.15 170.01 17.32 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.243 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.9 t80 -51.18 -39.96 57.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -61.3 -50.44 72.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.812 . . . . 0.0 111.026 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 81.7 mt-10 -61.42 -40.03 92.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -1.0 . . . . 0.0 110.417 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.97 -37.36 87.14 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.348 -0.845 . . . . 0.0 109.639 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 82.5 mmm -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.464 0.65 . . . . 0.0 110.48 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.27 79.59 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.01 -1.057 . . . . 0.0 110.957 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.02 -35.43 75.07 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.268 -0.895 . . . . 0.0 109.967 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.1 t -66.2 -37.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -65.19 -39.96 93.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.07 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 30.1 mtp -71.36 -42.48 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.089 -1.044 . . . . 0.0 111.095 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.05 -39.65 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.3 m -60.05 -39.11 84.83 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.32 -38.99 60.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.91 83.89 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.6 m -60.0 -36.75 77.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.782 -1.199 . . . . 0.0 109.408 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.89 -33.52 76.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.064 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.07 -30.03 21.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.363 -0.836 . . . . 0.0 109.672 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 108.633 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 16' ' ' GLN . 15.1 mmt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.239 0.542 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m 57.03 30.28 17.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -74.67 5.29 5.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 108.926 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 40' ' ' LEU . 31.0 tp -46.95 -21.35 0.21 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.663 -0.648 . . . . 0.0 109.917 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.92 -40.03 75.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.987 -1.071 . . . . 0.0 109.615 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.483 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -73.6 -39.63 64.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.517 -0.739 . . . . 0.0 110.104 -179.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -66.25 -43.19 87.26 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.303 -0.873 . . . . 0.0 111.276 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -63.72 -40.01 95.7 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.941 -1.099 . . . . 0.0 109.562 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.8 -37.76 81.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.694 -0.629 . . . . 0.0 109.834 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -67.79 -34.91 77.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.597 -0.69 . . . . 0.0 111.381 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.41 -1.316 . . . . 0.0 107.665 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.53 -40.0 79.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.923 -0.485 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.87 -45.2 95.49 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.738 -1.226 . . . . 0.0 111.856 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -39.64 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.829 -1.169 . . . . 0.0 109.751 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.439 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 22.1 t80 -59.22 -39.97 84.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.109 -0.995 . . . . 0.0 109.326 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.195 -0.941 . . . . 0.0 110.037 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -41.42 91.83 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -91.85 -35.84 13.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.842 -1.161 . . . . 0.0 112.723 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.439 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 61.5 m -60.04 -40.11 88.27 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.792 -1.192 . . . . 0.0 110.541 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.14 -14.18 72.5 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.19 -46.19 90.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.06 -1.259 . . . . 0.0 110.598 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.03 -78.04 0.38 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.092 -1.005 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.98 -30.48 0.02 OUTLIER Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.737 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -81.57 95.95 7.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.749 -1.442 . . . . 0.0 108.754 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.368 -0.833 . . . . 0.0 111.265 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -99.69 5.34 45.78 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.027 -1.046 . . . . 0.0 111.459 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -146.64 149.31 33.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.476 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 mt -117.38 137.7 52.3 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.727 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 8.4 mtmp? -102.0 155.65 18.04 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.04 -22.57 1.66 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.8 m -75.79 -50.66 14.57 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.501 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.77 -35.76 80.85 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.697 -0.627 . . . . 0.0 109.515 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.186 -0.946 . . . . 0.0 109.682 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.09 -35.62 78.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 108.928 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.717 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.93 -49.95 75.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.751 -1.218 . . . . 0.0 108.351 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -74.07 -48.47 37.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.521 -0.737 . . . . 0.0 111.863 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -67.77 -40.0 84.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.089 -1.007 . . . . 0.0 113.018 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -97.69 -35.84 10.44 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.113 -0.992 . . . . 0.0 113.177 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.513 ' O ' HD23 ' B' ' 40' ' ' LEU . 26.4 tt0 -80.0 -10.37 59.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.087 -1.633 . . . . 0.0 109.136 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.2 mt -134.44 54.89 1.92 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 0.0 109.084 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -61.79 -40.01 93.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.97 . . . . 0.0 110.427 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -131.59 -19.68 2.67 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.337 -0.852 . . . . 0.0 110.139 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -64.94 -40.02 94.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.816 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' B' ' 45' ' ' GLU . 3.9 tp -131.02 166.89 20.02 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.308 -0.87 . . . . 0.0 108.811 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.446 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 86.5 tt0 -52.54 106.13 0.14 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.295 -0.878 . . . . 0.0 109.431 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.97 140.03 58.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mm -82.33 138.25 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.061 -1.024 . . . . 0.0 109.241 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -17.8 13.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.658 -0.651 . . . . 0.0 110.084 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -135.95 142.52 44.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.317 -0.864 . . . . 0.0 109.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.27 66.25 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -59.93 -38.95 83.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.544 -0.722 . . . . 0.0 109.827 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' Y' ' 105' ' ' HIS . 60.6 t -60.05 -39.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.36 -31.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.807 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.07 80.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -70.19 -40.01 74.87 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.374 1.083 . . . . 0.0 108.462 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.19 -31.19 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.65 -36.86 84.21 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.26 -40.02 73.54 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 119.914 -1.742 . . . . 0.0 107.274 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.3 m -77.96 -45.04 25.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.638 -0.664 . . . . 0.0 111.408 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 23.9 mt -89.96 -14.96 32.96 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.137 . . . . 0.0 111.288 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.5 t0 -80.83 60.98 4.29 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -59.94 -39.59 86.08 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 73.0 m-20 -74.33 -11.04 60.15 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.16 30.01 72.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 8.5 p30 -106.8 3.94 27.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.223 -1.163 . . . . 0.0 109.713 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 81.01 2.03 90.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -137.32 136.64 38.16 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.6 -0.941 . . . . 0.0 108.723 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.6 136.16 43.83 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 50.3 t0 -77.82 170.11 17.14 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.582 -0.699 . . . . 0.0 109.29 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.8 t80 -51.39 -40.01 58.38 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -61.22 -50.4 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 111.086 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 81.7 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 110.475 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.04 -37.43 87.42 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.327 -0.858 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.4 mmm -59.99 -37.38 79.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.598 -0.689 . . . . 0.0 110.47 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.54 80.38 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 120.984 -1.073 . . . . 0.0 110.963 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.05 -35.63 75.56 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.275 -0.89 . . . . 0.0 109.939 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.477 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.0 OUTLIER -65.96 -37.13 79.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.305 0 O-C-N 121.876 -0.515 . . . . 0.0 110.34 -178.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 m -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.071 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.7 mtp -71.33 -42.39 68.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.087 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.13 -39.59 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.216 -0.927 . . . . 0.0 110.117 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -60.04 -39.28 85.38 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -52.13 -39.2 59.56 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.75 83.52 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.0 m -60.04 -36.79 78.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.94 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.78 -1.2 . . . . 0.0 109.351 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.87 -33.18 75.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 0.0 109.111 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -87.28 -30.21 21.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.557 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 108.657 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 49.8 mtt-85 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.982 0.896 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.524 ' CD2' HG22 ' A' ' 52' ' ' VAL . 2.0 m-70 -60.2 -38.45 83.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.75 -29.43 62.55 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.99 -40.07 87.9 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.134 -0.978 . . . . 0.0 108.575 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.438 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.1 mt -75.13 -24.76 58.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.951 -1.093 . . . . 0.0 109.283 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.97 -24.6 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.86 -1.775 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 1.1 p90 -45.56 -47.19 14.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.069 -1.02 . . . . 0.0 110.089 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 6.3 pttt -68.28 -35.4 77.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.378 -0.827 . . . . 0.0 110.19 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 63.5 p -60.65 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.835 -1.166 . . . . 0.0 109.13 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' Y' ' 104' ' ' ARG . 49.7 mtt-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 122.044 0.926 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' B' ' 52' ' ' VAL . 2.1 m-70 -60.16 -38.6 83.67 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.212 -0.93 . . . . 0.0 108.617 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -56.74 -29.4 62.5 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.03 -39.98 87.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.039 -1.038 . . . . 0.0 108.544 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.1 mt -75.18 -24.71 57.89 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.969 -1.082 . . . . 0.0 109.256 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.02 -24.64 64.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 119.846 -1.784 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 1.1 p90 -45.58 -47.23 14.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.035 -1.04 . . . . 0.0 110.105 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.579 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 6.4 pttt -68.24 -35.86 78.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.864 -1.148 . . . . 0.0 109.235 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.441 -0.787 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 2' ' ' GLU . 27.9 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.296 0.569 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.07 12.62 0.09 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.261 -0.899 . . . . 0.0 110.082 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 5' ' ' LYS . 98.9 mt-10 -72.72 1.92 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.9 tp -43.06 -26.46 0.15 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.976 -0.453 . . . . 0.0 110.465 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 8' ' ' VAL . 11.7 pt-20 -70.0 -39.23 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 108.5 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.04 -39.05 75.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.766 -0.584 . . . . 0.0 109.963 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.03 85.22 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 110.859 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.5 mtt -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.184 -0.948 . . . . 0.0 109.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 4' ' ' GLU . 75.3 t -63.94 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.31 -0.869 . . . . 0.0 110.135 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.16 68.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.28 -0.888 . . . . 0.0 110.258 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -69.16 -37.74 76.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.181 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.02 -43.15 95.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.001 -1.062 . . . . 0.0 111.1 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -43.23 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.935 -1.103 . . . . 0.0 110.742 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -39.96 87.72 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.947 -1.096 . . . . 0.0 109.287 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.09 -36.41 77.35 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.529 -0.732 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.87 -39.87 86.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.914 -1.116 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.94 -26.42 18.43 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.68 -1.263 . . . . 0.0 111.992 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 t -60.52 -40.66 92.26 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 109.367 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.58 30.88 3.36 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.63 -60.77 2.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.935 -1.332 . . . . 0.0 110.004 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -107.15 -15.48 14.66 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.34 -0.28 5.13 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -81.71 67.27 7.62 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.858 -1.377 . . . . 0.0 108.508 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.871 . . . . 0.0 110.332 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -80.42 -14.13 58.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.215 -0.928 . . . . 0.0 111.539 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 39.8 pttt -142.84 162.5 35.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.884 -1.135 . . . . 0.0 109.546 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.12 115.24 15.5 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.13 -0.981 . . . . 0.0 108.851 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.9 mttm -79.79 155.67 27.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.727 -1.233 . . . . 0.0 110.444 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -49.12 -21.8 0.82 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 28' ' ' LYS . 89.6 p -76.09 -49.95 16.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.826 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.31 -30.36 68.41 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.09 -44.08 95.06 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.14 -40.05 88.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.461 -0.775 . . . . 0.0 110.488 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.36 -40.01 95.0 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.067 -1.021 . . . . 0.0 109.39 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 4.7 tt -62.23 -50.1 73.11 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.216 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.48 HG23 HD12 ' A' ' 40' ' ' LEU . 61.4 mt -69.59 -44.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 111.447 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 8.8 m120 -67.94 -39.94 83.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.723 -1.235 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.66 -29.81 12.46 Favored 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tp10 -79.11 -9.53 59.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.057 -1.652 . . . . 0.0 108.22 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 36' ' ' ILE . 19.8 mt -127.27 59.73 1.42 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -60.03 -41.54 92.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.174 -0.954 . . . . 0.0 110.028 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -145.75 7.51 1.1 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 0.0 109.436 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -90.03 -10.55 44.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.139 -0.976 . . . . 0.0 110.185 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 tp -159.42 164.53 34.52 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.96 118.98 7.41 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.595 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.87 165.96 12.07 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.394 -0.816 . . . . 0.0 109.143 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.486 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 50.2 mm -95.94 119.9 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -12.29 22.03 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.094 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 94.1 mt-10 -140.02 147.63 40.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.299 -0.875 . . . . 0.0 110.231 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.87 64.51 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 21.9 pt-20 -59.93 -38.3 81.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.078 -1.014 . . . . 0.0 109.525 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' A' ' 47' ' ' ILE . 57.6 t -60.0 -38.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.9 t -65.49 -38.03 81.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.26 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.81 -36.58 82.69 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.73 -39.99 84.23 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.69 -34.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.0 mmm -68.84 -29.78 68.18 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.522 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -57.41 -36.16 70.96 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 119.978 -1.701 . . . . 0.0 106.476 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -78.86 -46.38 18.73 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 16.5 mt -88.23 -14.62 38.02 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.782 -1.199 . . . . 0.0 110.547 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.63 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 60.2 t0 -79.98 62.89 4.33 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.752 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 45.7 p-10 -82.75 -3.09 56.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.203 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.24 34.7 90.26 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.883 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 p-10 -106.29 1.08 25.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.01 -1.288 . . . . 0.0 110.397 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.63 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.36 11.75 84.8 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -140.01 128.78 23.22 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -105.8 130.45 53.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.355 -0.84 . . . . 0.0 108.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.44 166.04 22.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.439 -0.788 . . . . 0.0 110.371 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.87 -35.76 34.4 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -69.99 -37.9 75.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.095 -1.003 . . . . 0.0 109.601 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 45.9 mt-10 -70.04 -41.26 74.45 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.679 -1.263 . . . . 0.0 109.662 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' ' 77' ' ' VAL . 70.2 t80 -70.07 -26.27 63.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 108.944 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -37.33 79.38 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.6 73.69 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.989 -1.084 . . . . 0.0 109.969 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.98 -40.05 91.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 110.461 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.74 -37.2 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 109.805 -178.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -66.52 -39.95 88.91 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.93 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.53 ' O ' ' NZ ' ' X' ' 111' ' ' LYS . 84.5 mtp -62.26 -47.25 85.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 0.0 110.973 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.98 -34.26 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.12 -0.987 . . . . 0.0 109.698 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -39.38 85.6 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 m -59.0 -39.98 83.47 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.92 87.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 0.0 109.052 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m -59.35 -34.23 72.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 15.4 t-80 -60.02 -40.72 90.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.563 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.18 -45.22 93.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -71.82 -40.01 69.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.383 -0.823 . . . . 0.0 109.439 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.843 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.455 ' O ' ' N ' ' B' ' 2' ' ' GLU . 28.2 ttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.293 0.568 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.03 12.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.115 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' B' ' 5' ' ' LYS . 97.8 mt-10 -72.31 1.58 7.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.288 -0.883 . . . . 0.0 108.777 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp -42.98 -26.61 0.15 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 122.002 -0.436 . . . . 0.0 110.506 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.451 ' O ' HG23 ' B' ' 8' ' ' VAL . 11.8 pt-20 -70.03 -39.19 75.91 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.824 -1.172 . . . . 0.0 108.472 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.0 -39.25 75.99 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.778 -0.576 . . . . 0.0 109.934 179.647 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.92 85.21 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 110.882 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.13 -39.19 82.78 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.727 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 4' ' ' GLU . 69.1 t -64.0 -40.06 87.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 110.07 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.31 69.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.363 -0.836 . . . . 0.0 110.25 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -39.98 87.49 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.22 -37.78 76.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.98 -43.19 95.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.024 -1.048 . . . . 0.0 111.139 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -43.23 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.976 -1.078 . . . . 0.0 110.687 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.864 -1.147 . . . . 0.0 109.229 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -60.2 -36.32 77.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.546 -0.721 . . . . 0.0 111.071 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.91 -40.0 87.31 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.83 -1.169 . . . . 0.0 110.844 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -91.72 -26.11 18.76 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.699 -1.251 . . . . 0.0 112.159 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -60.63 -40.9 93.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.826 -1.171 . . . . 0.0 109.347 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.26 30.65 3.3 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.54 -60.8 2.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.911 -1.346 . . . . 0.0 110.022 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -107.37 -15.76 14.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.547 -0.721 . . . . 0.0 109.093 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.4 -1.55 4.88 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.9 m-20 -81.37 67.43 7.31 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.88 -1.365 . . . . 0.0 108.646 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -69.98 -39.96 75.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.43 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -80.41 -13.99 58.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.186 -0.946 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.5 pttt -142.98 162.36 35.66 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.896 -1.128 . . . . 0.0 109.572 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.93 115.03 15.35 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.213 -0.93 . . . . 0.0 108.973 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 30' ' ' SER . 59.6 mttm -79.74 155.64 27.86 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.773 -1.205 . . . . 0.0 110.491 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -49.0 -21.89 0.76 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.462 ' N ' ' C ' ' B' ' 28' ' ' LYS . 91.8 p -75.94 -49.94 16.35 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.914 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.35 -30.36 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.02 -44.19 94.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.491 -0.756 . . . . 0.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.5 -39.95 94.75 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.099 -1.0 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 4.6 tt -62.33 -49.94 73.6 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.834 -1.166 . . . . 0.0 109.276 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.466 HG23 HD12 ' B' ' 40' ' ' LEU . 62.0 mt -69.59 -44.48 79.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.19 -0.944 . . . . 0.0 111.352 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 8.8 m120 -67.84 -39.96 83.79 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.696 -1.252 . . . . 0.0 111.47 -178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.71 -30.07 12.29 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tp10 -78.96 -9.24 59.46 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.08 -1.638 . . . . 0.0 108.287 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.466 HD12 HG23 ' B' ' 36' ' ' ILE . 17.8 mt -127.77 59.81 1.46 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -59.92 -41.59 92.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 109.947 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -145.8 7.39 1.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.01 -10.37 45.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.138 -0.976 . . . . 0.0 110.118 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tp -159.55 164.42 34.31 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.94 118.88 7.26 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.612 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.76 166.04 11.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.147 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.479 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 48.5 mm -96.1 119.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -12.4 22.06 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.096 -177.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.434 ' OE1' ' OE2' ' B' ' 51' ' ' GLU . 93.4 mt-10 -140.0 147.67 40.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.317 -0.864 . . . . 0.0 110.21 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -22.97 64.55 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' OE1' ' B' ' 49' ' ' GLU . 22.0 pt-20 -59.9 -38.32 81.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.085 -1.009 . . . . 0.0 109.512 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' B' ' 47' ' ' ILE . 58.6 t -60.0 -38.84 78.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.265 -0.897 . . . . 0.0 108.801 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 t -65.38 -38.51 82.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 121.769 -0.582 . . . . 0.0 110.119 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.35 -36.72 83.6 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.386 -0.821 . . . . 0.0 110.022 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.8 -40.03 83.95 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.73 -34.43 70.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.597 ' O ' ' N ' ' B' ' 61' ' ' ASP . 78.9 mmm -69.06 -29.73 67.92 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.334 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.02 -36.7 70.76 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.4 m -78.6 -46.5 19.18 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.373 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 15.0 mt -88.0 -14.94 37.77 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.852 -1.155 . . . . 0.0 110.578 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 60.7 t0 -79.94 62.63 4.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -58.54 -39.93 81.59 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.813 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 45.0 p-10 -82.69 -3.17 55.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.09 -1.006 . . . . 0.0 109.263 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.77 90.23 Favored Glycine 0 N--CA 1.497 2.728 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.827 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 50.2 p-10 -106.48 1.01 25.17 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.036 -1.273 . . . . 0.0 110.416 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.616 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.24 11.89 84.6 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -140.05 128.58 22.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.77 130.69 53.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.259 -0.9 . . . . 0.0 108.811 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.65 165.92 22.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.459 -0.775 . . . . 0.0 110.372 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -50.71 -36.01 34.05 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.86 -37.93 76.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.086 -1.009 . . . . 0.0 109.587 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 45.7 mt-10 -69.97 -41.33 74.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.635 -1.291 . . . . 0.0 109.732 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.451 ' CE2' HG22 ' B' ' 77' ' ' VAL . 70.6 t80 -70.03 -26.13 63.9 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.087 -1.008 . . . . 0.0 108.851 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.57 79.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.63 73.85 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.129 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.89 -40.0 91.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.083 -1.01 . . . . 0.0 110.575 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -60.87 -37.0 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.747 -0.596 . . . . 0.0 109.847 -178.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -66.44 -39.99 89.22 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.394 -0.923 . . . . 0.0 108.964 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.54 ' O ' ' NZ ' ' Y' ' 111' ' ' LYS . 84.8 mtp -62.51 -47.38 84.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.671 -0.643 . . . . 0.0 111.006 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.86 -34.22 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.094 -1.004 . . . . 0.0 109.642 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.49 85.75 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.803 0.811 . . . . 0.0 108.88 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -58.77 -39.98 82.6 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.236 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -59.25 -34.21 71.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.432 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 15.1 t-80 -60.04 -40.73 90.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.071 -1.018 . . . . 0.0 109.542 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.11 -44.99 94.46 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -72.08 -40.0 68.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.93 0.871 . . . . 0.0 108.792 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.55 -38.28 86.86 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.99 -33.37 71.87 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.7 -40.06 86.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.757 -1.214 . . . . 0.0 109.138 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.51 -30.35 69.15 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.153 -0.967 . . . . 0.0 109.292 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.427 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.6 mmt -58.19 -24.5 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 110.012 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.8 p90 -40.02 -49.9 2.53 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.174 -0.954 . . . . 0.0 110.829 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.556 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.19 -25.52 39.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.717 -1.24 . . . . 0.0 109.991 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 73.2 p -59.72 -38.39 81.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.521 -1.362 . . . . 0.0 108.241 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.303 -1.417 0 O-C-N 121.344 -0.847 . . . . 0.0 . 179.124 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.524 ' CG ' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.903 0.858 . . . . 0.0 108.799 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.419 ' CD2' HG22 ' B' ' 52' ' ' VAL . 4.5 m-70 -61.27 -38.45 86.8 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.99 -33.4 71.92 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -59.66 -40.05 86.47 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.769 -1.207 . . . . 0.0 109.109 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.88 -29.87 68.25 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.113 -0.992 . . . . 0.0 109.272 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.429 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 15.4 mmt -58.54 -24.52 60.85 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.856 -1.152 . . . . 0.0 109.945 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.7 p90 -39.97 -49.87 2.49 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.895 . . . . 0.0 110.836 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.16 -25.51 39.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.65 -1.281 . . . . 0.0 110.03 -179.493 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 74.6 p -59.9 -37.6 79.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.57 -1.331 . . . . 0.0 108.417 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.304 -1.373 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.116 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.404 ' C ' ' N ' ' A' ' 2' ' ' GLU . 48.9 ttp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.265 0.555 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.77 16.8 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.315 -0.865 . . . . 0.0 110.052 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 0' ' ' MET . 21.5 pt-20 -74.65 19.35 0.14 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.1 tp -60.0 -36.13 76.54 Favored 'General case' 0 C--O 1.204 -1.317 0 O-C-N 121.584 -0.698 . . . . 0.0 109.311 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.0 -38.5 82.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.426 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -63.91 -39.98 95.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.41 -0.806 . . . . 0.0 109.685 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.02 83.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.307 -0.871 . . . . 0.0 110.789 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.42 -39.99 95.11 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.083 -1.01 . . . . 0.0 109.382 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.48 -39.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.662 -0.649 . . . . 0.0 109.293 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.684 -0.635 . . . . 0.0 111.544 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.91 -40.1 87.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.721 -1.237 . . . . 0.0 108.383 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.9 mt -68.23 -38.08 79.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.875 -0.516 . . . . 0.0 111.224 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -68.62 -40.02 80.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.613 -1.304 . . . . 0.0 111.657 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.41 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.14 -37.59 77.65 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.11 -26.94 65.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.694 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.04 -42.91 95.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.744 -1.222 . . . . 0.0 110.131 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 66.6 m-85 -91.78 -40.32 11.29 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.91 -1.119 . . . . 0.0 112.018 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -60.11 -40.12 88.6 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.116 -0.99 . . . . 0.0 111.188 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.12 -9.04 62.86 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.498 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' A' ' 34' ' ' GLU . 39.5 ttm180 -69.63 -43.04 73.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.944 -1.327 . . . . 0.0 110.16 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASP . 87.2 tt0 -113.79 152.89 29.97 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.624 -0.673 . . . . 0.0 109.722 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 -19.51 0.04 OUTLIER Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.15 58.46 0.7 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.8 -1.412 . . . . 0.0 109.229 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -61.0 -40.78 94.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.054 -1.029 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -99.39 0.04 41.94 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.23 -0.919 . . . . 0.0 110.061 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' ASP . 97.5 mttt -141.38 169.03 18.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.044 -1.035 . . . . 0.0 110.561 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' OE1' ' A' ' 31' ' ' GLU . 62.1 mt -135.86 137.37 41.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.652 -0.655 . . . . 0.0 110.293 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 30' ' ' SER . 31.2 mmtp -100.3 153.47 19.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -47.22 -23.38 0.53 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.788 -1.195 . . . . 0.0 108.79 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 47.6 t -74.45 -55.19 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.73 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.7 tt0 -68.63 -29.52 68.04 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.792 -1.192 . . . . 0.0 108.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.71 -40.29 94.53 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.38 -39.97 89.17 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.369 -0.832 . . . . 0.0 111.138 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 9.7 mp0 -68.37 -33.46 74.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.896 -1.128 . . . . 0.0 108.616 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.1 tt -62.75 -50.96 69.02 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.987 -1.071 . . . . 0.0 108.317 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -76.3 -47.54 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.163 -0.96 . . . . 0.0 111.833 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.497 HD22 ' HG3' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -65.07 -40.05 94.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.274 -0.891 . . . . 0.0 112.712 -176.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.98 -37.73 10.07 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.088 -1.008 . . . . 0.0 112.533 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 62.3 tt0 -68.03 -40.54 82.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.609 -1.307 . . . . 0.0 109.161 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.6 64.03 0.8 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.64 -0.662 . . . . 0.0 109.282 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -60.12 -40.07 88.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 110.095 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -136.38 -18.6 1.48 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.218 -0.926 . . . . 0.0 110.562 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.04 -39.99 91.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.897 -1.127 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -127.49 159.72 33.67 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.2 pt-20 -53.86 113.02 1.06 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.66 -1.216 . . . . 0.0 108.847 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' HG3' HD22 ' A' ' 37' ' ' ASN . 88.1 tt0 -66.46 150.01 49.57 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 109.512 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mt -88.04 139.95 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.103 -0.998 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -114.81 -13.01 12.04 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.542 -0.724 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.4 tp10 -138.32 135.81 35.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.204 -0.935 . . . . 0.0 109.611 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.787 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -63.61 -22.03 66.68 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.4 -0.812 . . . . 0.0 110.571 -178.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 19.3 pt-20 -60.02 -39.14 84.83 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.709 -1.245 . . . . 0.0 109.686 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 69.0 t -59.94 -40.02 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.67 -39.93 84.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.265 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.28 -39.94 92.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.286 -0.884 . . . . 0.0 109.776 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.572 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 34.1 ttmt -64.69 -39.99 94.61 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.936 0.874 . . . . 0.0 108.647 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 t -66.21 -30.75 50.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 82.4 mmm -69.98 -26.85 64.29 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.672 -0.811 . . . . 0.0 108.985 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -39.96 87.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -77.79 -41.39 37.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.775 -0.578 . . . . 0.0 111.174 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 76' ' ' PHE . 24.2 mt -88.23 -17.66 30.32 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.797 -1.189 . . . . 0.0 111.02 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.5 t0 -80.98 58.63 3.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.97 -33.18 71.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.94 -8.89 59.28 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.92 32.21 79.01 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 7.2 p30 -107.56 3.67 25.16 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.232 -1.158 . . . . 0.0 110.435 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.479 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.07 4.46 89.7 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.93 140.58 36.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.629 -0.924 . . . . 0.0 108.683 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.68 138.54 45.89 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 121.817 0.818 . . . . 0.0 109.03 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 37.8 t0 -81.55 170.18 16.18 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.371 0.605 . . . . 0.0 109.984 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 6.9 t80 -53.9 -39.92 66.19 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.25 -50.93 71.71 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.365 -0.835 . . . . 0.0 110.901 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 40.1 mt-10 -61.52 -40.18 93.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.079 -1.013 . . . . 0.0 110.897 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.8 -36.55 84.25 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.418 -0.801 . . . . 0.0 109.702 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.3 mmm -60.0 -38.61 83.14 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.29 0.567 . . . . 0.0 111.033 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.29 74.61 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.622 -1.298 . . . . 0.0 111.223 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.628 ' HB2' HD21 ' A' ' 60' ' ' LEU . 45.2 t80 -66.36 -29.55 69.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.112 -0.993 . . . . 0.0 110.463 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.4 t -66.42 -38.88 82.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.389 -0.819 . . . . 0.0 109.446 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -63.06 -40.49 97.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 mtm -70.8 -40.9 72.24 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.465 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.521 ' HA ' ' HZ3' ' X' ' 111' ' ' LYS . 66.7 t -65.62 -37.93 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.779 -1.2 . . . . 0.0 109.932 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -59.98 -38.42 82.49 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.0 m -58.47 -39.96 81.41 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.92 84.11 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.563 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 7.7 t -59.96 -37.89 80.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.713 -0.617 . . . . 0.0 110.272 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -59.8 -40.0 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.032 -1.042 . . . . 0.0 108.84 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -66.17 -34.13 77.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 109.299 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -92.49 -23.61 19.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.339 -0.85 . . . . 0.0 111.196 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 3.2 m-85 . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.772 -1.205 . . . . 0.0 109.109 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.307 0.575 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.546 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.9 16.93 0.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -74.83 19.54 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.5 tp -60.09 -36.14 76.75 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.97 -38.91 83.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.197 -0.939 . . . . 0.0 109.379 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.63 -40.02 95.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.283 -0.885 . . . . 0.0 109.749 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.85 -40.08 83.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.15 -40.04 94.63 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.111 -0.993 . . . . 0.0 109.435 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.65 -39.89 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 95.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.659 -0.651 . . . . 0.0 111.527 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.748 -1.22 . . . . 0.0 108.39 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.46 -38.13 78.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.821 -0.549 . . . . 0.0 111.161 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.39 -40.11 81.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.688 -1.257 . . . . 0.0 111.645 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.8 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.902 . . . . 0.0 109.665 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -58.75 -37.74 76.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.437 -0.789 . . . . 0.0 109.055 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -68.99 -27.13 65.42 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.292 -0.88 . . . . 0.0 110.671 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.99 -42.74 94.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.68 -1.263 . . . . 0.0 110.152 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.425 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 66.0 m-85 -91.93 -40.21 11.27 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.936 -1.102 . . . . 0.0 112.053 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.3 -40.11 89.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 111.227 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.2 -8.95 62.95 Favored Glycine 0 N--CA 1.492 2.396 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.467 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.414 HH12 ' HB3' ' B' ' 34' ' ' GLU . 41.0 ttm180 -69.78 -42.9 73.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.901 -1.352 . . . . 0.0 110.031 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 23' ' ' ASP . 84.8 tt0 -113.48 152.98 29.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.667 -0.646 . . . . 0.0 109.708 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.24 -18.9 0.04 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.5 m-20 -74.3 58.15 0.71 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.827 -1.396 . . . . 0.0 109.209 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -60.52 -40.92 93.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.085 -1.009 . . . . 0.0 110.19 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -99.4 0.01 41.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.206 -0.934 . . . . 0.0 110.201 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 97.1 mttt -141.17 168.99 18.46 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.122 -0.986 . . . . 0.0 110.678 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' B' ' 27' ' ' LEU . 59.1 mt -135.85 137.21 41.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.685 -0.634 . . . . 0.0 110.351 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' B' ' 29' ' ' LYS . 30.5 mmtp -100.21 153.53 19.2 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 50.9 pttt -47.32 -23.38 0.56 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.846 -1.159 . . . . 0.0 108.796 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.46 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 47.5 t -74.34 -55.21 6.27 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.695 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 31.8 tt0 -68.51 -29.78 68.45 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.876 -1.14 . . . . 0.0 108.076 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.87 -40.05 94.01 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.28 -40.0 88.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 111.116 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 9.9 mp0 -68.44 -33.48 74.27 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.922 -1.111 . . . . 0.0 108.608 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.69 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.0 tt -62.6 -51.24 68.09 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 118.887 -1.125 . . . . 0.0 108.258 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -76.17 -47.55 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.841 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.484 HD22 ' HG3' ' B' ' 46' ' ' GLU . 0.9 OUTLIER -65.2 -40.0 93.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 0.0 112.706 -176.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -38.15 10.03 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.059 -1.025 . . . . 0.0 112.488 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 63.5 tt0 -67.68 -40.34 84.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.537 -1.352 . . . . 0.0 109.28 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.5 63.56 0.79 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.565 -0.709 . . . . 0.0 109.338 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -59.99 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 110.207 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.4 -18.82 1.46 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.185 -0.947 . . . . 0.0 110.457 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.929 -1.107 . . . . 0.0 109.945 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.57 159.78 33.57 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 11.1 pt-20 -53.83 112.97 1.04 Allowed 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.807 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.484 ' HG3' HD22 ' B' ' 37' ' ' ASN . 87.9 tt0 -66.45 149.99 49.59 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.397 -0.815 . . . . 0.0 109.516 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.02 140.02 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.182 -0.948 . . . . 0.0 109.983 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -114.91 -12.95 11.98 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.482 -0.761 . . . . 0.0 109.385 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 48.8 tp10 -138.43 135.66 35.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.794 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -63.25 -22.38 66.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.366 -0.834 . . . . 0.0 110.61 -178.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 19.2 pt-20 -59.95 -39.07 84.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.729 -1.232 . . . . 0.0 109.621 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.0 -40.03 81.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.57 -40.08 85.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.77 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.641 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 34.1 ttmt -64.51 -40.04 94.9 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.5 t -66.12 -30.68 50.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.4 mmm -69.95 -27.16 64.52 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.042 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.82 -39.98 86.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -77.8 -41.31 37.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.727 -0.608 . . . . 0.0 111.208 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' B' ' 76' ' ' PHE . 24.2 mt -88.21 -17.88 29.89 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.789 -1.195 . . . . 0.0 110.992 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -81.02 58.9 3.61 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -60.06 -33.51 72.15 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 68.4 m-20 -78.68 -8.88 59.12 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.84 32.02 77.96 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 7.2 p30 -107.35 3.65 25.56 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.279 -1.13 . . . . 0.0 110.415 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.06 4.58 89.72 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.97 140.61 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.639 -0.918 . . . . 0.0 108.686 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 138.37 46.22 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.357 -0.84 . . . . 0.0 109.019 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.0 t0 -81.27 170.43 16.07 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.406 0.622 . . . . 0.0 109.938 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 6.8 t80 -54.25 -40.01 67.34 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.14 -50.87 72.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 40.1 mt-10 -61.6 -40.09 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.031 -1.043 . . . . 0.0 110.823 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.74 -36.73 84.83 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.415 -0.803 . . . . 0.0 109.693 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.04 -38.55 83.06 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.3 0.571 . . . . 0.0 111.038 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.36 74.86 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.677 -1.265 . . . . 0.0 111.175 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.647 ' HB2' HD21 ' B' ' 60' ' ' LEU . 48.4 t80 -66.43 -29.47 69.62 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.083 -1.011 . . . . 0.0 110.429 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.4 t -66.33 -39.03 83.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -63.37 -40.15 96.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 0.0 110.336 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 5.9 mtm -70.8 -40.88 72.27 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.13 -0.982 . . . . 0.0 111.451 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.514 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 65.7 t -65.59 -37.94 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.792 -1.192 . . . . 0.0 109.829 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -59.95 -38.61 82.94 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 m -58.29 -40.02 80.84 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.34 85.6 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 8.4 t -59.87 -37.64 79.92 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.767 -0.583 . . . . 0.0 110.204 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.87 -40.01 87.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.928 -1.108 . . . . 0.0 108.789 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.24 -34.0 77.03 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.455 -0.778 . . . . 0.0 109.257 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -92.58 -23.5 19.02 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.387 -0.821 . . . . 0.0 111.326 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 3.2 m-85 . . . . . 0 N--CA 1.503 2.21 0 O-C-N 120.769 -1.207 . . . . 0.0 109.033 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.457 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.7 0.286 . . . . 0.0 110.617 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.662 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.3 p-80 -60.89 -40.08 91.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.625 -1.297 . . . . 0.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.662 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.7 ttpt -60.88 -37.59 82.71 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.601 0.715 . . . . 0.0 109.553 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.31 -39.96 76.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.119 -0.988 . . . . 0.0 109.265 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.756 HD11 ' NZ ' ' X' ' 111' ' ' LYS . 10.2 tp -71.73 -26.41 62.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.268 -0.895 . . . . 0.0 109.612 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.43 ' O ' ' C ' ' X' ' 110' ' ' PHE . 17.3 mmt -57.45 -24.61 56.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.928 -1.107 . . . . 0.0 109.595 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -40.0 -49.56 2.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.756 ' NZ ' HD11 ' X' ' 108' ' ' LEU . 9.4 ptpt -73.35 -32.71 64.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 79.6 p -59.98 -37.91 81.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.471 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.571 -0.706 . . . . 0.0 . 178.501 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.471 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.675 0.274 . . . . 0.0 110.738 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.659 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.5 p-80 -60.85 -40.1 91.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.736 -1.228 . . . . 0.0 109.247 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.659 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.5 ttpt -60.7 -37.43 81.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.569 -0.707 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.59 -40.04 78.14 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.192 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.753 HD11 ' NZ ' ' Y' ' 111' ' ' LYS . 9.4 tp -71.52 -26.58 62.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.317 -0.864 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.438 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 17.4 mmt -57.37 -24.57 56.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.174 . . . . 0.0 109.638 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.585 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.6 p90 -40.08 -49.5 2.57 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.384 -0.822 . . . . 0.0 110.103 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.753 ' NZ ' HD11 ' Y' ' 108' ' ' LEU . 9.6 ptpt -73.2 -33.16 65.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 77.0 p -60.04 -37.08 78.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.976 -1.077 . . . . 0.0 108.587 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.527 -0.733 . . . . 0.0 . 178.327 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.421 ' O ' ' OG ' ' A' ' 1' ' ' SER . 67.5 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 0' ' ' MET . 5.2 p 61.79 25.65 15.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.242 -0.911 . . . . 0.0 109.508 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -76.29 -9.64 58.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.48 -0.763 . . . . 0.0 109.55 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' GLU . 22.8 tp -42.35 -24.15 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.476 -0.765 . . . . 0.0 110.378 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' GLU . 14.0 tm-20 -69.16 -39.86 78.54 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.001 -1.062 . . . . 0.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -73.01 -33.1 65.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.854 -1.154 . . . . 0.0 109.506 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -41.51 76.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 110.861 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.34 -40.02 95.06 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 109.777 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.61 -36.92 78.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.646 -0.659 . . . . 0.0 109.63 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.31 88.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.588 -0.695 . . . . 0.0 111.334 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.99 -39.81 87.02 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.327 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.87 -39.94 82.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -60.48 -40.04 89.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.742 -1.224 . . . . 0.0 111.236 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -32.57 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.149 -0.969 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' A' ' 18' ' ' SER . 84.9 t80 -57.42 -46.39 83.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.131 -0.981 . . . . 0.0 109.193 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -76.73 -22.07 54.37 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.6 -41.92 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.13 -0.981 . . . . 0.0 111.011 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -119.8 -25.05 5.97 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 120.985 -1.072 . . . . 0.0 111.319 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 78.4 p -63.29 -39.97 96.06 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.745 -1.222 . . . . 0.0 109.916 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.68 -1.22 53.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.85 -45.98 90.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.122 -1.222 . . . . 0.0 109.67 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -115.09 171.93 7.37 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-O 121.61 0.719 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -52.98 -30.36 37.3 Favored Glycine 0 N--CA 1.493 2.47 0 O-C-N 121.504 -0.747 . . . . 0.0 111.356 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.9 m-20 -68.72 46.97 0.06 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.594 -1.533 . . . . 0.0 109.658 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' GLY . 7.5 ttpm? -66.68 -38.78 87.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.923 -1.111 . . . . 0.0 109.534 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -77.82 -15.46 59.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.463 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' O ' ' O ' ' A' ' 23' ' ' ASP . 52.6 pttt -140.8 154.19 46.13 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.797 -1.189 . . . . 0.0 109.304 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.6 110.03 22.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.093 -1.005 . . . . 0.0 109.997 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.8 tttp -81.75 152.41 27.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.767 -1.208 . . . . 0.0 108.245 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.45 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.088 -1.008 . . . . 0.0 108.735 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LYS . 91.0 p -73.96 -47.84 34.65 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.647 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.88 -34.43 73.55 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.93 -40.65 89.64 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.53 87.01 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 109.542 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.08 -39.82 93.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.468 HD22 ' O ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -60.07 -50.01 75.39 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.453 HG21 ' CD1' ' A' ' 47' ' ' ILE . 96.1 mt -74.49 -46.98 41.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 121.241 -0.912 . . . . 0.0 113.459 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -78.53 -43.21 27.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.702 -1.249 . . . . 0.0 113.026 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' N ' HD22 ' A' ' 38' ' ' ASN . 3.2 m120 -95.98 -32.94 12.35 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -86.12 -11.01 53.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.281 -1.512 . . . . 0.0 110.648 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -113.33 53.9 0.75 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.254 -0.904 . . . . 0.0 109.147 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 43' ' ' PHE . 9.4 p -57.94 100.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.909 . . . . 0.0 109.531 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 55.5 -2.65 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.672 -0.642 . . . . 0.0 110.692 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.0 t80 -69.9 -38.52 76.33 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.881 -1.137 . . . . 0.0 107.975 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -129.76 -144.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.0 tt0 -93.96 106.65 18.61 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.124 -0.985 . . . . 0.0 108.725 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -68.41 136.8 53.86 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.04 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 36' ' ' ILE . 64.4 mt -92.9 135.53 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.683 ' NZ ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -109.58 -23.21 11.59 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 110.73 -177.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.3 tp10 -120.81 136.95 54.77 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -60.65 -25.84 66.62 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.652 -0.655 . . . . 0.0 110.724 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.6 pt-20 -59.95 -37.08 78.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.941 -1.099 . . . . 0.0 110.053 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.13 -39.94 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.906 -1.121 . . . . 0.0 108.075 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -65.57 -33.87 66.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 121.863 -0.523 . . . . 0.0 110.071 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.86 -38.32 86.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.973 0.892 . . . . 0.0 109.667 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.02 -39.6 75.69 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.73 -30.64 50.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.68 -39.98 71.71 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.491 -1.38 . . . . 0.0 107.74 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -79.36 -42.92 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.563 -0.711 . . . . 0.0 111.619 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 76' ' ' PHE . 10.8 mt -88.41 -16.64 32.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.823 -1.173 . . . . 0.0 110.908 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.1 t0 -80.68 58.6 3.33 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -60.03 -38.43 82.7 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 1.4 m-20 -73.49 -11.1 60.34 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.19 28.81 67.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.5 p-10 -107.11 4.93 27.41 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -1.117 . . . . 0.0 109.97 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.68 2.57 85.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.2 mt-10 -135.99 132.29 36.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.776 -0.837 . . . . 0.0 108.888 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.34 44.83 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.48 164.93 22.03 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.32 -0.863 . . . . 0.0 109.329 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 3.2 t80 -49.18 -39.99 31.41 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -61.87 -46.84 87.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.45 -0.781 . . . . 0.0 110.464 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 36.2 mt-10 -59.97 -40.17 88.16 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.807 -178.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -67.89 -36.45 80.26 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.088 -1.008 . . . . 0.0 109.077 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.434 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 82.1 mmm -60.08 -39.65 86.82 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.675 -0.641 . . . . 0.0 110.701 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -32.36 72.78 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.782 -1.199 . . . . 0.0 110.936 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.612 ' HB2' HD21 ' A' ' 60' ' ' LEU . 33.5 t80 -61.43 -38.26 86.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.895 -1.128 . . . . 0.0 109.717 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.7 -38.03 77.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.7 p -62.01 -40.01 94.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.184 -0.948 . . . . 0.0 109.369 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.1 mtp -70.12 -46.56 64.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.571 -0.706 . . . . 0.0 111.71 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.43 -38.0 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.267 -0.895 . . . . 0.0 110.11 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.2 m -60.05 -39.97 87.83 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.42 -39.4 60.91 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.76 86.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.9 m -59.75 -33.15 71.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.516 -0.74 . . . . 0.0 109.665 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.99 -40.08 87.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.953 -1.092 . . . . 0.0 108.83 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.6 -37.96 83.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.37 -0.831 . . . . 0.0 109.712 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -93.81 -21.44 19.28 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.212 -0.93 . . . . 0.0 110.787 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' CYS . 36.6 t80 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.866 -1.146 . . . . 0.0 110.4 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.8 p 61.83 25.63 15.44 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 109.593 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -76.35 -9.32 58.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.488 -0.758 . . . . 0.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 tp -42.47 -24.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 2' ' ' GLU . 14.1 tm-20 -69.07 -39.95 78.79 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -73.01 -33.36 65.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.93 -1.106 . . . . 0.0 109.496 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -41.56 76.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.412 -0.805 . . . . 0.0 110.915 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.4 mtt -64.23 -40.02 95.18 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.007 -1.058 . . . . 0.0 109.813 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.7 -36.75 78.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 121.597 -0.69 . . . . 0.0 109.618 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.44 88.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 111.329 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.81 -40.12 87.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.766 -1.209 . . . . 0.0 108.443 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.74 -39.87 82.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -60.55 -40.19 90.67 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.664 -1.273 . . . . 0.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.93 -32.51 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.159 -0.963 . . . . 0.0 109.445 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.45 ' O ' ' OG ' ' B' ' 18' ' ' SER . 85.2 t80 -57.38 -46.28 83.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.261 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -76.71 -22.35 54.02 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.28 -0.887 . . . . 0.0 110.749 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.26 -42.32 73.38 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.055 -1.028 . . . . 0.0 110.936 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -119.65 -24.89 6.09 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.986 -1.071 . . . . 0.0 111.448 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 75.0 p -63.52 -40.0 95.89 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.769 -1.207 . . . . 0.0 109.917 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.62 -1.13 52.28 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.025 -1.279 . . . . 0.0 109.594 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.24 172.18 7.24 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.522 -0.736 . . . . 0.0 110.036 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -52.89 -30.9 38.01 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.0 m-20 -68.62 47.12 0.06 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.623 -1.516 . . . . 0.0 109.695 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 22' ' ' GLY . 7.4 ttpm? -66.66 -38.82 87.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.94 -1.1 . . . . 0.0 109.554 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -78.01 -15.12 59.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.409 -0.807 . . . . 0.0 111.397 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' B' ' 23' ' ' ASP . 53.1 pttt -140.98 154.18 45.93 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.743 -1.223 . . . . 0.0 109.421 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 mt -106.49 110.11 22.23 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.139 -0.976 . . . . 0.0 110.004 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.6 tttp -81.94 152.33 26.81 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.713 -1.242 . . . . 0.0 108.228 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.59 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 0.0 108.712 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 28' ' ' LYS . 96.3 p -73.68 -48.23 33.76 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.639 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.51 -34.32 74.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.023 -1.048 . . . . 0.0 108.249 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.08 -40.43 89.49 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.12 -39.8 87.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.361 -0.837 . . . . 0.0 109.601 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -39.78 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.456 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.9 OUTLIER -60.08 -50.0 75.42 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.17 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' B' ' 47' ' ' ILE . 97.0 mt -74.66 -47.02 40.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 O-C-N 121.248 -0.907 . . . . 0.0 113.355 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -78.37 -43.34 27.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.714 -1.241 . . . . 0.0 113.08 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.419 ' N ' HD22 ' B' ' 38' ' ' ASN . 3.2 m120 -96.04 -33.03 12.27 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.157 -0.964 . . . . 0.0 113.49 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.9 -10.93 54.47 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.243 -1.536 . . . . 0.0 110.725 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.1 mt -113.33 53.92 0.75 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.209 -0.932 . . . . 0.0 109.08 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.548 ' C ' ' H ' ' B' ' 43' ' ' PHE . 8.2 p -57.83 100.7 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 0.0 109.547 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.7 m80 55.43 -2.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.702 -0.624 . . . . 0.0 110.671 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.548 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.1 t80 -69.96 -38.51 76.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 108.09 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.476 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.6 tp -129.79 -144.74 0.27 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.476 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -94.01 106.43 18.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 108.873 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.4 136.73 53.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.148 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' B' ' 36' ' ' ILE . 59.8 mt -92.69 135.5 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.632 ' NZ ' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -109.47 -23.41 11.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.639 -0.663 . . . . 0.0 110.751 -177.36 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.3 tp10 -120.78 137.24 54.62 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.837 . . . . 0.0 109.709 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -60.86 -25.88 66.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.653 -0.655 . . . . 0.0 110.655 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.465 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.7 pt-20 -59.91 -37.0 78.17 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.996 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.16 -39.84 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.925 -1.109 . . . . 0.0 108.128 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.83 -33.86 66.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 O-C-N 121.875 -0.516 . . . . 0.0 110.076 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -66.77 -38.47 86.63 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.096 0.95 . . . . 0.0 109.663 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -69.91 -39.62 76.08 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.231 1.015 . . . . 0.0 108.348 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.67 -30.72 50.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.577 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -63.42 -36.92 85.33 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.66 -40.03 71.72 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.477 -1.389 . . . . 0.0 107.729 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -79.45 -42.73 24.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 0.0 111.598 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' B' ' 76' ' ' PHE . 10.4 mt -88.55 -16.57 32.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.825 -1.172 . . . . 0.0 110.863 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.5 t0 -80.74 58.61 3.37 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.0 -38.43 82.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 1.4 m-20 -73.55 -11.02 60.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.24 28.87 67.52 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 41.9 p-10 -107.17 5.07 27.43 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.244 -1.151 . . . . 0.0 109.997 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.458 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.64 2.4 85.2 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.6 mt-10 -136.19 132.47 35.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.796 -0.826 . . . . 0.0 108.87 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.26 44.84 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.47 164.88 22.13 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.341 -0.85 . . . . 0.0 109.301 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.437 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 3.3 t80 -49.13 -39.98 30.73 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.87 -46.76 88.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 110.423 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 36.2 mt-10 -60.08 -40.12 88.43 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 110.648 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.14 -36.16 79.26 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.076 -1.015 . . . . 0.0 109.011 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.437 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 83.5 mmm -59.99 -39.61 86.32 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.363 0.602 . . . . 0.0 110.715 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.39 72.7 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.696 -1.253 . . . . 0.0 110.889 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.627 ' HB2' HD21 ' B' ' 60' ' ' LEU . 34.6 t80 -61.48 -38.06 85.91 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.865 -1.147 . . . . 0.0 109.74 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.475 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.3 t -60.75 -38.08 77.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.834 -0.541 . . . . 0.0 110.072 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 74.1 p -61.91 -40.0 93.96 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.235 -0.915 . . . . 0.0 109.441 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.9 mtp -70.07 -46.54 64.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.544 -0.723 . . . . 0.0 111.793 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.61 -37.82 79.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -60.06 -39.96 87.83 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -52.55 -39.27 61.27 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 88' ' ' PHE . 34.9 m -59.75 -33.1 71.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -59.95 -40.17 88.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.908 -1.12 . . . . 0.0 108.818 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.64 -37.75 82.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.434 -0.791 . . . . 0.0 109.75 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -94.04 -21.48 19.13 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.252 -0.905 . . . . 0.0 110.721 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 36.9 t80 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 120.907 -1.121 . . . . 0.0 110.368 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.683 HH11 ' NZ ' ' A' ' 48' ' ' LYS . 98.5 mtt180 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 121.109 0.481 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.2 p-80 -58.65 -36.23 73.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.602 -1.311 . . . . 0.0 108.794 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 51.9 tptt -59.96 -27.94 67.24 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.85 -42.41 93.6 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.951 -1.093 . . . . 0.0 108.661 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.587 HD21 ' HZ3' ' X' ' 111' ' ' LYS . 4.1 tp -69.11 -40.0 78.6 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -42.39 -24.43 0.05 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.807 -1.183 . . . . 0.0 110.198 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -44.01 -49.06 8.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.226 -0.921 . . . . 0.0 109.498 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -69.42 -34.58 74.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.646 -0.659 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 90.2 m -60.02 -39.92 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.451 -0.781 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.632 HH11 ' NZ ' ' B' ' 48' ' ' LYS . 98.1 mtt180 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.161 0.505 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.61 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.0 p-80 -58.52 -36.36 73.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.661 -1.274 . . . . 0.0 108.795 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.0 tptt -59.99 -28.04 67.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.96 -41.98 93.1 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.938 -1.101 . . . . 0.0 108.646 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' Y' ' 110' ' ' PHE . 4.1 tp -69.35 -39.88 77.87 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -42.44 -24.48 0.06 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.842 -1.162 . . . . 0.0 110.183 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -44.04 -49.0 8.89 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.18 -0.95 . . . . 0.0 109.471 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.635 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.6 OUTLIER -69.63 -34.42 74.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 109.32 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.0 -39.84 87.15 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.523 -0.736 . . . . 0.0 . 179.226 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.142 0.496 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 3' ' ' LEU . 3.6 m 58.88 13.97 3.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.305 -0.872 . . . . 0.0 109.69 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -75.63 22.63 0.13 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 1' ' ' SER . 44.8 tp -70.98 -32.11 68.86 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 110.84 -178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -63.8 -39.47 94.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.815 -1.178 . . . . 0.0 111.026 -178.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 5.9 ptpt -72.11 -36.21 69.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.789 -1.194 . . . . 0.0 109.489 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.09 87.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.41 -0.806 . . . . 0.0 110.797 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mtt -62.94 -40.12 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.76 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.19 86.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.892 -0.505 . . . . 0.0 111.812 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -69.41 -39.95 79.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.84 -0.537 . . . . 0.0 111.255 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.4 t0 -59.95 -46.3 89.85 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.714 -1.241 . . . . 0.0 111.787 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -39.89 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.008 -1.058 . . . . 0.0 109.698 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.98 -38.3 75.81 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -70.02 -23.93 63.2 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -59.99 -43.44 95.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.623 -1.298 . . . . 0.0 110.154 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -93.88 -36.68 12.1 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 120.764 -1.21 . . . . 0.0 111.886 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 t -59.99 -47.08 87.28 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.952 -1.093 . . . . 0.0 110.054 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.45 -5.29 89.91 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.06 -48.89 79.85 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.892 -1.358 . . . . 0.0 109.055 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.86 -73.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 23' ' ' ASP . . . 175.33 -7.45 0.03 OUTLIER Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 9.9 m-20 -83.63 72.3 10.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -1.221 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -69.91 -40.03 75.82 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.219 -0.926 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.15 -20.04 56.06 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.257 -0.902 . . . . 0.0 111.421 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -143.63 158.08 43.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.864 -1.147 . . . . 0.0 109.625 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.17 133.17 55.56 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 30' ' ' SER . 94.5 mttt -95.96 153.68 17.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -49.77 -22.61 1.47 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.3 t -74.49 -52.05 13.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.18 -36.15 82.69 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.99 -42.74 94.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.805 -0.56 . . . . 0.0 110.059 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.38 -40.05 89.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.089 -1.007 . . . . 0.0 110.215 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -66.72 -37.32 84.45 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.109 -0.995 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.66 -50.0 72.91 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.838 -1.164 . . . . 0.0 109.308 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.02 -45.57 48.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.582 -0.699 . . . . 0.0 111.661 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.95 -39.04 79.74 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.968 -1.083 . . . . 0.0 111.875 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.17 -35.11 10.49 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 113.311 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.7 tp10 -85.6 -11.99 52.61 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.186 -1.571 . . . . 0.0 110.448 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 39' ' ' GLU . 8.1 mt -137.43 47.73 2.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.211 -0.93 . . . . 0.0 108.673 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -65.28 -40.2 93.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 110.503 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.28 -31.29 6.02 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.288 -0.882 . . . . 0.0 110.072 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.61 -38.99 89.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.6 159.99 34.66 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -55.27 113.28 1.33 Allowed 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.401 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 149.21 45.36 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.959 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.469 HG21 HG23 ' A' ' 53' ' ' VAL . 5.7 mm -88.9 120.16 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -7.08 30.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.503 -0.748 . . . . 0.0 108.992 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -139.91 138.71 35.86 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.893 . . . . 0.0 110.167 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -66.12 -22.35 66.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.7 pt-20 -60.05 -39.54 86.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.348 -0.845 . . . . 0.0 109.814 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.408 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 72.3 t -60.02 -39.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.231 -0.918 . . . . 0.0 108.624 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 47' ' ' ILE . 45.2 t -64.18 -40.01 87.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.066 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.74 -39.95 93.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.364 -0.835 . . . . 0.0 109.83 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.23 -39.96 89.92 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.32 -32.59 57.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.079 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.43 -37.52 70.32 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -79.17 -45.37 20.07 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.165 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.36 -14.8 37.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 0.0 110.729 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.87 61.87 4.66 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.77 -39.54 85.19 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.719 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 55.6 p-10 -81.08 -7.01 59.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.139 -0.976 . . . . 0.0 109.407 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 35.66 90.72 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.002 -1.094 . . . . 0.0 110.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.4 p-10 -105.91 1.0 26.35 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.002 -1.293 . . . . 0.0 109.751 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.01 5.09 89.72 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.577 -1.809 . . . . 0.0 108.577 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.6 mt-10 -136.73 136.07 38.66 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.1 126.3 44.82 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.896 -1.128 . . . . 0.0 108.518 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.0 159.93 32.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.562 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' B' ' 82' ' ' THR . 6.5 t80 -47.49 -39.98 17.32 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 109.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.93 -38.99 87.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.994 -1.066 . . . . 0.0 109.795 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.17 -40.02 90.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.937 -1.102 . . . . 0.0 110.17 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.708 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.97 -37.48 79.73 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.247 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.14 76.04 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.323 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.03 -40.17 88.42 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.994 -1.066 . . . . 0.0 110.416 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.446 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -59.95 -37.65 73.16 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.762 -0.586 . . . . 0.0 110.135 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.0 m -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.491 -0.883 . . . . 0.0 108.996 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.433 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 89.6 mtp -61.76 -50.03 74.03 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.612 0.72 . . . . 0.0 112.046 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.07 -33.65 59.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 O-C-N 120.628 -1.295 . . . . 0.0 110.128 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -60.45 -39.99 89.52 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.266 -0.896 . . . . 0.0 109.109 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.495 HG23 ' CE2' ' B' ' 70' ' ' PHE . 5.4 m -54.3 -39.04 66.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.44 85.88 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.71 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 m -56.41 -33.9 66.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -60.04 -38.71 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.99 -37.81 80.76 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -82.97 -39.65 21.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.894 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.415 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.508 ' C ' ' H ' ' B' ' 3' ' ' LEU . 3.7 m 59.25 13.64 3.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.268 -0.895 . . . . 0.0 109.667 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.5 22.62 0.13 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' B' ' 1' ' ' SER . 45.0 tp -70.98 -32.31 69.11 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.057 -1.027 . . . . 0.0 110.844 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 1' ' ' SER . 1.0 OUTLIER -63.59 -39.73 95.14 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.864 -1.148 . . . . 0.0 110.986 -178.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.438 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 6.0 ptpt -71.91 -36.26 69.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.801 -1.187 . . . . 0.0 109.544 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.11 87.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.364 -0.835 . . . . 0.0 110.845 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.1 mtt -62.8 -40.18 96.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.984 -1.073 . . . . 0.0 109.175 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -39.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.16 86.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.898 -0.501 . . . . 0.0 111.795 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -40.02 87.56 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -40.07 79.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 121.939 -0.476 . . . . 0.0 111.132 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 12' ' ' ASP . 60.8 t0 -59.91 -46.45 89.33 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.755 -1.215 . . . . 0.0 111.666 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.67 -39.9 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 120.936 -1.102 . . . . 0.0 109.785 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.99 -38.31 75.86 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.012 -1.055 . . . . 0.0 109.117 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -70.05 -23.78 63.15 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 110.443 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -60.03 -43.43 95.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.587 -1.321 . . . . 0.0 110.191 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.9 -36.84 12.01 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.806 -1.184 . . . . 0.0 111.883 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 t -59.99 -46.59 88.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.917 -1.114 . . . . 0.0 110.114 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 -5.32 90.17 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -48.96 79.53 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.872 -1.369 . . . . 0.0 109.028 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -88.71 -73.95 0.48 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.72 -7.91 0.03 OUTLIER Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.9 m-20 -83.13 72.07 10.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.147 -1.208 . . . . 0.0 109.736 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -69.9 -39.81 76.0 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.202 -0.936 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -77.43 -20.24 54.82 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.21 -0.931 . . . . 0.0 111.32 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.7 pttp -143.31 158.2 43.83 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.84 -1.162 . . . . 0.0 109.731 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.35 133.03 55.52 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 30' ' ' SER . 95.0 mttt -95.75 153.88 17.51 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.772 -1.205 . . . . 0.0 110.076 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -49.96 -22.73 1.66 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.435 ' N ' ' C ' ' B' ' 28' ' ' LYS . 41.0 t -74.27 -52.38 12.49 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.89 -36.38 83.12 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.01 -42.46 94.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.792 -0.568 . . . . 0.0 110.045 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.56 -39.97 89.89 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.027 . . . . 0.0 110.125 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.67 -37.44 84.77 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.171 -0.956 . . . . 0.0 109.766 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.69 -50.04 72.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.894 -1.129 . . . . 0.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.99 -45.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.478 -0.764 . . . . 0.0 111.475 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -69.09 -38.99 79.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 111.994 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -98.07 -35.56 10.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.237 -0.914 . . . . 0.0 113.287 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.707 ' O ' HD23 ' B' ' 40' ' ' LEU . 3.7 tp10 -85.4 -11.57 54.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.265 -1.522 . . . . 0.0 110.418 -177.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.707 HD23 ' O ' ' B' ' 39' ' ' GLU . 8.2 mt -137.92 47.5 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.189 -0.945 . . . . 0.0 108.641 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -65.43 -40.12 92.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 110.453 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -115.21 -31.31 6.04 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.218 -0.926 . . . . 0.0 110.156 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.62 -39.16 90.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.0 109.705 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.31 160.02 34.33 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -55.32 113.26 1.33 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.17 149.06 46.27 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.508 0.671 . . . . 0.0 109.968 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.474 HG21 HG23 ' B' ' 53' ' ' VAL . 5.6 mm -88.79 120.14 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -6.85 30.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.462 -0.774 . . . . 0.0 109.064 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.0 138.29 35.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.286 -0.884 . . . . 0.0 110.186 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.6 -22.67 66.69 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.7 pt-20 -59.99 -39.51 85.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.259 -0.901 . . . . 0.0 109.887 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 65.1 t -60.0 -39.96 81.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.17 -0.956 . . . . 0.0 108.646 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.474 HG23 HG21 ' B' ' 47' ' ' ILE . 47.0 t -64.06 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.011 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.77 -40.07 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.881 . . . . 0.0 109.791 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -66.12 -40.01 90.36 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.34 -32.52 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.8 mmm -69.94 -29.89 67.15 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.109 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.57 -37.04 70.02 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.7 m -79.62 -45.48 19.03 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.209 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.19 -14.64 38.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.775 -1.203 . . . . 0.0 110.722 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.6 t0 -80.95 61.89 4.73 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.74 -39.55 85.13 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.777 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -81.16 -7.01 59.48 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.346 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.19 35.58 90.62 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.87 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.4 p-10 -105.79 1.2 26.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.285 . . . . 0.0 109.777 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.09 4.67 89.75 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -136.38 136.15 39.37 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.26 126.28 45.05 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.858 -1.151 . . . . 0.0 108.558 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 160.0 32.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 82' ' ' THR . 6.6 t80 -47.61 -39.94 18.18 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.407 -0.808 . . . . 0.0 109.019 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.81 -39.22 87.65 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 109.832 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.95 -40.06 91.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.187 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.49 -31.4 70.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.116 -0.99 . . . . 0.0 109.799 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -59.94 -37.57 79.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 109.234 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.17 76.11 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.368 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.06 -40.08 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.976 -1.078 . . . . 0.0 110.495 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.411 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -60.05 -37.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 O-C-N 121.733 -0.604 . . . . 0.0 110.071 -178.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.2 m -67.45 -39.94 85.39 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.284 -0.885 . . . . 0.0 108.983 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' CD ' ' Y' ' 111' ' ' LYS . 89.6 mtp -61.83 -50.01 74.0 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.463 0.649 . . . . 0.0 112.074 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.12 -33.41 58.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 120.707 -1.246 . . . . 0.0 110.115 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.94 -40.01 91.67 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.293 -0.879 . . . . 0.0 109.191 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.471 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.5 m -54.3 -38.69 66.2 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.93 87.44 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.698 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.23 -33.89 65.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.0 -38.59 83.06 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.015 -1.053 . . . . 0.0 108.182 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.06 -37.71 80.66 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -83.0 -39.87 20.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.359 -0.838 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.547 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.59 ' NE2' ' SD ' ' X' ' 109' ' ' MET . 65.6 t60 -57.59 -38.64 75.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.982 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 0.0 109.383 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -71.07 -31.09 67.4 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.695 0.76 . . . . 0.0 109.771 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.59 ' SD ' ' NE2' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.87 -24.7 66.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.047 -1.033 . . . . 0.0 111.539 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.0 p90 -41.42 -48.43 3.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.991 -1.068 . . . . 0.0 110.941 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.43 -25.55 38.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.868 -1.145 . . . . 0.0 109.837 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 91.9 m -59.97 -39.97 87.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.651 -0.656 . . . . 0.0 . 179.669 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.588 ' NE2' ' SD ' ' Y' ' 109' ' ' MET . 67.5 t60 -57.57 -38.83 75.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.239 -0.913 . . . . 0.0 108.995 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -59.91 -31.52 69.9 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.02 -40.26 88.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.041 -1.037 . . . . 0.0 109.399 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.85 -31.28 67.94 Favored 'General case' 0 N--CA 1.506 2.336 0 CA-C-O 121.715 0.769 . . . . 0.0 109.799 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.588 ' SD ' ' NE2' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.58 -24.82 65.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.03 -1.044 . . . . 0.0 111.549 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -41.43 -48.35 3.78 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.0 -1.063 . . . . 0.0 110.965 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.47 -25.54 38.81 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.972 -1.08 . . . . 0.0 109.752 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.653 -0.654 . . . . 0.0 . 179.689 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.346 0.593 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 3' ' ' LEU . 23.5 p 50.02 19.59 0.49 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.322 -0.862 . . . . 0.0 109.784 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.17 17.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.0 108.861 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.7 tp -59.73 -30.87 69.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CB ' ' CZ ' ' B' ' 43' ' ' PHE . 13.0 pt-20 -63.35 -39.17 93.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.162 -0.961 . . . . 0.0 109.413 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -64.25 -40.01 95.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.576 -0.702 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.06 -40.0 75.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 110.644 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.1 mtt -61.08 -40.05 92.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.138 -0.976 . . . . 0.0 109.384 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.83 -38.12 79.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.05 96.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.63 -0.669 . . . . 0.0 111.64 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.796 -1.19 . . . . 0.0 108.305 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.21 -40.09 84.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.87 -0.518 . . . . 0.0 111.094 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.29 -45.52 92.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.686 -1.259 . . . . 0.0 111.474 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -37.97 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.332 -0.855 . . . . 0.0 110.126 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 18' ' ' SER . 46.2 t80 -51.49 -41.56 61.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.737 -0.602 . . . . 0.0 109.641 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -78.82 -22.52 46.08 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.148 -0.97 . . . . 0.0 111.674 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.49 -40.82 75.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.919 -1.113 . . . . 0.0 111.514 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -120.83 -23.06 6.04 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.186 -0.946 . . . . 0.0 111.265 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 88.1 p -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.444 -1.41 . . . . 0.0 108.677 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -0.62 25.92 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' A' ' 20' ' ' ARG . 37.3 ttt-85 -61.12 -42.54 98.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -1.14 . . . . 0.0 109.468 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -113.96 165.08 12.97 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.626 0.727 . . . . 0.0 110.142 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.04 -28.99 13.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.8 m-20 -70.1 53.4 0.13 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.906 -1.349 . . . . 0.0 108.53 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' GLY . 12.7 tmtt? -62.25 -40.06 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.0 110.611 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.515 ' CD2' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -91.92 0.01 57.49 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.893 -1.129 . . . . 0.0 110.816 -178.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' NZ ' ' CD2' ' A' ' 25' ' ' HIS . 63.1 mttp -141.49 157.22 45.42 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.977 -1.077 . . . . 0.0 110.224 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' CG ' ' A' ' 31' ' ' GLU . 2.3 mm? -110.58 120.21 41.67 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.5 tttp -91.79 150.49 21.06 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 20.6 pttp -44.87 -23.37 0.13 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 108.507 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.475 ' N ' ' C ' ' A' ' 28' ' ' LYS . 63.3 m -77.92 -52.35 8.98 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.488 ' CG ' HD13 ' A' ' 27' ' ' LEU . 7.1 tp10 -64.46 -36.13 83.18 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.98 -40.34 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.12 -37.99 81.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.326 -0.859 . . . . 0.0 109.155 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.99 -39.52 86.01 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.97 -50.46 73.66 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.472 HG21 ' CD1' ' A' ' 47' ' ' ILE . 94.0 mt -75.12 -48.59 31.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.931 -1.106 . . . . 0.0 112.962 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 38.3 t-20 -80.97 -46.75 14.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.841 -1.162 . . . . 0.0 112.393 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -39.96 32.69 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.336 -0.853 . . . . 0.0 113.201 -176.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 40' ' ' LEU . 34.2 tt0 -89.26 -20.68 23.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.366 -1.459 . . . . 0.0 111.7 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 39' ' ' GLU . 17.1 mt -122.19 57.6 1.06 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.097 -1.002 . . . . 0.0 109.611 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.18 -39.97 88.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -127.75 -23.25 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.245 -0.909 . . . . 0.0 110.425 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' B' ' 4' ' ' GLU . 42.6 t80 -62.04 -39.94 94.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.895 -1.128 . . . . 0.0 109.007 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 tp -126.84 160.0 32.22 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.7 pt-20 -55.15 112.36 1.06 Allowed 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.715 -1.194 . . . . 0.0 109.183 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.0 141.83 58.64 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.464 -0.773 . . . . 0.0 109.113 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 77.7 mt -98.03 134.44 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.119 -0.988 . . . . 0.0 108.729 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HE3' HH12 ' X' ' 104' ' ' ARG . 27.3 mmtt -106.47 -25.06 12.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.202 -0.936 . . . . 0.0 110.26 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -112.15 147.96 35.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.904 0.859 . . . . 0.0 111.095 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -72.65 -16.6 61.71 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.3 pt-20 -66.05 -40.02 90.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.372 -0.83 . . . . 0.0 110.561 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.3 t -60.06 -40.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.02 -34.15 68.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.62 -38.71 91.92 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.013 0.911 . . . . 0.0 109.737 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.99 -39.75 75.74 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.36 -27.64 37.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.16 -38.54 88.33 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.1 -39.71 72.56 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.297 -1.502 . . . . 0.0 107.655 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -77.93 -45.69 23.33 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.655 -0.653 . . . . 0.0 111.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 28.2 mt -90.39 -15.81 30.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.839 -1.163 . . . . 0.0 111.223 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.1 t0 -81.07 61.59 4.7 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -59.98 -38.4 82.42 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 64.9 m-20 -75.6 -11.27 59.98 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.14 71.89 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 44.2 p-10 -106.98 8.32 30.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.389 -1.066 . . . . 0.0 110.004 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.5 6.96 82.27 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 40.5 mt-10 -138.63 125.97 21.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.762 -0.846 . . . . 0.0 108.729 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.7 p -94.87 128.36 41.58 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.81 160.04 33.28 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.452 -0.78 . . . . 0.0 110.073 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 4.9 t80 -47.58 -38.69 14.92 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.439 -0.788 . . . . 0.0 109.152 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -66.93 -38.59 86.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.722 -1.236 . . . . 0.0 109.606 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 39.8 mt-10 -66.81 -42.81 85.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 0.0 110.318 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -64.65 -35.85 82.35 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.038 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.421 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.4 mmm -59.95 -38.12 81.55 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.357 0.599 . . . . 0.0 110.424 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.731 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.99 -38.53 82.87 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.959 -1.088 . . . . 0.0 109.574 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.8 t -60.02 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.249 0.547 . . . . 0.0 109.992 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -61.36 -39.99 92.63 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.427 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 75.9 mtp -68.73 -43.47 75.86 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.63 -0.668 . . . . 0.0 111.862 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.429 ' HA ' ' HZ3' ' X' ' 111' ' ' LYS . 61.4 t -68.52 -34.74 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.899 -1.126 . . . . 0.0 110.755 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.8 m -61.33 -39.95 92.43 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.159 -0.963 . . . . 0.0 108.674 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.18 -39.9 67.04 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.16 84.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.293 -0.879 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -60.02 -37.84 80.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -58.46 -39.35 79.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.963 -1.086 . . . . 0.0 109.178 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -59.97 -39.52 85.94 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.248 -0.907 . . . . 0.0 108.955 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.13 -39.35 14.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.219 -0.926 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.706 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 3' ' ' LEU . 25.8 p 49.96 19.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.0 109.738 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.16 16.94 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 0.0 108.731 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' B' ' 1' ' ' SER . 55.9 tp -59.35 -31.01 68.8 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . 13.3 pt-20 -63.43 -39.14 93.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 0.0 109.401 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.38 -39.95 94.87 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.576 -0.702 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 0.0 110.687 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.3 mtt -60.98 -40.0 91.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.083 -1.011 . . . . 0.0 109.404 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.15 -37.9 78.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.0 95.8 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.538 -0.727 . . . . 0.0 111.608 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.795 -1.191 . . . . 0.0 108.309 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.35 -39.98 83.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.825 -0.547 . . . . 0.0 111.031 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.25 -45.61 92.51 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.619 -1.301 . . . . 0.0 111.475 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -38.47 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.418 -0.801 . . . . 0.0 110.132 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.436 ' O ' ' OG ' ' B' ' 18' ' ' SER . 46.8 t80 -51.14 -41.58 60.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.697 -0.627 . . . . 0.0 109.664 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -78.81 -22.34 46.4 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.185 -0.947 . . . . 0.0 111.701 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.62 -40.9 76.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.942 -1.098 . . . . 0.0 111.48 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' B' ' 35' ' ' LEU . 33.7 p90 -120.77 -23.11 6.06 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.293 -0.879 . . . . 0.0 111.217 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 87.4 p -60.05 -40.0 87.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.386 -1.446 . . . . 0.0 108.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.43 -0.97 26.37 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' B' ' 20' ' ' ARG . 37.9 ttt-85 -60.96 -42.4 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -114.13 165.2 12.9 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.606 0.717 . . . . 0.0 110.147 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.98 -29.3 14.08 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.8 m-20 -70.0 53.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.937 -1.331 . . . . 0.0 108.588 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 22' ' ' GLY . 12.8 tmtt? -62.5 -40.04 95.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.321 -0.862 . . . . 0.0 110.577 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' NZ ' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -91.95 -0.02 57.48 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.933 -1.105 . . . . 0.0 110.805 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.536 ' NZ ' ' CD2' ' B' ' 25' ' ' HIS . 63.0 mttp -141.43 157.24 45.42 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 110.254 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.491 HD13 ' CG ' ' B' ' 31' ' ' GLU . 2.2 mm? -110.55 120.26 41.85 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' B' ' 30' ' ' SER . 64.3 tttp -91.67 150.51 21.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -44.9 -23.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.957 -1.09 . . . . 0.0 108.491 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' C ' ' B' ' 28' ' ' LYS . 57.8 m -77.83 -52.56 8.69 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.491 ' CG ' HD13 ' B' ' 27' ' ' LEU . 7.0 tp10 -64.51 -35.79 82.09 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.04 -40.54 89.72 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.02 -37.96 81.27 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 109.187 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.01 -39.58 86.26 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' B' ' 17' ' ' TYR . 1.6 tm? -60.0 -50.17 74.78 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 ' CD1' ' B' ' 47' ' ' ILE . 92.1 mt -75.14 -48.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.093 0 O-C-N 121.023 -1.048 . . . . 0.0 112.96 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 38.1 t-20 -80.71 -46.84 14.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.859 -1.151 . . . . 0.0 112.424 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -39.98 32.66 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.361 -0.837 . . . . 0.0 113.219 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.479 ' O ' HD23 ' B' ' 40' ' ' LEU . 33.9 tt0 -89.24 -20.62 23.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.379 -1.451 . . . . 0.0 111.682 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 39' ' ' GLU . 16.4 mt -122.4 57.44 1.08 Allowed 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.126 -0.984 . . . . 0.0 109.672 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.6 p -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.215 -0.928 . . . . 0.0 110.249 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -127.58 -22.99 3.52 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.261 -0.9 . . . . 0.0 110.421 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 4' ' ' GLU . 42.2 t80 -62.23 -39.94 94.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 109.081 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -126.86 160.03 32.16 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 11.6 pt-20 -55.18 112.5 1.09 Allowed 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.736 -1.186 . . . . 0.0 109.191 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -65.1 141.67 58.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.536 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 81.2 mt -97.85 134.25 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 108.727 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -106.28 -25.35 11.99 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.222 -0.924 . . . . 0.0 110.225 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -112.15 148.0 34.93 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.926 0.869 . . . . 0.0 111.095 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -72.5 -16.68 61.79 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.2 pt-20 -65.96 -40.04 90.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.36 -0.837 . . . . 0.0 110.53 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 75.2 t -60.13 -39.96 82.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.2 t -66.86 -34.67 71.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.26 -38.67 91.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.997 0.903 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.0 -39.77 75.67 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 122.162 0.982 . . . . 0.0 108.355 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.1 -28.09 39.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.05 -38.51 88.56 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.27 -39.58 72.86 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.346 -1.471 . . . . 0.0 107.589 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -77.84 -45.66 23.7 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.676 -0.64 . . . . 0.0 111.658 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 27.8 mt -90.34 -16.1 29.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.793 -1.192 . . . . 0.0 111.271 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.3 t0 -80.84 61.6 4.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -59.88 -38.43 82.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.54 -11.21 59.98 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.95 31.14 71.46 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.9 p-10 -107.09 8.29 30.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.35 -1.088 . . . . 0.0 110.005 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 75.66 6.7 82.07 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 39.2 mt-10 -138.59 126.1 21.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.6 p -94.87 128.19 41.45 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.62 160.06 33.33 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.445 -0.784 . . . . 0.0 110.053 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.418 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 4.9 t80 -47.55 -38.76 14.84 Favored 'General case' 0 C--O 1.203 -1.366 0 O-C-N 121.407 -0.808 . . . . 0.0 109.135 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.89 -38.66 86.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.797 -1.189 . . . . 0.0 109.653 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 39.8 mt-10 -66.66 -42.74 86.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.925 -1.109 . . . . 0.0 110.281 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -64.49 -36.19 83.39 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.34 -0.85 . . . . 0.0 108.985 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.418 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 77.4 mmm -60.02 -37.92 81.18 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.25 0.547 . . . . 0.0 110.414 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.05 76.65 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.85 -1.157 . . . . 0.0 110.758 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.0 -38.51 82.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.977 -1.077 . . . . 0.0 109.445 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.45 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.7 t -60.0 -39.82 81.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.213 0.53 . . . . 0.0 110.056 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.0 p -61.29 -40.02 92.58 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 109.38 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 75.7 mtp -68.53 -43.75 76.06 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.724 -0.61 . . . . 0.0 111.876 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.442 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 62.3 t -68.35 -35.01 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.829 -1.17 . . . . 0.0 110.771 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -61.04 -40.03 92.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.157 -0.964 . . . . 0.0 108.67 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.36 -40.0 67.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.95 83.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 108.856 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.7 m -59.95 -37.74 80.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.474 -0.766 . . . . 0.0 109.952 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -58.49 -39.62 80.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.981 -1.074 . . . . 0.0 109.157 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.01 -39.21 85.03 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 108.956 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -88.18 -39.46 14.49 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.138 -0.977 . . . . 0.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.687 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.405 HH12 ' HE3' ' A' ' 48' ' ' LYS . 12.4 ptm180 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.358 0.599 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.413 ' CG ' HG13 ' A' ' 52' ' ' VAL . 12.1 t-80 -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.826 -1.171 . . . . 0.0 108.626 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.53 -30.62 68.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.278 -0.889 . . . . 0.0 108.946 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -57.16 -40.0 76.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.69 -1.256 . . . . 0.0 107.648 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.676 ' HG ' ' HZ1' ' X' ' 111' ' ' LYS . 5.8 tt -70.02 -40.01 75.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.644 -0.66 . . . . 0.0 109.73 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -43.17 -24.51 0.08 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 110.197 -179.444 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -41.05 -48.09 3.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 110.057 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.676 ' HZ1' ' HG ' ' X' ' 108' ' ' LEU . 9.4 ptpt -75.25 -31.5 60.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.204 -0.935 . . . . 0.0 109.624 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 36.4 m -60.04 -39.85 87.36 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.598 -0.689 . . . . 0.0 . 179.416 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.386 0.612 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.92 -39.85 86.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.842 -1.161 . . . . 0.0 108.679 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -59.43 -30.83 68.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.908 . . . . 0.0 109.029 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -57.17 -39.97 76.38 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.672 ' HG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.9 tt -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.65 -0.656 . . . . 0.0 109.705 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -43.15 -24.62 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.967 -1.083 . . . . 0.0 110.268 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -41.03 -47.92 3.16 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.329 -0.857 . . . . 0.0 110.076 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.672 ' HZ1' ' HG ' ' Y' ' 108' ' ' LEU . 9.5 ptpt -75.35 -31.62 60.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 0.0 109.542 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -60.04 -39.35 85.61 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 . 179.249 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' N ' ' A' ' 2' ' ' GLU . 68.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 3' ' ' LEU . 52.8 p 50.74 10.38 0.06 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.178 -0.951 . . . . 0.0 109.7 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.477 ' N ' ' C ' ' A' ' 0' ' ' MET . 17.5 pt-20 -75.73 18.63 0.24 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.9 tt -60.04 -37.65 80.43 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.33 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.96 -37.92 80.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.134 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.01 -40.82 96.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.414 -0.804 . . . . 0.0 109.536 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.98 86.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 110.643 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 mtt -62.56 -39.99 95.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.65 -36.84 77.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-O 121.359 0.599 . . . . 0.0 109.413 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.02 87.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 111.556 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD23 ' CE ' ' A' ' 74' ' ' MET . 6.7 mp -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.718 -1.239 . . . . 0.0 108.605 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -69.04 -38.82 78.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 110.62 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -61.44 -49.54 76.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.769 -1.207 . . . . 0.0 111.434 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.88 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.86 -38.73 82.95 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.003 -1.061 . . . . 0.0 109.379 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.04 -30.21 70.69 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.296 -0.878 . . . . 0.0 110.084 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -59.96 -41.12 91.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 110.344 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -94.75 -21.54 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.871 -1.143 . . . . 0.0 111.656 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.2 p -57.13 -40.04 76.34 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.635 -1.291 . . . . 0.0 107.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.73 39.47 2.95 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.59 -64.68 0.94 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.733 -1.451 . . . . 0.0 109.901 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -114.66 -19.54 11.05 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.42 -0.8 . . . . 0.0 109.49 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.46 -14.62 1.83 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' LYS . 4.6 m-20 -76.01 58.36 1.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.824 -1.397 . . . . 0.0 108.541 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.35 -39.95 88.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.42 -0.8 . . . . 0.0 109.989 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -79.73 -20.87 45.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.345 -0.847 . . . . 0.0 111.323 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 mtmm -140.39 151.44 44.94 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.8 -1.187 . . . . 0.0 110.608 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 27' ' ' LEU . 4.5 mm? -106.95 134.58 49.89 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.333 -0.854 . . . . 0.0 108.702 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.8 tttp -101.46 145.81 28.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 108.743 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.4 pttp -41.8 -23.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.825 0.821 . . . . 0.0 109.337 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.5 m -76.7 -54.66 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 99.0 mt-10 -61.36 -35.99 78.96 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.99 -41.43 92.04 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.685 -0.635 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.711 ' NZ ' HD22 ' A' ' 37' ' ' ASN . 63.2 tttm -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.09 -1.006 . . . . 0.0 109.917 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.6 mp0 -65.95 -36.93 84.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 108.966 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.2 tm? -60.73 -46.81 89.0 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.638 -1.289 . . . . 0.0 108.637 178.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.63 -51.46 28.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.85 -0.532 . . . . 0.0 111.972 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.711 HD22 ' NZ ' ' A' ' 33' ' ' LYS . 98.4 m-20 -73.53 -48.66 31.38 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.286 -0.966 . . . . 0.0 112.451 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -44.68 38.07 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 40' ' ' LEU . 6.5 tp10 -83.23 -15.41 50.47 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.338 -1.476 . . . . 0.0 111.033 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.3 mt -138.53 49.93 1.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.902 -1.124 . . . . 0.0 110.075 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.9 p -63.07 -44.96 94.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.051 -1.031 . . . . 0.0 109.425 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.11 -38.66 8.85 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.307 -0.871 . . . . 0.0 110.055 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.331 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.593 HD13 ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -125.23 134.97 52.13 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 178.248 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.593 ' N ' HD13 ' A' ' 44' ' ' LEU . 16.6 pt-20 -52.0 117.0 2.46 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.45 -1.406 . . . . 0.0 109.168 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -51.27 150.58 3.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 110.301 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.619 HD13 ' NH2' ' X' ' 104' ' ' ARG . 6.0 mm -84.28 141.25 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -107.63 -17.6 14.05 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.287 -0.883 . . . . 0.0 110.736 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 52.6 tp10 -139.98 141.82 36.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.92 -1.113 . . . . 0.0 109.904 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.98 -27.96 67.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.713 -0.617 . . . . 0.0 110.997 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 19.2 pt-20 -59.99 -38.71 83.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.008 -1.057 . . . . 0.0 110.502 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.022 -1.048 . . . . 0.0 108.783 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 HG21 ' A' ' 47' ' ' ILE . 54.9 t -65.32 -38.58 82.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.497 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 64.7 t0 -65.3 -35.94 82.54 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 110.17 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.82 -32.72 59.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.83 67.09 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.528 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.06 -40.03 83.89 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 119.947 -1.721 . . . . 0.0 106.647 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -74.51 -42.87 58.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.785 -0.572 . . . . 0.0 111.305 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 39.0 mt -89.53 -16.79 29.93 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.721 -1.237 . . . . 0.0 110.54 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' MET . 58.1 t0 -81.42 62.3 5.26 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.89 -39.8 86.57 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.675 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -80.99 -7.29 59.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.238 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.48 85.09 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.0 p-10 -105.71 0.42 26.24 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.088 -1.242 . . . . 0.0 110.045 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.573 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.8 5.29 83.72 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.507 -1.837 . . . . 0.0 108.507 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 63.7 mt-10 -137.86 134.52 35.18 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.93 128.89 48.14 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -79.43 172.76 13.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 110.31 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' B' ' 82' ' ' THR . 13.2 t80 -49.02 -40.04 29.34 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 121.317 -0.865 . . . . 0.0 109.147 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.46 -53.04 48.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.907 -1.121 . . . . 0.0 110.47 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 88.8 mt-10 -61.14 -40.36 93.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.016 . . . . 0.0 111.005 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.86 -36.96 86.04 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.962 -1.086 . . . . 0.0 109.517 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.471 ' CE ' HD23 ' A' ' 10' ' ' LEU . 64.9 mmm -59.91 -38.79 83.33 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.667 -0.645 . . . . 0.0 110.828 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.01 -30.08 69.24 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.751 -1.218 . . . . 0.0 110.735 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 108.975 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.484 HG23 ' H ' ' A' ' 77' ' ' VAL . 2.0 t -60.25 -39.86 81.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 t -66.73 -39.91 88.14 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.554 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.8 mtp -70.04 -41.19 74.54 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.41 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.6 -33.15 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.497 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -40.05 87.95 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.592 HG23 ' CE2' ' B' ' 70' ' ' PHE . 6.5 m -56.87 -37.82 71.87 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.79 83.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.1 m -59.99 -32.87 71.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.553 -0.717 . . . . 0.0 109.484 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.28 -45.95 86.97 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.877 -1.14 . . . . 0.0 108.719 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.084 -1.01 . . . . 0.0 108.775 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.1 -52.49 14.07 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 110.117 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 8.2 t80 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.473 ' O ' ' N ' ' B' ' 2' ' ' GLU . 68.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 3' ' ' LEU . 54.4 p 50.97 10.28 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.169 -0.957 . . . . 0.0 109.71 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 0' ' ' MET . 17.6 pt-20 -75.69 18.51 0.24 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.08 -37.26 79.41 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.46 -0.775 . . . . 0.0 109.4 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.09 -38.07 81.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.116 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -61.8 -40.68 96.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.05 85.9 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.325 -0.859 . . . . 0.0 110.522 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.8 mtt -62.51 -40.02 95.39 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 109.808 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -36.8 77.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.372 0.606 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.99 87.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.729 . . . . 0.0 111.423 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.465 HD23 ' CE ' ' B' ' 74' ' ' MET . 6.5 mp -60.0 -39.99 87.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.707 -1.246 . . . . 0.0 108.658 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.16 -38.8 78.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.667 -0.646 . . . . 0.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -61.57 -49.1 78.0 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.795 -1.191 . . . . 0.0 111.362 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -39.77 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.255 -0.903 . . . . 0.0 110.209 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.92 -38.63 82.88 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.022 -1.048 . . . . 0.0 109.363 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -66.01 -30.23 70.74 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -59.99 -41.02 91.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.306 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -94.92 -21.42 18.65 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.909 -1.119 . . . . 0.0 111.638 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -57.08 -40.04 76.17 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.664 -1.273 . . . . 0.0 107.815 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.92 39.63 2.97 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -64.46 0.99 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.682 -1.481 . . . . 0.0 109.921 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -114.43 -20.17 10.9 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.457 -0.777 . . . . 0.0 109.573 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.73 -14.43 1.77 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 26' ' ' LYS . 4.5 m-20 -76.07 58.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.889 -1.359 . . . . 0.0 108.53 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -60.22 -39.99 88.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -79.63 -20.84 45.8 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.448 -0.783 . . . . 0.0 111.325 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.7 mtmm -140.89 151.56 44.37 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.815 -1.178 . . . . 0.0 110.665 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.73 134.69 49.5 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 108.773 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 30' ' ' SER . 56.9 tttp -101.34 145.93 28.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 108.837 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 18.1 pttp -42.0 -23.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.308 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.499 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -77.21 -54.73 6.13 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 98.2 mt-10 -60.98 -36.12 78.6 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.03 -41.43 92.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.677 -0.639 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.698 ' NZ ' HD22 ' B' ' 37' ' ' ASN . 62.8 tttm -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.019 -1.051 . . . . 0.0 109.955 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.6 mp0 -65.94 -36.77 84.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.149 -0.969 . . . . 0.0 109.042 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.705 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -60.8 -47.05 88.11 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.652 -1.28 . . . . 0.0 108.606 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.24 -51.51 29.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.758 -0.589 . . . . 0.0 112.011 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.698 HD22 ' NZ ' ' B' ' 33' ' ' LYS . 98.5 m-20 -73.36 -48.98 29.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.139 -0.976 . . . . 0.0 112.436 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -44.98 39.31 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -176.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.858 ' O ' HD23 ' B' ' 40' ' ' LEU . 6.1 tp10 -83.27 -14.83 52.31 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.324 -1.485 . . . . 0.0 111.012 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.858 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.6 mt -138.88 49.53 1.87 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.951 -1.093 . . . . 0.0 110.059 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -63.02 -44.95 94.55 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 109.425 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.05 -38.49 8.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.402 -0.812 . . . . 0.0 110.117 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.278 -0.889 . . . . 0.0 109.288 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.574 HD13 ' N ' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -125.77 135.18 51.74 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.574 ' N ' HD13 ' B' ' 44' ' ' LEU . 16.7 pt-20 -51.87 116.9 2.38 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.208 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.06 150.39 3.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.555 -0.716 . . . . 0.0 110.184 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.67 HD13 ' NH2' ' Y' ' 104' ' ' ARG . 5.1 mm -84.07 141.32 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -107.47 -17.82 14.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.338 -0.851 . . . . 0.0 110.767 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 52.5 tp10 -139.94 141.74 36.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.961 -1.087 . . . . 0.0 109.929 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -60.07 -27.65 67.14 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.722 -0.611 . . . . 0.0 111.029 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.453 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 19.0 pt-20 -60.08 -38.89 84.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.012 -1.055 . . . . 0.0 110.344 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.05 -39.93 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.04 -1.037 . . . . 0.0 108.75 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.431 HG23 HG21 ' B' ' 47' ' ' ILE . 56.8 t -65.26 -38.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.664 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 63.9 t0 -65.25 -36.32 83.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.374 -0.829 . . . . 0.0 110.2 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.24 -40.04 86.25 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.95 -32.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.632 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.95 67.24 Favored 'General case' 0 C--O 1.197 -1.679 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.503 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.92 -39.97 83.13 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.971 -1.706 . . . . 0.0 106.721 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -74.6 -42.98 57.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.743 -0.598 . . . . 0.0 111.219 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 39.1 mt -89.52 -16.61 30.34 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.78 -1.2 . . . . 0.0 110.487 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.632 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.3 t0 -81.53 62.31 5.35 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.0 -39.72 86.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.625 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -80.97 -7.35 59.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.252 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.67 37.33 84.55 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.322 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 44.9 p-10 -105.62 0.57 26.56 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.138 -1.213 . . . . 0.0 110.124 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.55 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.71 5.07 83.0 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -137.45 134.49 35.88 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -102.23 128.59 48.68 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -79.58 172.45 13.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.147 -0.971 . . . . 0.0 110.345 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' A' ' 82' ' ' THR . 13.4 t80 -48.63 -39.97 26.03 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.448 -0.783 . . . . 0.0 109.226 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.92 -52.74 47.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.834 -1.166 . . . . 0.0 110.439 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.0 mt-10 -61.36 -40.19 93.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 111.003 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.9 -36.89 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.001 -1.062 . . . . 0.0 109.496 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.465 ' CE ' HD23 ' B' ' 10' ' ' LEU . 65.3 mmm -60.02 -38.68 83.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.703 -0.623 . . . . 0.0 110.818 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.1 69.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.758 -1.213 . . . . 0.0 110.77 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.042 -1.036 . . . . 0.0 109.002 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.9 t -60.25 -39.64 81.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -66.88 -40.01 87.66 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.579 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 37.6 mtp -69.95 -40.92 75.15 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 111.428 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.8 -33.33 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.922 -1.111 . . . . 0.0 109.594 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.01 87.56 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.592 HG23 ' CE2' ' A' ' 70' ' ' PHE . 5.9 m -56.77 -37.6 71.31 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.12 84.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.9 m -59.99 -32.68 71.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.537 -0.727 . . . . 0.0 109.43 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -58.33 -46.09 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.886 -1.134 . . . . 0.0 108.756 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.26 -40.03 92.55 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.02 . . . . 0.0 108.666 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -73.05 -52.7 13.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.598 -0.689 . . . . 0.0 110.098 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 7.7 t80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.619 ' NH2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 3.5 p-80 -60.0 -39.98 87.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.71 -1.244 . . . . 0.0 108.067 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.615 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 6.3 tmtm? -59.99 -31.52 69.99 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 109.121 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.05 -24.79 47.62 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.252 -0.905 . . . . 0.0 109.554 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.476 ' O ' ' N ' ' X' ' 112' ' ' THR . 29.9 mmt -59.55 -24.52 63.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.684 -1.26 . . . . 0.0 109.496 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.1 p90 -43.78 -43.99 6.46 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.953 -1.092 . . . . 0.0 109.259 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.8 pttt -68.49 -33.89 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.442 -0.787 . . . . 0.0 108.956 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.476 ' N ' ' O ' ' X' ' 109' ' ' MET . 86.1 m -60.64 -40.03 90.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.584 -0.698 . . . . 0.0 109.357 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 . 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.67 ' NH2' HD13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 3.7 p-80 -59.95 -39.98 87.41 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 118.736 -1.186 . . . . 0.0 107.955 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 6.4 tmtm? -59.99 -31.6 70.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.084 -1.01 . . . . 0.0 109.212 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.04 -24.77 47.66 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.468 ' O ' ' N ' ' Y' ' 112' ' ' THR . 29.3 mmt -59.52 -24.44 63.66 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.769 -1.207 . . . . 0.0 109.504 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -44.0 -44.08 7.07 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.871 -1.143 . . . . 0.0 109.246 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.7 pttt -68.24 -34.45 76.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.384 -0.822 . . . . 0.0 108.877 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.468 ' N ' ' O ' ' Y' ' 109' ' ' MET . 87.5 m -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.52 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 0.0 . 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t 59.53 25.02 13.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.801 . . . . 0.0 109.419 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.44 8.94 2.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.032 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 3' ' ' LEU . 3.4 tm? -45.82 -24.68 0.41 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.586 -0.696 . . . . 0.0 109.319 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.32 -39.45 89.28 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.037 -1.04 . . . . 0.0 110.668 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -80.36 -29.95 37.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.985 -1.072 . . . . 0.0 109.583 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.39 -42.06 72.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.319 -0.863 . . . . 0.0 111.832 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.505 ' SD ' HD11 ' A' ' 3' ' ' LEU . 39.5 mtt -72.45 -36.14 68.46 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.719 -1.238 . . . . 0.0 109.767 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 -39.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.741 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.33 69.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.282 -0.886 . . . . 0.0 111.023 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.95 -40.1 87.84 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.89 -39.71 82.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.484 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.12 -41.41 92.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.822 -1.174 . . . . 0.0 111.428 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -40.32 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.165 -0.96 . . . . 0.0 110.346 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.25 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.36 -36.21 79.59 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.525 -0.735 . . . . 0.0 111.086 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -60.03 -40.4 89.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.698 -1.252 . . . . 0.0 110.834 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 35' ' ' LEU . 47.8 m-85 -86.12 -33.49 20.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.759 -1.213 . . . . 0.0 112.073 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 p -60.19 -40.02 88.56 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.747 -1.22 . . . . 0.0 109.426 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.9 5.69 78.04 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.98 -47.42 85.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.976 -1.308 . . . . 0.0 110.544 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -99.68 -53.7 3.12 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.075 -1.015 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.37 -22.93 0.14 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.56 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.5 m-20 -82.49 78.35 9.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.782 -1.422 . . . . 0.0 109.156 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.91 -39.91 94.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -79.95 -10.78 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.891 . . . . 0.0 111.12 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.4 ttmm -141.54 139.55 33.24 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.864 -1.147 . . . . 0.0 110.206 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -108.46 128.74 55.06 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 30' ' ' SER . 49.6 mtmt -97.58 157.54 15.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.762 -1.211 . . . . 0.0 109.683 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -50.02 -23.36 2.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 70.3 m -75.69 -49.52 18.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.46 0.648 . . . . 0.0 109.304 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -66.41 -33.07 74.89 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.88 -41.47 96.08 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.76 -34.59 75.84 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.994 -1.066 . . . . 0.0 109.33 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 8.6 tt -65.25 -49.29 70.19 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.831 -1.168 . . . . 0.0 109.188 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 40' ' ' LEU . 78.4 mt -70.47 -47.39 65.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.396 -0.815 . . . . 0.0 111.169 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -68.98 -38.48 79.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.765 -1.209 . . . . 0.0 111.766 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.588 ' N ' HD22 ' A' ' 38' ' ' ASN . 0.6 OUTLIER -98.83 -32.59 11.27 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.209 -0.932 . . . . 0.0 113.291 -176.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tm-20 -79.62 -14.24 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.104 -1.623 . . . . 0.0 108.547 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 29.8 mt -114.1 62.11 0.66 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 88.3 p -60.05 -39.83 87.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.128 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 42' ' ' HIS . 23.4 t-160 -137.5 3.56 2.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.145 -0.972 . . . . 0.0 110.294 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -49.51 75.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 109.034 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.68 177.19 11.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.068 -1.02 . . . . 0.0 110.857 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' GLU . 54.9 tp10 -53.99 99.95 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.705 0.764 . . . . 0.0 109.5 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' A' ' 41' ' ' SER . 53.5 mp0 -50.42 179.53 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 122.028 0.918 . . . . 0.0 110.114 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -102.65 133.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -106.99 -28.73 9.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.26 -0.9 . . . . 0.0 108.891 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -118.58 143.15 46.98 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.15 -15.81 63.01 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.04 -39.72 86.91 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.944 -1.097 . . . . 0.0 109.143 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.3 t -59.92 -38.09 74.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.382 -0.824 . . . . 0.0 108.864 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.79 -34.54 65.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.727 -0.608 . . . . 0.0 110.494 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 47.2 t0 -70.09 -34.64 73.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.015 -1.053 . . . . 0.0 109.634 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -68.74 -39.97 80.06 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.33 -34.74 72.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.587 ' O ' ' N ' ' A' ' 61' ' ' ASP . 73.0 mmm -70.01 -28.93 65.9 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.615 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.67 -37.05 72.76 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.7 m -78.31 -47.12 18.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.052 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -88.83 -10.86 46.54 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.82 -1.175 . . . . 0.0 110.821 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 57' ' ' MET . 63.0 t0 -80.8 63.32 5.16 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.23 -40.0 80.54 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 p-10 -80.72 -6.6 58.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.137 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 36.53 91.23 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 120.097 -1.049 . . . . 0.0 110.575 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.8 p-10 -106.45 -1.06 23.58 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.254 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.545 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 79.44 3.93 88.92 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.6 mt-10 -138.03 140.02 39.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.28 130.65 56.19 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.986 -1.071 . . . . 0.0 108.343 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -82.91 165.96 19.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 0.0 110.433 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE2' HG23 ' B' ' 82' ' ' THR . 23.6 t80 -46.23 -29.16 1.49 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.486 -0.759 . . . . 0.0 109.404 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -71.66 -48.85 44.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.224 -0.923 . . . . 0.0 109.142 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.66 -39.92 80.41 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.55 -27.41 65.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.327 -0.858 . . . . 0.0 108.958 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.453 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.03 -39.81 87.19 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.06 71.71 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.976 -1.077 . . . . 0.0 110.054 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.8 -40.08 91.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.34 -36.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.484 -0.76 . . . . 0.0 110.01 -178.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 74' ' ' MET . 3.5 m -68.94 -40.04 79.22 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.57 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.415 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 90.1 mtp -61.67 -50.0 74.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 110.713 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -67.95 -31.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.63 -1.294 . . . . 0.0 109.968 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -60.0 -40.04 87.84 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.4 -0.812 . . . . 0.0 108.992 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.454 HG23 ' CE2' ' B' ' 70' ' ' PHE . 25.2 m -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.95 89.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 108.693 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.45 ' SG ' ' SD ' ' B' ' 7' ' ' MET . 5.6 m -60.09 -32.74 71.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.83 -0.544 . . . . 0.0 109.807 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -59.9 -39.87 86.85 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -39.92 87.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -77.23 -22.37 52.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 110.096 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 43.0 t80 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.404 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 t 59.59 24.69 13.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.412 -0.805 . . . . 0.0 109.628 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.2 9.1 2.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.023 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.773 ' O ' HD13 ' B' ' 3' ' ' LEU . 3.4 tm? -45.97 -24.89 0.47 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.601 -0.687 . . . . 0.0 109.289 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.14 -39.49 89.9 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.066 -1.021 . . . . 0.0 110.711 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.28 -30.2 38.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.949 -1.094 . . . . 0.0 109.632 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.05 73.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.0 111.867 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' HD11 ' B' ' 3' ' ' LEU . 39.6 mtt -72.6 -35.72 67.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.704 -1.248 . . . . 0.0 109.702 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.58 -40.08 86.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.78 69.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.301 -0.874 . . . . 0.0 110.952 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.56 -40.46 87.36 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -67.49 -39.9 83.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.15 -41.38 92.64 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.841 -1.162 . . . . 0.0 111.41 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -40.23 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.983 . . . . 0.0 110.445 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.97 -40.01 87.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.304 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.59 -35.91 79.19 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.412 -0.805 . . . . 0.0 111.166 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -60.02 -40.5 89.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.702 -1.249 . . . . 0.0 110.784 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' B' ' 35' ' ' LEU . 48.5 m-85 -86.08 -33.52 20.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.843 -1.161 . . . . 0.0 112.048 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -60.0 -40.1 88.05 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.755 -1.216 . . . . 0.0 109.536 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 5.54 78.52 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.93 -47.61 85.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.866 -1.373 . . . . 0.0 110.442 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -99.47 -53.91 3.08 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.53 -22.5 0.13 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 -82.5 78.16 9.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.837 -1.39 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.94 -39.95 94.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.481 -0.762 . . . . 0.0 109.982 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -79.86 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.903 . . . . 0.0 111.155 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 14.1 ttmm -141.75 139.47 32.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.795 -1.191 . . . . 0.0 110.088 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -108.54 128.76 55.1 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' B' ' 30' ' ' SER . 50.4 mtmt -97.46 157.44 16.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.707 -1.246 . . . . 0.0 109.749 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -50.0 -23.5 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.404 ' N ' ' C ' ' B' ' 28' ' ' LYS . 56.4 m -75.97 -49.05 18.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.34 -33.38 75.61 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.73 -41.41 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.816 -0.553 . . . . 0.0 109.74 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -60.13 -39.8 87.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.203 -0.936 . . . . 0.0 110.316 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.06 -34.24 74.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.977 -1.077 . . . . 0.0 109.316 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 8.7 tt -65.44 -49.44 69.16 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.739 -1.225 . . . . 0.0 109.1 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.23 -47.65 65.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.436 -0.79 . . . . 0.0 111.211 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.48 -38.9 81.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.799 -1.188 . . . . 0.0 111.78 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.599 ' N ' HD22 ' B' ' 38' ' ' ASN . 0.6 OUTLIER -98.7 -32.69 11.27 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.191 -0.943 . . . . 0.0 113.31 -176.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tm-20 -79.58 -14.07 59.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.108 -1.62 . . . . 0.0 108.577 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.42 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 29.7 mt -114.35 62.0 0.67 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 87.9 p -59.95 -39.74 86.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.156 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' B' ' 42' ' ' HIS . 23.6 t-160 -137.72 3.32 2.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.14 -0.975 . . . . 0.0 110.214 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -49.86 74.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.851 -1.155 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.41 177.3 11.52 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.118 -0.989 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 46' ' ' GLU . 54.9 tp10 -53.93 99.53 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.682 0.753 . . . . 0.0 109.541 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 41' ' ' SER . 54.3 mp0 -50.16 179.47 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.983 0.897 . . . . 0.0 110.253 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -102.48 133.68 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' HG3' HH12 ' Y' ' 104' ' ' ARG . 48.2 mmtt -106.97 -28.51 10.01 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.266 -0.896 . . . . 0.0 108.971 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -118.59 142.69 47.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.624 -0.672 . . . . 0.0 109.737 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.82 -15.88 63.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 14.8 pt-20 -59.9 -39.79 86.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.969 -1.082 . . . . 0.0 109.313 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.407 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 85.2 t -59.96 -37.8 73.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.04 -34.32 63.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.673 -0.642 . . . . 0.0 110.437 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 47.2 t0 -70.16 -34.88 73.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.056 -1.028 . . . . 0.0 109.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -68.7 -40.04 80.22 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 t -66.18 -34.82 72.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 61' ' ' ASP . 72.8 mmm -69.95 -28.79 65.85 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.71 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.86 -36.96 73.06 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -78.39 -47.28 17.96 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.026 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 60' ' ' LEU . 3.8 mm? -88.7 -10.74 47.36 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.805 -1.185 . . . . 0.0 110.821 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 57' ' ' MET . 63.0 t0 -80.83 63.32 5.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.12 -40.09 80.35 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.282 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 42.5 p-10 -80.66 -6.49 58.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.993 -1.067 . . . . 0.0 109.196 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.53 91.43 Favored Glycine 0 N--CA 1.496 2.682 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.531 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.3 p-10 -106.46 -1.04 23.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.078 -1.249 . . . . 0.0 110.224 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.508 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.46 3.74 88.86 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.2 mt-10 -137.69 139.99 40.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.18 130.46 56.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.986 -1.071 . . . . 0.0 108.374 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -82.77 166.05 19.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.31 -0.868 . . . . 0.0 110.434 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 82' ' ' THR . 23.7 t80 -46.26 -29.14 1.49 Allowed 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.503 -0.748 . . . . 0.0 109.501 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.55 -48.68 46.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.144 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.199 -0.938 . . . . 0.0 109.606 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -69.81 -27.16 64.66 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.286 -0.884 . . . . 0.0 108.966 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.446 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.02 -40.01 87.81 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.97 71.45 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.879 -1.138 . . . . 0.0 110.078 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.66 -40.08 90.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.042 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -36.53 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.433 -0.792 . . . . 0.0 109.903 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 74' ' ' MET . 3.6 m -69.17 -40.01 78.38 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.619 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.57 -49.84 75.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 110.804 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.25 -31.06 49.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.727 -1.233 . . . . 0.0 109.961 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.3 m -60.08 -40.08 88.29 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.824 0.821 . . . . 0.0 108.911 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.474 HG23 ' CE2' ' A' ' 70' ' ' PHE . 26.5 m -60.12 -39.9 87.83 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.03 89.21 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.419 ' SG ' ' SD ' ' A' ' 7' ' ' MET . 5.7 m -59.99 -32.78 71.17 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.835 -0.541 . . . . 0.0 109.882 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -59.83 -40.13 87.42 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -59.95 -39.82 86.88 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -77.32 -22.5 51.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.506 -0.746 . . . . 0.0 110.026 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 42.7 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 120.965 -1.085 . . . . 0.0 109.364 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 17.8 p-80 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.581 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.8 ttpt -60.02 -29.57 68.59 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.2 -39.9 80.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.434 -0.791 . . . . 0.0 108.971 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.465 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 7.1 tp -79.67 -24.74 41.57 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.033 0.921 . . . . 0.0 109.661 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' X' ' 110' ' ' PHE . 31.3 mmt -60.7 -24.8 65.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.622 -1.298 . . . . 0.0 111.062 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' X' ' 109' ' ' MET . 2.5 p90 -45.28 -39.01 6.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.664 -1.273 . . . . 0.0 110.505 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.465 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 13.4 mtmt -69.9 -40.01 75.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.658 -1.277 . . . . 0.0 108.498 177.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -27.9 66.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.568 -0.707 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.441 HH12 ' HG3' ' B' ' 48' ' ' LYS . 10.3 ptp180 . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.578 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 18.3 p-80 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.578 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.9 ttpt -59.98 -29.66 68.59 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -58.14 -39.91 79.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.338 -0.851 . . . . 0.0 109.003 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.438 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 7.1 tp -79.71 -24.63 41.54 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.972 0.891 . . . . 0.0 109.606 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.408 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 32.0 mmt -60.77 -24.81 66.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.625 -1.297 . . . . 0.0 110.992 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' Y' ' 109' ' ' MET . 2.4 p90 -45.24 -38.83 5.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 110.567 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.438 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 13.5 mtmt -70.02 -39.75 75.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.69 -1.256 . . . . 0.0 108.504 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -28.2 67.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.675 -0.641 . . . . 0.0 . 179.53 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.6 m 60.04 24.84 14.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.49 21.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.399 -0.813 . . . . 0.0 109.33 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.0 tp -59.96 -34.09 72.81 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.09 -40.03 88.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.386 -0.821 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.5 mppt? -69.93 -38.66 76.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.102 -0.999 . . . . 0.0 109.881 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -39.97 83.68 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.217 -0.927 . . . . 0.0 110.976 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.012 -1.055 . . . . 0.0 109.655 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.47 -39.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.622 0.725 . . . . 0.0 109.239 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.98 93.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.693 -0.629 . . . . 0.0 111.648 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.729 -1.232 . . . . 0.0 108.209 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.752 -0.592 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -43.93 97.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.803 -1.186 . . . . 0.0 111.739 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -40.06 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.951 -1.093 . . . . 0.0 110.62 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 27' ' ' LEU . 64.9 t80 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 109.454 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -77.61 -22.21 51.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.92 -1.113 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -55.04 -45.0 75.17 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.102 -0.999 . . . . 0.0 110.569 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CE1' HD23 ' A' ' 35' ' ' LEU . 27.0 p90 -116.18 -26.01 7.38 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.138 -0.976 . . . . 0.0 111.567 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 84.2 p -59.99 -39.95 87.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.656 -1.278 . . . . 0.0 109.322 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.73 -3.5 50.01 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 35.1 ttt-85 -59.98 -44.03 94.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.34 -1.094 . . . . 0.0 109.586 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.4 mm-40 -114.31 160.01 19.56 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.555 0.693 . . . . 0.0 110.06 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.37 -14.72 0.06 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.0 m-20 -80.03 50.65 1.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.785 -1.421 . . . . 0.0 109.714 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -70.62 -40.01 73.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.978 -1.076 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -81.91 -14.24 56.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.238 -0.914 . . . . 0.0 111.066 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.4 pttt -138.74 159.9 40.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.065 -1.022 . . . . 0.0 108.951 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 14' ' ' PHE . 7.5 tp -113.55 120.49 41.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 0.0 109.048 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -94.74 147.8 22.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.824 -1.173 . . . . 0.0 108.703 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.1 pttm -41.49 -23.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.457 -0.777 . . . . 0.0 109.238 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.88 -49.5 37.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.457 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.99 -36.88 83.15 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.119 -0.988 . . . . 0.0 108.911 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.05 -39.03 84.58 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 36.9 tp10 -66.64 -39.96 88.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.405 -0.809 . . . . 0.0 110.261 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.602 ' C ' HD13 ' A' ' 35' ' ' LEU . 3.1 tm? -60.1 -49.52 77.34 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.284 1.04 . . . . 0.0 108.525 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mt -77.53 -48.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.259 -0.901 . . . . 0.0 112.813 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.7 -41.18 27.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.916 -1.115 . . . . 0.0 113.285 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.443 ' OD1' ' OE2' ' A' ' 34' ' ' GLU . 1.7 t-20 -97.06 -33.99 11.33 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.846 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.9 tp10 -88.28 -14.63 37.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.272 -1.518 . . . . 0.0 110.476 -177.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 39' ' ' GLU . 11.0 mt -143.48 51.27 1.36 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.959 -1.088 . . . . 0.0 109.698 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -60.94 -47.76 84.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.042 -1.036 . . . . 0.0 110.404 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -96.86 -37.19 10.34 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.916 -1.115 . . . . 0.0 110.933 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.17 -38.26 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.155 -0.965 . . . . 0.0 110.264 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -125.23 157.78 35.71 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -54.17 106.91 0.22 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.52 144.71 46.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.454 -0.778 . . . . 0.0 109.567 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -91.29 137.96 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -105.03 -19.51 13.81 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 77.9 tt0 -140.04 140.7 36.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.184 -0.948 . . . . 0.0 109.911 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -64.23 -20.55 66.11 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.306 -0.871 . . . . 0.0 110.788 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 17.3 pt-20 -60.04 -37.6 80.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.099 . . . . 0.0 109.286 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.95 -40.01 81.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 59.3 t0 -64.84 -38.25 90.36 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.085 0.945 . . . . 0.0 109.565 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HZ1' ' CD2' ' X' ' 105' ' ' HIS . 33.4 ttpt -68.56 -40.0 80.81 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.22 -27.65 41.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -69.55 -32.63 71.55 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.124 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.8 -37.65 68.9 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.12 -1.613 . . . . 0.0 106.857 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -82.15 -44.15 16.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.764 -0.585 . . . . 0.0 111.81 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 53.2 mt -88.71 -19.02 26.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.855 -1.153 . . . . 0.0 110.771 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.8 t0 -80.9 62.95 5.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 87.6 mt-10 -58.77 -39.16 80.19 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.51 -16.33 61.29 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.2 33.43 87.22 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.0 p-10 -108.2 6.91 27.14 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -1.204 . . . . 0.0 110.247 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.56 10.03 86.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.9 mt-10 -145.64 128.47 16.34 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 135.48 39.31 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.763 -1.211 . . . . 0.0 108.537 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -69.04 160.67 30.55 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.81 -39.97 19.74 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.96 -46.39 89.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.658 -0.651 . . . . 0.0 110.866 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 38.0 mt-10 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.98 -1.075 . . . . 0.0 110.545 -177.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -67.52 -34.42 77.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.067 -1.021 . . . . 0.0 109.458 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.0 mmm -59.95 -35.72 75.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.242 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -32.11 70.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.801 -1.187 . . . . 0.0 110.648 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.756 -1.215 . . . . 0.0 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.7 OUTLIER -61.38 -34.87 63.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.479 0.656 . . . . 0.0 109.458 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -60.06 -39.98 87.88 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.465 -0.772 . . . . 0.0 110.368 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.5 mtm -79.09 -44.45 22.08 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.604 -1.238 . . . . 0.0 111.885 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 20.7 t -60.03 -38.56 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.598 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.08 -39.99 88.0 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -36.99 62.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -62.01 -40.0 94.19 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.98 -36.34 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.635 -0.665 . . . . 0.0 109.818 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -59.95 -40.49 89.17 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.055 -1.028 . . . . 0.0 109.075 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.76 -40.95 98.87 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.9 -1.125 . . . . 0.0 108.421 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.29 -38.31 56.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.446 -0.784 . . . . 0.0 109.721 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.214 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.449 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 60.01 24.74 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.16 -0.962 . . . . 0.0 109.605 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.44 21.85 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 109.254 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.9 tp -60.02 -34.14 72.96 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.205 -0.934 . . . . 0.0 109.325 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -39.95 87.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.343 -0.848 . . . . 0.0 111.122 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.465 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -70.01 -38.75 76.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.052 -1.03 . . . . 0.0 109.778 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.05 83.23 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.916 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -64.12 -39.97 95.19 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -39.81 86.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 CA-C-O 121.587 0.708 . . . . 0.0 109.167 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.15 93.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.706 -0.621 . . . . 0.0 111.647 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.712 -1.243 . . . . 0.0 108.24 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -65.65 -39.97 86.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.828 -0.545 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.81 -44.1 97.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.882 -1.136 . . . . 0.0 111.706 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -39.98 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.94 -1.1 . . . . 0.0 110.647 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' B' ' 27' ' ' LEU . 64.6 t80 -60.01 -39.97 87.62 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.746 -1.221 . . . . 0.0 109.39 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -77.67 -22.08 51.12 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.815 -1.178 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -55.04 -45.02 75.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.168 -0.957 . . . . 0.0 110.574 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' HD23 ' B' ' 35' ' ' LEU . 26.2 p90 -116.16 -26.11 7.35 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.14 -0.975 . . . . 0.0 111.609 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 83.0 p -59.99 -39.9 87.29 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.667 -1.271 . . . . 0.0 109.332 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.9 -3.4 50.97 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.356 -1.497 . . . . 0.0 109.356 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 34.5 ttt-85 -60.03 -43.99 94.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.363 -1.081 . . . . 0.0 109.504 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -114.31 160.0 19.57 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.594 0.711 . . . . 0.0 110.055 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -14.74 0.06 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 98.1 m-20 -79.98 50.75 1.24 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.738 -1.448 . . . . 0.0 109.676 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.69 -40.03 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.21 -13.83 56.5 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.164 -0.96 . . . . 0.0 111.065 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' B' ' 23' ' ' ASP . 52.5 pttt -138.87 159.69 41.53 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.092 -1.005 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' B' ' 14' ' ' PHE . 7.3 tp -113.46 120.59 41.55 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.334 -0.854 . . . . 0.0 109.007 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.5 tttt -94.89 147.77 23.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.22 . . . . 0.0 108.661 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' B' ' 28' ' ' LYS . 24.0 pttm -41.44 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.69 0.757 . . . . 0.0 109.246 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -71.85 -49.34 39.16 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.467 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -66.89 -37.12 83.78 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.126 -0.984 . . . . 0.0 108.915 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -39.09 84.52 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.97 -40.03 87.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.409 -0.807 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 37.2 tp10 -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.453 -0.779 . . . . 0.0 110.222 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.609 HD13 ' C ' ' B' ' 35' ' ' LEU . 3.1 tm? -60.0 -49.52 77.36 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 122.281 1.039 . . . . 0.0 108.577 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -77.57 -47.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 O-C-N 121.371 -0.831 . . . . 0.0 112.848 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.71 -41.27 27.09 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.9 -1.125 . . . . 0.0 113.23 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 34' ' ' GLU . 1.7 t-20 -96.97 -34.08 11.34 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.828 ' O ' HD23 ' B' ' 40' ' ' LEU . 10.7 tp10 -88.25 -14.7 37.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.285 -1.51 . . . . 0.0 110.494 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.828 HD23 ' O ' ' B' ' 39' ' ' GLU . 11.2 mt -143.34 51.19 1.38 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.932 -1.105 . . . . 0.0 109.74 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -60.52 -48.34 82.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.087 -1.008 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.75 -37.06 10.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.924 -1.11 . . . . 0.0 110.915 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.04 -38.59 83.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -0.97 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -125.07 157.83 35.28 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.34 -0.85 . . . . 0.0 109.063 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -54.15 106.95 0.22 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.264 -0.898 . . . . 0.0 109.089 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.53 144.82 46.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.401 -0.812 . . . . 0.0 109.625 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -91.37 137.86 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -104.96 -19.37 13.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.32 -0.862 . . . . 0.0 109.831 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 76.9 tt0 -140.03 140.73 36.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.287 -0.883 . . . . 0.0 109.84 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -64.31 -20.72 66.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 110.777 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 16.8 pt-20 -59.97 -37.57 79.99 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 109.304 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.05 -40.02 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.23 -35.73 75.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 O-C-N 121.957 -0.464 . . . . 0.0 109.753 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -65.05 -38.06 89.62 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.053 0.93 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.658 ' HZ1' ' CD2' ' Y' ' 105' ' ' HIS . 33.0 ttpt -68.57 -40.03 80.75 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -66.18 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.555 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -69.6 -32.66 71.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.175 -1.578 . . . . 0.0 106.809 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 61.4 m -82.19 -44.23 16.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.759 -0.588 . . . . 0.0 111.707 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.416 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 53.2 mt -88.72 -18.9 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.832 -1.168 . . . . 0.0 110.792 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.7 t0 -80.86 62.84 5.03 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 88.7 mt-10 -58.59 -39.32 80.04 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.41 -16.38 61.33 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.54 87.52 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.0 p-10 -108.38 7.02 26.88 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.093 -1.24 . . . . 0.0 110.218 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.51 9.97 86.35 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.7 mt-10 -145.66 128.35 16.2 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 135.57 39.14 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' B' ' 70' ' ' PHE . 78.9 m-20 -69.07 160.8 30.34 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' B' ' 69' ' ' ASP . 2.7 t80 -47.82 -39.86 19.56 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.0 -46.47 89.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.637 -0.664 . . . . 0.0 110.904 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 38.0 mt-10 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.025 -1.047 . . . . 0.0 110.54 -177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.72 -34.12 76.24 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.6 mmm -59.97 -35.77 75.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 110.262 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.09 69.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.76 -1.212 . . . . 0.0 110.544 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.718 -1.239 . . . . 0.0 109.372 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.434 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -61.57 -34.71 62.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 CA-C-O 121.429 0.633 . . . . 0.0 109.454 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 54.1 m -60.0 -40.02 87.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.399 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.9 mtm -78.97 -44.46 22.4 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.993 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 83' ' ' ALA . 21.5 t -60.02 -38.7 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.203 -1.399 . . . . 0.0 109.497 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -36.97 62.85 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -62.18 -39.53 92.98 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.0 -36.71 77.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.59 -0.694 . . . . 0.0 109.857 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -59.94 -40.32 88.54 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.034 -1.041 . . . . 0.0 109.15 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.392 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.27 -38.23 56.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.762 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.244 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' X' ' 104' ' ' ARG . 42.6 mtt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.374 0.607 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.588 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.0 p-80 -57.25 -33.1 67.25 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.917 -1.115 . . . . 0.0 108.373 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.588 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 17.1 ttpp -59.95 -32.83 71.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.38 -39.97 81.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.885 . . . . 0.0 108.707 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.72 -24.54 44.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.403 -0.811 . . . . 0.0 109.871 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.4 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.2 mmt -57.28 -24.76 56.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.647 -1.283 . . . . 0.0 110.465 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.461 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 1.2 p90 -48.87 -33.78 11.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.529 -1.357 . . . . 0.0 109.284 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.461 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.3 OUTLIER -70.59 -40.1 73.44 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.749 -1.219 . . . . 0.0 109.002 176.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -60.82 -32.37 71.75 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.341 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.891 . . . . 0.0 . 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 44.5 mtt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.449 0.642 . . . . 0.0 109.761 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.658 ' CD2' ' HZ1' ' B' ' 55' ' ' LYS . 4.9 p-80 -57.15 -33.08 67.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.953 -1.092 . . . . 0.0 108.361 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.586 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 17.2 ttpp -60.0 -32.86 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.36 -40.0 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 108.725 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 55.5 tp -78.74 -24.47 44.79 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.367 -0.833 . . . . 0.0 109.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 14.8 mmt -57.34 -24.73 56.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.663 -1.273 . . . . 0.0 110.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.462 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 1.2 p90 -48.85 -33.75 11.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.535 -1.353 . . . . 0.0 109.241 -178.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.462 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.3 OUTLIER -70.46 -40.8 73.49 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.7 -1.25 . . . . 0.0 109.0 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -60.06 -32.03 70.55 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.512 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 77.8 mm-40 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 0.0 . 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mtp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p 53.54 36.97 24.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 109.595 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.94 -1.15 21.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.551 -0.718 . . . . 0.0 109.289 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -48.36 -19.52 0.31 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.462 -0.773 . . . . 0.0 109.999 -178.279 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' NE2' ' B' ' 42' ' ' HIS . 99.7 mt-10 -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.24 -1.538 . . . . 0.0 109.014 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -77.35 -38.13 50.84 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.696 -0.628 . . . . 0.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.27 -39.97 71.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.206 -0.934 . . . . 0.0 112.212 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 2.1 mtt -70.04 -39.93 75.44 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.938 -1.101 . . . . 0.0 109.217 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.18 -32.38 47.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 121.568 -0.708 . . . . 0.0 110.207 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.51 -36.08 63.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.774 . . . . 0.0 110.856 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.07 -43.8 95.2 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.26 -38.13 77.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.48 -44.03 96.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.021 -1.049 . . . . 0.0 112.244 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -39.88 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.831 -1.168 . . . . 0.0 109.693 -178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 15.8 t80 -58.69 -39.97 82.28 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.2 -37.03 79.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 111.078 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -59.95 -40.65 89.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.735 -1.228 . . . . 0.0 110.876 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 44.6 m-85 -86.67 -34.32 19.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.697 -1.252 . . . . 0.0 111.924 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 4.9 t -60.05 -40.03 88.02 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.93 -1.106 . . . . 0.0 109.727 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.37 -6.97 77.33 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 20' ' ' ARG . 38.1 ttt-85 -60.01 -46.72 88.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.129 -1.218 . . . . 0.0 109.635 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -115.0 159.63 20.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.65 0.738 . . . . 0.0 110.057 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.36 -18.84 0.6 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 26' ' ' LYS . 5.3 m-20 -79.45 59.78 3.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.829 -1.395 . . . . 0.0 110.053 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' O ' ' OG ' ' A' ' 18' ' ' SER . 33.4 ttmt -62.44 -39.95 95.03 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.955 -1.091 . . . . 0.0 109.345 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.72 -17.97 52.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 111.467 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.5 mttt -140.72 156.54 46.17 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.717 -1.239 . . . . 0.0 111.144 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.01 132.1 53.88 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.4 mtpm? -102.98 150.44 23.54 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' LYS . 19.5 pttp -42.37 -26.55 0.11 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.873 0.844 . . . . 0.0 109.063 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -75.88 -49.91 16.56 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.577 0.703 . . . . 0.0 109.4 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 56.1 tt0 -68.21 -32.99 73.6 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.03 -38.79 83.77 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HD3' HG21 ' A' ' 53' ' ' VAL . 9.2 tptp -57.72 -40.0 78.55 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.0 -40.05 83.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.861 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.718 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.7 tm? -59.97 -50.01 75.44 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.569 -1.332 . . . . 0.0 108.713 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.433 HG23 HD12 ' A' ' 40' ' ' LEU . 49.1 mt -74.97 -46.78 39.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.714 -0.616 . . . . 0.0 112.312 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -66.81 -40.04 87.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.04 -1.038 . . . . 0.0 112.513 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.3 t-20 -99.25 -33.73 10.63 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 39' ' ' GLU . 2.5 tm-20 -82.55 -19.19 39.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.224 -1.547 . . . . 0.0 110.005 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HG23 ' A' ' 36' ' ' ILE . 28.6 mt -115.48 33.46 5.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.21 -0.931 . . . . 0.0 109.282 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -59.95 -40.11 87.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.444 ' NE2' ' OE2' ' B' ' 4' ' ' GLU . 54.8 p-80 -117.49 -11.36 10.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 8.8 t80 -64.33 -43.94 93.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.817 -1.177 . . . . 0.0 109.197 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 44' ' ' LEU . 1.9 pp -160.38 176.59 11.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.821 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -53.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 12.5 pt-20 -61.1 -175.9 0.05 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 109.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.466 HG21 HG23 ' A' ' 53' ' ' VAL . 5.1 mm -93.05 146.96 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 110.049 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 30.1 mmtp -113.73 -23.6 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.702 -0.624 . . . . 0.0 109.633 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -131.88 154.71 48.93 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.99 -25.74 63.75 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.4 -40.02 89.4 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.171 -0.956 . . . . 0.0 110.62 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.37 -39.88 82.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 120.975 -1.078 . . . . 0.0 108.697 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.466 HG23 HG21 ' A' ' 47' ' ' ILE . 61.0 t -62.63 -39.96 86.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.529 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.25 -39.95 92.23 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.64 -0.663 . . . . 0.0 109.627 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.59 -40.02 95.88 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.07 -31.34 53.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.3 mmm -69.96 -28.32 65.45 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.706 -0.798 . . . . 0.0 108.869 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -39.92 87.31 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -80.39 -40.05 27.24 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 76' ' ' PHE . 4.0 mm? -88.34 -18.05 29.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.849 -1.157 . . . . 0.0 110.5 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -79.46 60.87 3.33 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.99 -34.87 73.91 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -77.31 -10.03 59.19 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.32 28.71 72.73 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.78 5.42 28.59 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.104 -1.233 . . . . 0.0 110.263 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.539 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 77.3 9.07 87.02 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -139.49 136.06 34.17 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 16.9 p -103.2 128.09 50.28 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 43.7 t0 -74.33 165.95 24.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.183 -0.948 . . . . 0.0 110.243 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -53.09 -37.1 61.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.19 -0.944 . . . . 0.0 108.898 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.29 -37.88 81.1 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.187 -0.946 . . . . 0.0 109.578 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.96 -40.18 87.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.936 -1.103 . . . . 0.0 109.639 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 77' ' ' VAL . 83.4 t80 -64.94 -33.86 77.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 109.611 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -39.65 85.92 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.877 -0.514 . . . . 0.0 110.398 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.01 68.76 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.674 -1.211 . . . . 0.0 111.083 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.702 ' HB2' HD11 ' A' ' 60' ' ' LEU . 73.1 t80 -70.24 -20.78 63.05 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.139 . . . . 0.0 110.534 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.461 HG11 HD21 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -80.03 -31.65 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.908 -1.12 . . . . 0.0 109.562 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 p -69.91 -40.38 75.61 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.596 -1.242 . . . . 0.0 109.701 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.06 -41.55 70.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.07 -1.019 . . . . 0.0 110.65 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 76' ' ' PHE . 87.7 t -63.35 -39.43 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.455 -1.403 . . . . 0.0 109.092 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -37.02 78.37 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 m -52.37 -39.17 60.45 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 109.366 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.02 -38.8 83.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.329 -0.857 . . . . 0.0 109.961 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -57.43 -39.88 77.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 0.0 109.201 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.681 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.11 -24.25 21.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.015 -1.053 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.5 2.049 0 O-C-N 120.937 -1.102 . . . . 0.0 108.448 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.8 p 53.6 36.99 24.91 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 109.499 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -74.88 -1.42 22.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.535 -0.728 . . . . 0.0 109.168 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.539 HD23 ' O ' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -48.12 -19.66 0.29 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 110.071 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' NE2' ' A' ' 42' ' ' HIS . 98.9 mt-10 -66.8 -40.45 88.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.177 -1.577 . . . . 0.0 109.133 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -77.14 -38.29 52.29 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.763 -0.585 . . . . 0.0 110.906 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -40.02 71.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.197 -0.94 . . . . 0.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.547 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 2.0 mtt -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.834 -1.166 . . . . 0.0 109.229 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -71.25 -32.26 46.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.538 -0.726 . . . . 0.0 110.103 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.23 -36.94 63.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.795 . . . . 0.0 110.717 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -60.0 -43.19 95.35 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.57 -38.43 76.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.859 -0.526 . . . . 0.0 110.215 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.17 -43.85 95.48 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.077 -1.014 . . . . 0.0 112.366 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -39.9 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.766 -1.209 . . . . 0.0 109.565 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' B' ' 70' ' ' PHE . 15.4 t80 -58.44 -40.02 81.41 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 119.301 -0.96 . . . . 0.0 108.718 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.07 -36.83 78.21 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.203 -0.936 . . . . 0.0 111.193 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -59.98 -40.53 89.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.761 -1.212 . . . . 0.0 110.995 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.454 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 44.3 m-85 -86.87 -34.66 19.37 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.76 -1.212 . . . . 0.0 111.881 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 4.9 t -59.9 -40.02 87.39 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.977 -1.077 . . . . 0.0 109.76 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -6.74 76.44 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -60.12 -46.78 88.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.26 . . . . 0.0 109.559 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -115.05 159.4 20.86 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.708 0.766 . . . . 0.0 110.068 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.11 -18.73 0.49 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 26' ' ' LYS . 5.5 m-20 -79.57 59.37 2.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.859 -1.377 . . . . 0.0 110.053 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.472 ' O ' ' OG ' ' B' ' 18' ' ' SER . 33.5 ttmt -62.08 -40.01 94.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.99 -1.069 . . . . 0.0 109.402 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -79.85 -17.88 52.13 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 111.409 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 23' ' ' ASP . 98.9 mttt -140.5 155.95 46.49 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.78 -1.2 . . . . 0.0 111.144 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -107.94 132.13 53.81 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.5 mtpm? -103.09 150.49 23.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -42.44 -26.7 0.12 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.913 0.863 . . . . 0.0 109.062 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.1 t -75.71 -49.98 16.69 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.589 0.709 . . . . 0.0 109.343 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 57.2 tt0 -68.36 -32.79 73.14 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.03 -38.52 82.96 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.417 ' HD3' HG21 ' B' ' 53' ' ' VAL . 9.0 tptp -58.11 -39.8 79.57 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.573 -0.704 . . . . 0.0 109.182 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.34 -39.99 81.73 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.908 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.732 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.01 -50.09 75.11 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.508 -1.37 . . . . 0.0 108.446 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.461 HG23 HD12 ' B' ' 40' ' ' LEU . 41.3 mt -74.77 -46.59 40.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.594 -0.691 . . . . 0.0 112.504 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.01 -40.04 87.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.969 -1.082 . . . . 0.0 112.518 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 1.3 t-20 -98.87 -34.4 10.49 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.15 -19.24 40.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.171 -1.581 . . . . 0.0 110.194 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.461 HD12 HG23 ' B' ' 36' ' ' ILE . 26.1 mt -115.33 33.54 5.39 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.209 -0.932 . . . . 0.0 109.132 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -39.95 87.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 109.978 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.422 ' NE2' ' OE2' ' A' ' 4' ' ' GLU . 53.9 p-80 -117.54 -11.42 10.48 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.379 -0.826 . . . . 0.0 110.273 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 8.9 t80 -64.27 -43.88 93.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.882 -1.136 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.505 ' C ' HD12 ' B' ' 44' ' ' LEU . 2.0 pp -160.78 176.05 11.91 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.251 -0.906 . . . . 0.0 109.751 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.6 tp10 -52.75 96.56 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 44' ' ' LEU . 12.1 pt-20 -61.15 -176.34 0.06 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.501 -0.75 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.46 HG21 HG23 ' B' ' 53' ' ' VAL . 5.2 mm -92.69 147.09 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.325 -0.86 . . . . 0.0 110.001 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.492 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 30.4 mmtp -113.86 -23.93 9.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.665 -0.647 . . . . 0.0 109.597 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -131.76 154.88 48.61 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.32 -0.862 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.98 -25.91 63.84 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.25 -40.0 88.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.34 -39.91 82.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.02 -1.05 . . . . 0.0 108.675 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.46 HG23 HG21 ' B' ' 47' ' ' ILE . 57.6 t -62.65 -40.07 87.06 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.625 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -61.22 -39.78 91.54 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.557 -0.714 . . . . 0.0 109.551 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.71 -40.08 95.88 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.4 mmm -69.95 -28.39 65.53 Favored 'General case' 0 C--O 1.2 -1.544 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -59.91 -39.99 87.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.5 m -80.18 -40.23 27.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.784 -0.573 . . . . 0.0 111.012 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' B' ' 76' ' ' PHE . 4.1 mm? -87.95 -18.38 29.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.919 -1.113 . . . . 0.0 110.585 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 60.7 t0 -79.26 60.84 3.2 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -59.99 -34.94 74.0 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -77.36 -10.26 59.34 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.54 28.7 72.86 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.6 5.27 28.86 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.142 -1.211 . . . . 0.0 110.184 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.569 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 77.51 9.02 87.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -139.52 135.79 33.83 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 16.1 p -102.94 128.26 49.82 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 40.3 t0 -74.3 166.29 23.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -53.49 -37.17 62.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.0 108.906 -179.185 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.09 -37.76 81.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.128 -0.983 . . . . 0.0 109.568 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.48 -40.04 85.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.879 -1.138 . . . . 0.0 109.559 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.439 ' O ' HG23 ' B' ' 77' ' ' VAL . 85.1 t80 -64.5 -34.25 77.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.419 -0.801 . . . . 0.0 109.608 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.96 -39.53 85.9 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.238 0.542 . . . . 0.0 110.412 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.54 68.23 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.695 -1.253 . . . . 0.0 111.293 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.632 ' HB2' HD11 ' B' ' 60' ' ' LEU . 72.0 t80 -70.94 -20.38 62.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.939 -1.1 . . . . 0.0 110.487 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.487 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -80.09 -31.67 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.005 -1.06 . . . . 0.0 109.569 -179.515 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.9 p -69.77 -40.55 76.01 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.604 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -70.99 -41.69 70.63 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.683 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 76' ' ' PHE . 86.3 t -63.23 -39.54 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.498 -1.376 . . . . 0.0 108.985 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -37.06 78.44 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.6 m -52.36 -39.33 60.64 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.99 -38.33 82.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.345 -0.847 . . . . 0.0 109.977 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -57.71 -39.83 78.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.221 -0.924 . . . . 0.0 109.198 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -39.86 87.28 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.261 -0.9 . . . . 0.0 109.77 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.17 -24.27 21.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.123 -0.986 . . . . 0.0 110.594 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.499 2.008 0 O-C-N 120.964 -1.085 . . . . 0.0 108.434 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.477 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 43.0 t-80 -59.86 -40.0 87.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.888 -1.132 . . . . 0.0 108.604 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.83 -30.43 68.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.219 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.01 -39.85 87.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.922 -1.111 . . . . 0.0 108.281 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 tp -69.69 -31.16 69.03 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.631 -0.668 . . . . 0.0 109.547 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.38 55.88 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.769 -1.207 . . . . 0.0 109.794 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.534 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -39.86 -45.94 1.9 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.742 . . . . 0.0 110.494 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.16 -28.84 42.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.975 -1.078 . . . . 0.0 108.951 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.461 ' N ' ' O ' ' X' ' 109' ' ' MET . 94.3 m -59.96 -40.27 88.49 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.406 -0.809 . . . . 0.0 . 178.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.492 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 44.3 t-80 -59.94 -40.01 87.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.92 -1.112 . . . . 0.0 108.577 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.98 -30.39 69.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.116 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.93 -39.93 87.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.861 -1.149 . . . . 0.0 108.25 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.46 -31.12 69.22 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.591 -0.693 . . . . 0.0 109.607 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.35 55.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.718 -1.239 . . . . 0.0 109.802 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 3.9 p90 -39.78 -46.14 1.88 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.456 -0.777 . . . . 0.0 110.462 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.08 -28.93 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.963 -1.086 . . . . 0.0 109.048 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.456 ' N ' ' O ' ' Y' ' 109' ' ' MET . 94.2 m -60.06 -39.9 87.6 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 . 178.837 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.511 ' N ' ' SD ' ' A' ' 0' ' ' MET . 1.9 mpt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 51.89 18.58 0.81 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.506 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.97 -5.24 42.83 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.489 -0.757 . . . . 0.0 109.472 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -42.52 -25.46 0.08 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.745 -0.597 . . . . 0.0 110.37 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLU . 86.0 tt0 -68.76 -39.96 79.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 109.582 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.3 mppt? -75.54 -35.15 60.74 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.514 -0.741 . . . . 0.0 109.841 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -69.93 -43.32 71.89 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.39 -0.819 . . . . 0.0 111.825 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -66.28 -40.04 89.8 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.901 -1.124 . . . . 0.0 109.738 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.72 -35.64 73.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.831 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -70.03 -36.92 75.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.633 -0.667 . . . . 0.0 111.428 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.92 -40.06 87.56 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.766 -1.209 . . . . 0.0 107.79 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -69.13 -39.88 79.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.868 -0.52 . . . . 0.0 111.07 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.54 -41.7 99.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.67 -1.269 . . . . 0.0 111.742 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -39.92 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.897 -1.127 . . . . 0.0 110.185 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 12.0 t80 -59.25 -36.28 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.933 -1.105 . . . . 0.0 108.611 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -70.13 -28.39 65.34 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.183 -0.948 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.07 -42.01 93.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.48 -1.387 . . . . 0.0 110.14 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.89 -39.48 10.2 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.971 -1.081 . . . . 0.0 111.96 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.493 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . 21.2 p -61.0 -40.82 95.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.125 -0.984 . . . . 0.0 110.504 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.87 -11.78 83.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -60.01 -48.04 83.34 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -1.207 . . . . 0.0 109.063 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -93.19 -4.07 52.72 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.34 -8.16 79.5 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.5 m-20 -80.36 67.79 6.31 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.579 -1.542 . . . . 0.0 108.915 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -69.99 -33.43 72.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.957 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -77.28 -29.14 53.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.159 -0.963 . . . . 0.0 110.699 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.9 pttt -136.95 157.77 45.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.148 -0.97 . . . . 0.0 109.497 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -120.01 129.59 54.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 30' ' ' SER . 91.0 mttt -92.84 152.75 19.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.695 -1.253 . . . . 0.0 110.186 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -49.55 -22.58 1.3 Allowed 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 28' ' ' LYS . 26.4 t -76.05 -53.7 7.95 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.511 0.672 . . . . 0.0 109.337 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.99 -33.97 76.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.26 -41.78 97.5 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.885 -0.509 . . . . 0.0 110.192 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.08 -40.03 95.37 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.988 -1.07 . . . . 0.0 110.251 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.16 -38.14 89.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.143 -0.973 . . . . 0.0 109.467 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.692 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.4 tt -65.69 -48.36 72.29 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.05 -1.031 . . . . 0.0 108.903 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.531 HG23 HD12 ' A' ' 40' ' ' LEU . 74.0 mt -73.35 -46.37 49.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.438 -0.788 . . . . 0.0 111.056 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 21.6 t-20 -68.75 -39.69 80.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.928 -1.108 . . . . 0.0 112.368 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.675 ' N ' HD22 ' A' ' 38' ' ' ASN . 0.6 OUTLIER -96.91 -35.57 10.85 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.216 -0.927 . . . . 0.0 113.156 -176.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.23 -10.05 59.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.114 -1.616 . . . . 0.0 109.866 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 HD12 HG23 ' A' ' 36' ' ' ILE . 24.6 mt -117.6 54.79 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.255 -0.903 . . . . 0.0 108.61 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -60.01 -42.44 94.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.11 -0.994 . . . . 0.0 110.498 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -131.76 1.87 4.03 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.222 -0.924 . . . . 0.0 109.968 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -50.32 73.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.168 -0.958 . . . . 0.0 109.396 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.25 -161.5 0.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.064 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.1 tt0 -52.3 94.85 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.752 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.35 152.98 39.84 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.473 HG21 HG23 ' A' ' 53' ' ' VAL . 36.5 mm -82.22 139.39 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.778 -1.201 . . . . 0.0 109.755 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -117.75 -13.66 10.16 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.497 -0.752 . . . . 0.0 109.149 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.75 150.78 46.5 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.25 -0.906 . . . . 0.0 110.762 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -68.29 -26.46 65.66 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.04 -39.93 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.568 -0.707 . . . . 0.0 111.587 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -39.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.754 -1.216 . . . . 0.0 109.012 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.473 HG23 HG21 ' A' ' 47' ' ' ILE . 89.2 t -64.4 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.764 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -62.05 -39.86 93.78 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.577 -0.702 . . . . 0.0 109.944 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.13 -40.0 93.83 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.17 -33.53 61.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.5 mmm -69.96 -30.03 67.3 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.175 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.44 -35.48 67.9 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -80.59 -46.98 14.82 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.713 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 30.6 mt -88.16 -13.99 39.81 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.826 -1.171 . . . . 0.0 110.605 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.6 t0 -79.85 60.32 3.42 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 62.0 mt-10 -59.95 -40.07 87.75 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.871 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -80.49 -5.51 56.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.299 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.15 33.68 85.98 Favored Glycine 0 N--CA 1.497 2.705 0 C-N-CA 120.124 -1.036 . . . . 0.0 110.963 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 47.9 p-10 -106.42 1.24 25.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.006 -1.29 . . . . 0.0 110.103 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.54 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.02 4.19 89.6 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.9 mt-10 -135.17 133.01 38.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.88 123.32 38.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.901 -1.124 . . . . 0.0 108.834 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.33 163.1 25.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 111.213 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t80 -41.26 -43.01 2.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -67.23 -43.72 81.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.417 -0.802 . . . . 0.0 110.082 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 46.8 mt-10 -63.21 -40.17 96.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.925 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.62 -35.78 75.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.789 -1.195 . . . . 0.0 109.164 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.0 mmm -59.94 -37.51 79.72 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.584 -0.698 . . . . 0.0 110.43 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.01 -33.49 73.74 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.745 -1.222 . . . . 0.0 110.673 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.919 -1.113 . . . . 0.0 110.379 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.469 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.15 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 121.198 0.523 . . . . 0.0 109.972 -178.685 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 6.2 p -65.81 -40.05 91.49 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.435 -0.791 . . . . 0.0 110.039 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.0 mtp -70.05 -42.6 72.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.901 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.96 -38.6 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.269 -0.894 . . . . 0.0 109.31 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' CYS . 94.4 m -59.98 -40.03 87.72 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -38.5 33.53 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.01 89.66 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' THR . 61.8 m -61.84 -30.78 71.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.472 -0.767 . . . . 0.0 109.628 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.443 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 53.8 t-80 -59.9 -39.94 87.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.947 -1.096 . . . . 0.0 108.462 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -68.75 -39.91 80.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.857 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -70.09 -43.0 71.98 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.776 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' B' ' 0' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t 51.78 18.59 0.78 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -75.03 -5.25 43.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 109.585 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -42.44 -25.69 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.728 -0.607 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 2' ' ' GLU . 86.0 tt0 -68.78 -39.85 79.98 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.939 -1.1 . . . . 0.0 109.533 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.459 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -75.36 -35.5 61.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.48 -0.763 . . . . 0.0 109.904 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -70.02 -43.25 71.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 111.885 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.4 mtt -66.15 -40.05 90.27 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.966 -1.084 . . . . 0.0 109.684 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.72 -35.57 73.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.663 -0.648 . . . . 0.0 109.723 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -70.02 -37.1 75.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.615 -0.678 . . . . 0.0 111.438 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.94 -40.04 87.6 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.787 -1.196 . . . . 0.0 107.815 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.01 -40.01 80.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.911 -0.493 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.62 -41.55 99.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.61 -1.306 . . . . 0.0 111.765 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -40.03 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.932 -1.105 . . . . 0.0 110.159 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.582 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 13.0 t80 -59.11 -36.45 75.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.89 -1.131 . . . . 0.0 108.55 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -70.11 -28.43 65.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.182 -0.949 . . . . 0.0 111.062 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -60.04 -41.89 93.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.511 -1.368 . . . . 0.0 110.168 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.03 -39.22 10.27 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.938 -1.101 . . . . 0.0 111.967 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 14' ' ' PHE . 20.2 p -61.33 -40.47 94.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.977 . . . . 0.0 110.398 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.11 -11.78 83.23 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -60.03 -47.93 83.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -1.145 . . . . 0.0 109.094 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -93.57 -3.79 52.09 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.49 -8.69 78.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.7 m-20 -80.26 67.86 6.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.566 -1.55 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.01 -33.39 71.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -77.32 -29.39 53.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 51.9 pttt -136.72 157.89 45.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.171 -0.956 . . . . 0.0 109.454 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 tp -119.99 129.92 54.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 30' ' ' SER . 89.2 mttt -93.27 152.8 18.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.728 -1.233 . . . . 0.0 110.098 -178.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -49.54 -22.46 1.26 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.422 ' N ' ' C ' ' B' ' 28' ' ' LYS . 26.8 t -76.22 -53.3 8.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.318 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.31 -41.85 97.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.866 -0.521 . . . . 0.0 110.166 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.07 -40.04 95.4 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.065 -1.022 . . . . 0.0 110.256 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.01 -38.46 91.15 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.397 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.665 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.6 tt -65.38 -48.56 72.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.058 -1.026 . . . . 0.0 108.925 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 HD12 ' B' ' 40' ' ' LEU . 74.0 mt -73.2 -46.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.46 -0.775 . . . . 0.0 111.213 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 21.7 t-20 -68.94 -39.61 79.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.892 -1.13 . . . . 0.0 112.285 -177.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.682 ' N ' HD22 ' B' ' 38' ' ' ASN . 0.6 OUTLIER -96.95 -35.74 10.77 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.161 -0.962 . . . . 0.0 113.194 -176.55 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.04 -10.01 59.75 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.133 -1.604 . . . . 0.0 109.849 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.54 HD12 HG23 ' B' ' 36' ' ' ILE . 24.5 mt -117.75 54.73 0.89 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -59.96 -42.53 94.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.55 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -131.81 2.05 4.02 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.279 -0.888 . . . . 0.0 110.011 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -50.38 72.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.436 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.4 -161.43 0.8 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.771 -1.206 . . . . 0.0 111.092 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' Y' ' 105' ' ' HIS . 86.0 tt0 -52.28 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.65 0.738 . . . . 0.0 110.681 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.43 153.19 39.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.476 HG21 HG23 ' B' ' 53' ' ' VAL . 35.7 mm -82.72 139.02 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.84 -1.163 . . . . 0.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -117.18 -13.43 10.5 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.568 -0.707 . . . . 0.0 109.241 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.79 150.49 46.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.218 -0.926 . . . . 0.0 110.734 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -67.99 -26.57 65.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -60.14 -39.92 88.01 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.569 -0.707 . . . . 0.0 111.659 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.4 -39.7 85.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.772 -1.205 . . . . 0.0 108.966 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.476 HG23 HG21 ' B' ' 47' ' ' ILE . 90.7 t -64.27 -39.99 87.47 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.785 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.04 -40.02 94.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.526 -0.734 . . . . 0.0 109.962 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.18 -33.35 60.42 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.6 mmm -69.97 -30.16 67.44 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.079 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.33 -35.31 67.46 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -80.94 -46.88 14.48 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.591 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.431 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 29.8 mt -88.01 -14.2 39.66 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.881 -1.137 . . . . 0.0 110.7 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.9 t0 -79.73 60.33 3.35 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.452 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 62.1 mt-10 -59.97 -40.02 87.64 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 -178.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -80.59 -5.41 56.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.134 -0.979 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.23 33.67 85.82 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.0 -1.095 . . . . 0.0 110.981 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 47.8 p-10 -106.5 1.33 25.38 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.943 -1.328 . . . . 0.0 110.12 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.0 4.28 89.6 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.9 mt-10 -135.19 133.28 38.92 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 123.38 38.64 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.911 -1.118 . . . . 0.0 108.779 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 70' ' ' PHE . 96.0 m-20 -69.36 163.28 25.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 111.211 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.582 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 6.2 t80 -41.4 -42.87 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.16 -43.94 81.01 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.434 -0.792 . . . . 0.0 110.18 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 46.9 mt-10 -63.16 -40.04 96.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.462 -0.774 . . . . 0.0 110.949 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.92 -35.66 74.73 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.838 -1.163 . . . . 0.0 109.147 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mmm -60.0 -37.62 80.24 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.272 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.455 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.83 -33.51 73.94 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.781 -1.199 . . . . 0.0 110.738 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.892 -1.13 . . . . 0.0 110.314 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.462 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -63.87 -37.92 81.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-O 121.284 0.564 . . . . 0.0 109.934 -178.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 8.5 p -65.84 -40.08 91.41 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 110.093 -178.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.4 mtp -70.16 -42.39 72.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.85 -38.53 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 84' ' ' CYS . 94.2 m -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -38.64 32.45 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.99 89.45 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' B' ' 81' ' ' THR . 61.2 m -61.8 -30.52 70.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.457 -0.777 . . . . 0.0 109.628 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.47 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 54.0 t-80 -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.939 -1.101 . . . . 0.0 108.451 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -68.75 -40.06 79.98 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 108.789 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.0 -42.85 72.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 108.747 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.745 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.498 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 77.6 t60 -58.24 -39.08 78.2 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -58.85 -25.39 63.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.94 -29.36 66.48 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.336 -0.852 . . . . 0.0 109.462 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -56.14 -24.48 41.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.256 -1.527 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.08 -45.0 7.86 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.12 -0.987 . . . . 0.0 109.493 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.569 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 24.2 pttt -61.62 -39.57 91.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 71.7 p -68.33 -27.59 66.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.385 -0.822 . . . . 0.0 109.128 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.452 -0.78 . . . . 0.0 . 179.177 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.45 ' N ' ' OE2' ' B' ' 45' ' ' GLU . 78.3 t60 -58.35 -38.92 78.19 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -58.98 -25.34 63.51 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.98 -29.5 66.62 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.406 -0.809 . . . . 0.0 109.317 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.09 -24.49 40.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.343 -1.473 . . . . 0.0 109.24 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.564 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.09 -44.66 7.68 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.044 -1.035 . . . . 0.0 109.467 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.564 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 24.9 pttt -62.05 -40.0 94.27 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 58.8 p -67.3 -27.88 67.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.828 . . . . 0.0 109.274 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.492 -0.755 . . . . 0.0 . 179.597 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.367 0.603 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.467 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.3 t 62.52 14.04 6.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 109.643 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.15 9.8 2.32 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.98 -39.75 86.76 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.611 -0.68 . . . . 0.0 110.182 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -52.0 -40.01 60.33 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.806 -1.184 . . . . 0.0 110.388 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -69.73 -35.0 74.62 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.192 -0.943 . . . . 0.0 109.387 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.119 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.538 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 28.4 mmm -66.74 -40.01 88.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.71 -34.96 67.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.0 82.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.612 -0.68 . . . . 0.0 111.569 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.567 -1.333 . . . . 0.0 107.822 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.56 -39.67 84.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.854 -0.529 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -65.14 -42.16 94.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.639 -1.288 . . . . 0.0 111.977 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -41.36 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.777 -1.202 . . . . 0.0 110.048 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 63.8 t80 -59.14 -39.18 81.59 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.08 -35.6 79.14 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.547 -0.721 . . . . 0.0 111.198 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.84 -39.96 86.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.673 -1.267 . . . . 0.0 111.214 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.41 -26.21 18.13 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 120.498 -1.377 . . . . 0.0 111.713 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.513 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 66.8 m -60.02 -40.0 87.78 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.979 -1.076 . . . . 0.0 109.6 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.26 43.2 2.98 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.519 ' NE ' ' OE1' ' A' ' 34' ' ' GLU . 13.2 mmt180 -79.85 -70.04 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.068 -1.254 . . . . 0.0 110.442 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.23 -13.0 15.24 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.443 -0.786 . . . . 0.0 110.318 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.44 -11.67 2.48 Favored Glycine 0 N--CA 1.497 2.752 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.855 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 26' ' ' LYS . 11.0 m-20 -80.85 72.68 7.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.564 -1.551 . . . . 0.0 108.628 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -69.99 -45.76 66.64 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.513 0.673 . . . . 0.0 110.185 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.19 -1.8 58.23 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.763 . . . . 0.0 110.568 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' ASP . 3.7 ttmp? -139.45 148.34 42.61 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 108.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -119.7 125.5 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' SER . 64.8 tttm -92.99 149.16 21.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.032 -1.042 . . . . 0.0 109.351 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -46.01 -22.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' LYS . 84.3 p -75.58 -48.71 21.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.61 -35.26 79.76 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.03 -42.08 93.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.844 -0.535 . . . . 0.0 110.27 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.15 -39.95 92.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.057 -1.027 . . . . 0.0 109.935 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' OE1' ' NE ' ' A' ' 20' ' ' ARG . 98.9 mt-10 -67.18 -39.03 86.36 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.248 -0.907 . . . . 0.0 110.011 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.653 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.9 tt -63.97 -48.76 75.21 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.741 -1.225 . . . . 0.0 108.946 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -74.22 -44.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.469 -0.769 . . . . 0.0 111.209 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.578 ' C ' HD22 ' A' ' 38' ' ' ASN . 29.0 t-20 -69.03 -38.9 79.44 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.943 -1.098 . . . . 0.0 112.258 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.679 ' N ' HD22 ' A' ' 38' ' ' ASN . 1.5 m120 -98.27 -35.44 10.34 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -176.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 6.8 tp10 -92.33 -20.71 20.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.454 -1.404 . . . . 0.0 110.664 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.76 28.15 8.6 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.567 -0.708 . . . . 0.0 109.457 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 44' ' ' LEU . 5.2 t -69.43 -60.74 2.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.04 -1.037 . . . . 0.0 111.067 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.47 -41.51 55.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 110.625 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.96 -26.29 64.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 0.0 111.091 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 41' ' ' SER . 4.6 tp -139.56 162.61 34.66 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.781 -1.199 . . . . 0.0 108.384 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 53.5 tp10 -60.7 115.05 3.35 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.983 -1.073 . . . . 0.0 109.494 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' CG ' ' ND2' ' A' ' 37' ' ' ASN . 88.1 tt0 -58.67 144.68 42.56 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.539 0.685 . . . . 0.0 109.781 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.408 HG21 HG23 ' A' ' 53' ' ' VAL . 6.0 mm -81.9 140.07 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -105.64 -17.92 14.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.89 . . . . 0.0 110.679 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -138.6 152.45 48.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.178 -0.951 . . . . 0.0 111.238 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.65 -20.47 63.59 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.18 -39.94 95.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.873 . . . . 0.0 110.616 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.81 -40.01 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.893 -1.129 . . . . 0.0 108.651 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.408 HG23 HG21 ' A' ' 47' ' ' ILE . 58.4 t -67.6 -35.17 72.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.076 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.42 -37.83 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 109.566 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.78 -40.03 88.01 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' X' ' 105' ' ' HIS . 24.9 t -62.68 -34.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.3 mmm -69.95 -29.44 66.58 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.349 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -56.98 -36.58 70.52 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -78.71 -47.48 16.81 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.348 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 34.6 mt -89.0 -11.76 43.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.958 -1.089 . . . . 0.0 111.033 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -79.28 59.41 2.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -57.91 -39.23 77.43 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -74.93 -9.98 59.05 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.28 -0.888 . . . . 0.0 108.794 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.28 30.08 76.44 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -106.51 2.61 26.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.194 -1.18 . . . . 0.0 110.356 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.529 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.02 3.88 89.53 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.81 131.53 35.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.37 130.13 46.43 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -74.39 170.19 16.14 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.025 -1.047 . . . . 0.0 109.724 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.457 ' CE2' HG23 ' B' ' 82' ' ' THR . 3.2 t80 -49.76 -40.0 39.62 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.358 -0.839 . . . . 0.0 108.751 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -62.44 -48.36 80.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.53 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 31.8 mt-10 -60.01 -40.09 88.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.916 -1.115 . . . . 0.0 110.219 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.87 -33.79 76.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 109.321 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.466 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.6 OUTLIER -60.03 -38.53 82.99 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 109.828 -178.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.77 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.833 -1.167 . . . . 0.0 111.584 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 80' ' ' VAL . 92.9 t80 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.814 -1.179 . . . . 0.0 110.99 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -74.13 -32.8 33.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -178.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -67.6 -40.65 84.74 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.869 -1.144 . . . . 0.0 109.888 -179.196 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 ptm -72.0 -43.09 65.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.032 -1.043 . . . . 0.0 110.859 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 76' ' ' PHE . 65.1 t -59.98 -38.12 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.524 -1.36 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.516 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 89.0 m -57.29 -37.53 72.56 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' CE2' ' B' ' 70' ' ' PHE . 3.6 m -54.52 -40.48 68.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.44 88.25 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.3 -34.54 68.82 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.45 -0.781 . . . . 0.0 108.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -60.01 -40.43 89.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.062 -1.024 . . . . 0.0 109.025 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.05 -40.76 90.51 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.427 -0.909 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -72.04 -37.56 69.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.0 109.183 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.447 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 1.3 t 62.31 14.05 6.47 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.284 -0.885 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.29 10.22 2.14 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.0 -39.98 87.65 Favored 'General case' 0 C--O 1.199 -1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.222 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.05 -39.95 60.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.88 -1.138 . . . . 0.0 110.343 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -69.75 -34.79 74.29 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 121.334 -0.854 . . . . 0.0 109.31 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.37 75.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.555 -0.716 . . . . 0.0 112.152 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.516 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 26.1 mmm -66.56 -40.03 88.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.221 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.4 t -68.5 -34.88 67.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.638 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.667 -0.646 . . . . 0.0 111.601 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.596 -1.315 . . . . 0.0 107.758 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.44 -39.51 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.822 -0.549 . . . . 0.0 111.359 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.38 -42.25 92.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.69 -1.256 . . . . 0.0 112.028 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -41.7 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 120.819 -1.176 . . . . 0.0 110.042 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.545 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 62.8 t80 -59.02 -39.17 81.08 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.243 -0.91 . . . . 0.0 108.668 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.15 -35.61 79.3 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.529 -0.732 . . . . 0.0 111.124 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -59.82 -40.03 87.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 0.0 111.214 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.3 -26.25 18.21 Favored 'General case' 0 N--CA 1.51 2.575 0 O-C-N 120.566 -1.334 . . . . 0.0 111.612 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 73.6 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.996 -1.065 . . . . 0.0 109.592 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.43 43.36 3.03 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.522 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 13.2 mmt180 -79.93 -69.97 0.55 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.163 -1.198 . . . . 0.0 110.413 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -107.45 -12.68 15.26 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.439 -0.788 . . . . 0.0 110.339 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.18 -11.83 2.55 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.796 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' B' ' 26' ' ' LYS . 11.5 m-20 -80.68 72.57 7.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.558 -1.554 . . . . 0.0 108.704 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.01 -45.96 66.13 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.535 0.683 . . . . 0.0 110.177 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -88.93 -2.05 58.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.566 -0.709 . . . . 0.0 110.753 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 23' ' ' ASP . 3.8 ttmp? -139.34 148.64 43.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.065 -1.022 . . . . 0.0 108.91 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -119.86 125.67 49.08 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' B' ' 30' ' ' SER . 64.8 tttm -93.51 149.12 21.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 0.0 109.3 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -45.83 -22.11 0.17 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 85.4 p -75.63 -48.92 20.11 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.09 -41.92 93.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.761 -0.587 . . . . 0.0 110.201 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.992 -1.068 . . . . 0.0 109.946 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.522 ' OE1' ' NE ' ' B' ' 20' ' ' ARG . 98.7 mt-10 -67.32 -38.54 85.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.311 -0.868 . . . . 0.0 110.063 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.663 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.7 tt -64.43 -48.49 75.13 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.782 -1.199 . . . . 0.0 109.0 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.39 -44.59 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.494 -0.754 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.575 ' C ' HD22 ' B' ' 38' ' ' ASN . 29.1 t-20 -68.72 -39.3 80.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 112.352 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.687 ' N ' HD22 ' B' ' 38' ' ' ASN . 1.5 m120 -98.27 -35.14 10.44 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.212 -0.93 . . . . 0.0 113.464 -176.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.9 tp10 -92.3 -20.75 20.8 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.495 -1.378 . . . . 0.0 110.664 -177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 35.5 mt -118.21 28.68 8.22 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.603 -0.686 . . . . 0.0 109.357 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' LEU . 5.6 t -69.52 -60.53 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -0.973 . . . . 0.0 110.985 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -75.75 -41.29 53.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.035 -1.041 . . . . 0.0 110.628 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 7.9 t80 -69.96 -26.44 64.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 111.05 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' SER . 4.8 tp -139.47 162.41 35.13 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.854 -1.154 . . . . 0.0 108.33 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.412 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 tp10 -60.87 115.32 3.6 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.951 -1.093 . . . . 0.0 109.5 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.468 ' CG ' ' ND2' ' B' ' 37' ' ' ASN . 88.5 tt0 -58.66 144.67 42.51 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.406 HG21 HG23 ' B' ' 53' ' ' VAL . 5.5 mm -81.85 140.02 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -105.57 -17.8 14.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.237 -0.914 . . . . 0.0 110.707 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -138.95 152.45 47.71 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.107 -0.996 . . . . 0.0 111.27 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.47 -20.61 63.74 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.13 -40.08 95.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.202 -0.936 . . . . 0.0 110.543 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.72 -39.96 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.93 -1.107 . . . . 0.0 108.64 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.406 HG23 HG21 ' B' ' 47' ' ' ILE . 52.1 t -67.82 -34.91 70.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.034 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -66.04 -38.34 88.14 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.674 0.75 . . . . 0.0 109.612 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.93 -39.98 87.49 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.53 -34.77 66.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.1 mmm -70.07 -29.17 66.1 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.353 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.02 -36.61 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -78.82 -47.36 16.79 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 32.6 mt -88.91 -12.0 42.94 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.982 -1.074 . . . . 0.0 111.057 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -79.32 59.41 2.84 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -57.9 -38.93 76.71 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.09 -10.01 59.07 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.11 30.14 76.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 44.2 p-10 -106.57 2.79 26.37 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.137 -1.214 . . . . 0.0 110.373 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.514 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.95 3.73 89.43 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 29.9 mt-10 -135.8 131.49 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.35 130.1 46.41 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -74.3 170.0 16.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.03 -1.044 . . . . 0.0 109.7 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.46 ' CE2' HG23 ' A' ' 82' ' ' THR . 3.2 t80 -49.74 -40.04 39.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.282 -0.886 . . . . 0.0 108.757 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -62.31 -48.41 79.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.306 -0.871 . . . . 0.0 110.534 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 31.9 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.956 -1.09 . . . . 0.0 110.205 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.89 -33.82 76.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.018 . . . . 0.0 109.354 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.427 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -60.0 -38.4 82.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.15 70.13 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.819 -1.175 . . . . 0.0 111.611 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.446 ' O ' HG23 ' B' ' 80' ' ' VAL . 92.3 t80 -68.7 -29.56 68.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.845 -1.159 . . . . 0.0 111.104 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -74.64 -32.42 29.22 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -67.79 -40.61 83.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.775 -1.203 . . . . 0.0 109.833 -179.281 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.424 ' H ' ' HG2' ' B' ' 79' ' ' MET . 20.2 ptm -71.9 -43.15 65.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.04 -1.038 . . . . 0.0 110.955 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 76' ' ' PHE . 62.9 t -60.03 -37.94 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.533 -1.354 . . . . 0.0 109.391 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.538 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 91.1 m -57.38 -37.9 73.4 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.457 HG23 ' CE2' ' A' ' 70' ' ' PHE . 3.6 m -54.09 -40.38 67.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.3 85.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.127 -0.983 . . . . 0.0 108.656 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.52 -34.68 69.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.122 -0.986 . . . . 0.0 108.905 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.99 -41.29 91.72 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.86 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.9 -37.57 70.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.496 -0.753 . . . . 0.0 109.284 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.624 0.726 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 56' ' ' VAL . 42.4 t60 -60.09 -37.12 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.053 -1.029 . . . . 0.0 108.765 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.06 -28.19 67.57 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.426 -0.796 . . . . 0.0 108.863 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -39.97 87.33 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.502 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 6.5 tp -72.87 -27.4 61.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.5 0.667 . . . . 0.0 110.081 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.491 ' O ' ' N ' ' X' ' 112' ' ' THR . 21.9 mmt -56.33 -24.51 44.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.367 -1.458 . . . . 0.0 109.811 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' X' ' 109' ' ' MET . 3.4 p90 -42.85 -39.5 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.997 -1.065 . . . . 0.0 109.93 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.502 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 16.3 mtmt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.571 -1.33 . . . . 0.0 108.586 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.491 ' N ' ' O ' ' X' ' 109' ' ' MET . 69.8 p -61.64 -28.44 69.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.609 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.445 -0.785 . . . . 0.0 . 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 121.557 0.694 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -59.99 -37.2 78.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.125 -0.984 . . . . 0.0 108.717 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.96 -28.28 67.52 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.393 -0.817 . . . . 0.0 108.937 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.04 -39.93 87.65 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.515 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 6.7 tp -72.64 -27.68 62.28 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.484 ' O ' ' N ' ' Y' ' 112' ' ' THR . 23.0 mmt -56.29 -24.43 43.21 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.403 -1.436 . . . . 0.0 109.787 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' Y' ' 109' ' ' MET . 3.4 p90 -42.85 -39.55 2.56 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.99 -1.069 . . . . 0.0 109.922 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.515 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 16.4 mtmt -70.02 -40.5 75.16 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.643 -1.285 . . . . 0.0 108.576 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' Y' ' 109' ' ' MET . 81.8 p -60.12 -29.91 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.69 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 . 179.613 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 63.48 16.74 9.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.302 -0.874 . . . . 0.0 109.617 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.81 7.47 0.36 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.629 0.728 . . . . 0.0 109.248 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -60.08 -33.12 71.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.404 -0.81 . . . . 0.0 111.079 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -59.99 -39.89 87.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.705 -1.247 . . . . 0.0 111.043 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -31.61 58.03 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.734 -1.229 . . . . 0.0 109.807 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.64 73.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 111.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 mtt -65.69 -39.98 91.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.887 -1.133 . . . . 0.0 109.374 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.452 HG13 ' CE2' ' B' ' 88' ' ' PHE . 70.2 t -66.74 -35.19 74.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.83 79.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.558 -1.339 . . . . 0.0 108.08 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.73 -39.36 80.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.757 -0.589 . . . . 0.0 111.053 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.04 -41.11 95.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 111.907 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -73.96 -39.92 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.015 -1.053 . . . . 0.0 110.166 -178.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 81.0 t80 -60.01 -39.38 85.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 109.288 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -68.11 -26.47 65.82 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -59.97 -44.22 94.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.649 -1.282 . . . . 0.0 109.924 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' HH21 ' A' ' 20' ' ' ARG . 77.0 m-85 -91.0 -39.93 11.95 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.021 -1.049 . . . . 0.0 112.09 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 52.6 m -60.95 -39.97 91.54 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.964 -1.085 . . . . 0.0 111.803 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.89 89.6 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 HH22 ' CA ' ' A' ' 31' ' ' GLU . 4.7 ttm180 -59.97 -49.99 75.5 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.745 -0.856 . . . . 0.0 110.572 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.91 1.29 42.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.336 -0.852 . . . . 0.0 110.454 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.0 61.95 Favored Glycine 0 N--CA 1.496 2.671 0 O-C-N 121.19 -0.944 . . . . 0.0 110.747 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 15.3 m-20 -82.25 73.76 9.27 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.429 -1.63 . . . . 0.0 107.915 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -68.58 -41.75 79.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.486 -0.759 . . . . 0.0 110.391 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -91.06 -1.38 57.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.333 -0.854 . . . . 0.0 110.438 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 ttmt -143.49 147.51 34.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 109.305 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.81 130.42 52.35 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.807 . . . . 0.0 108.881 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 30' ' ' SER . 50.8 mtmt -96.08 153.54 17.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.812 -1.18 . . . . 0.0 110.256 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -49.79 -23.09 1.66 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 48.7 m -73.19 -55.34 6.59 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CA ' HH22 ' A' ' 20' ' ' ARG . 38.9 mt-10 -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.0 -41.1 91.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.883 -0.511 . . . . 0.0 109.943 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 86.7 tttt -60.12 -39.93 87.96 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.067 -1.021 . . . . 0.0 110.731 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.43 76.81 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 109.155 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLU . 6.0 tt -62.88 -51.16 68.05 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.076 -1.015 . . . . 0.0 109.405 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -70.37 -45.68 74.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 111.168 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 2.6 m-80 -60.83 -39.97 91.05 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.967 -1.083 . . . . 0.0 110.458 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.4 t-20 -100.95 -32.99 10.38 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' LEU . 66.9 tt0 -92.26 -14.63 28.61 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.183 -1.573 . . . . 0.0 109.99 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 HD23 ' B' ' 3' ' ' LEU . 54.5 mt -131.0 49.54 2.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.42 -0.8 . . . . 0.0 109.315 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 95.3 p -77.28 -68.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.19 -0.944 . . . . 0.0 109.866 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.424 ' N ' ' OG ' ' A' ' 41' ' ' SER . 17.9 p-80 -86.77 -11.12 51.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 109.185 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -63.53 -46.54 85.53 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 44' ' ' LEU . 1.4 pp -158.15 -168.02 2.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.747 -1.221 . . . . 0.0 110.5 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' ND1' ' X' ' 105' ' ' HIS . 86.7 tt0 -52.8 98.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.922 0.867 . . . . 0.0 110.391 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.85 153.69 32.41 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.536 HG21 HG23 ' A' ' 53' ' ' VAL . 34.9 mm -77.6 142.26 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 109.894 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -10.68 12.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.656 -0.652 . . . . 0.0 110.002 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.0 tp10 -159.96 157.1 28.26 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.915 -1.116 . . . . 0.0 109.925 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.561 -0.712 . . . . 0.0 110.782 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.6 pt-20 -60.0 -36.74 77.86 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 110.797 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' NE2' ' X' ' 105' ' ' HIS . 60.0 t -62.51 -40.01 86.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 120.942 -1.099 . . . . 0.0 108.8 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.536 HG23 HG21 ' A' ' 47' ' ' ILE . 56.7 t -63.95 -39.45 85.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.827 -0.545 . . . . 0.0 109.558 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.58 -38.05 89.63 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.498 -0.751 . . . . 0.0 109.972 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -66.39 -39.99 89.39 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 t -66.09 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.9 mmm -71.13 -26.87 63.2 Favored 'General case' 0 C--O 1.2 -1.529 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.647 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.95 -39.94 87.28 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 119.912 -1.742 . . . . 0.0 106.457 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -79.72 -43.27 22.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.34 0.59 . . . . 0.0 111.024 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.2 tp -87.45 -16.07 35.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 110.992 -177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.33 61.92 4.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.77 -37.72 74.16 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 80.8 m-20 -73.89 -14.28 61.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 29.97 76.1 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 25.4 p-10 -106.23 3.21 27.54 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -1.164 . . . . 0.0 110.217 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.483 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.71 1.45 89.25 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 87.6 mt-10 -138.43 141.23 39.53 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 12.9 p -108.61 128.82 55.17 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.062 -1.024 . . . . 0.0 109.506 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.45 160.27 32.7 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.354 0.597 . . . . 0.0 110.254 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.1 -39.96 30.23 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -67.36 -39.3 85.69 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.143 -0.973 . . . . 0.0 109.439 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' A' ' 63' ' ' ASP . 46.7 mt-10 -66.71 -42.9 85.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 109.962 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.435 -0.791 . . . . 0.0 110.056 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.2 mmm -59.98 -36.04 76.3 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.381 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.7 72.45 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.006 -1.059 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 40.2 t80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.965 -1.084 . . . . 0.0 108.846 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.486 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -62.07 -38.16 80.15 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-O 121.412 0.625 . . . . 0.0 109.404 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -61.61 -39.94 93.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.187 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.96 -42.06 58.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 76' ' ' PHE . 60.1 t -61.41 -39.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.188 -0.945 . . . . 0.0 109.608 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -39.8 87.11 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.6 m -52.42 -40.01 61.64 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' PHE . 35.3 m -59.85 -29.61 68.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.364 -0.835 . . . . 0.0 109.41 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -60.01 -40.42 89.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 41.8 mp0 -64.55 -37.03 86.14 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.141 -0.974 . . . . 0.0 110.043 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -93.25 -22.09 19.22 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.134 -0.979 . . . . 0.0 110.581 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 84' ' ' CYS . 39.7 t80 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 0.0 110.624 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.515 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 63.53 16.44 9.62 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -66.76 7.37 0.37 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.518 -0.739 . . . . 0.0 109.229 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.1 tp -59.99 -33.04 71.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 111.207 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.727 -1.233 . . . . 0.0 110.936 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -31.28 58.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.78 -1.2 . . . . 0.0 109.892 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 0.0 111.551 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.445 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 29.8 mtt -66.09 -40.02 90.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.83 -1.169 . . . . 0.0 109.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.441 HG13 ' CE2' ' A' ' 88' ' ' PHE . 62.0 t -66.39 -35.62 75.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.04 81.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.596 -0.69 . . . . 0.0 111.553 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.94 -40.05 87.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.535 -1.353 . . . . 0.0 108.125 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.91 -38.96 79.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.785 -0.572 . . . . 0.0 111.065 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.48 -40.64 93.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.71 -1.244 . . . . 0.0 111.912 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -39.94 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.018 -1.051 . . . . 0.0 110.126 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.503 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 80.8 t80 -59.96 -39.39 85.48 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -0.872 . . . . 0.0 109.259 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.21 -26.34 65.67 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.161 -0.962 . . . . 0.0 110.793 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -60.02 -44.2 94.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.594 -1.316 . . . . 0.0 109.953 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.01 -40.1 11.84 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.923 -1.111 . . . . 0.0 112.014 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 53.2 m -60.74 -40.06 91.02 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.96 -1.088 . . . . 0.0 111.814 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.44 -5.74 89.66 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.415 HH22 ' CA ' ' B' ' 31' ' ' GLU . 5.1 ttm180 -59.92 -50.03 75.37 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.763 -0.845 . . . . 0.0 110.601 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -99.95 1.18 42.45 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.392 -0.818 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -14.01 61.73 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 26' ' ' LYS . 15.2 m-20 -82.27 73.8 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.414 -1.639 . . . . 0.0 107.843 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -68.57 -41.57 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.449 -0.782 . . . . 0.0 110.391 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -91.29 -1.37 57.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.424 -0.797 . . . . 0.0 110.45 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.1 ttmt -143.48 147.47 34.58 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.094 -1.004 . . . . 0.0 109.206 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.9 tp -124.72 130.56 52.64 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.373 -0.83 . . . . 0.0 108.849 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 30' ' ' SER . 51.0 mtmt -96.18 153.46 17.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.766 -1.209 . . . . 0.0 110.367 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -49.74 -23.23 1.69 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 23.3 m -73.44 -54.94 7.07 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.415 ' CA ' HH22 ' B' ' 20' ' ' ARG . 39.0 mt-10 -60.83 -34.31 74.37 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.02 -41.17 91.61 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.94 -0.475 . . . . 0.0 109.849 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.545 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 86.8 tttt -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.12 -0.987 . . . . 0.0 110.708 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' B' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.44 76.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.525 -1.359 . . . . 0.0 109.08 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 39' ' ' GLU . 6.1 tt -62.96 -50.67 69.88 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.075 -1.015 . . . . 0.0 109.52 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.89 -45.63 72.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.365 -0.835 . . . . 0.0 110.974 -177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' B' ' 33' ' ' LYS . 2.6 m-80 -60.84 -40.08 91.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.925 -1.109 . . . . 0.0 110.464 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 1.4 t-20 -100.86 -33.02 10.39 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 35' ' ' LEU . 62.6 tt0 -92.16 -14.97 28.27 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.079 -1.638 . . . . 0.0 110.08 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.425 HD21 HD23 ' A' ' 3' ' ' LEU . 61.6 mt -130.69 49.37 2.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.491 -0.756 . . . . 0.0 109.278 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 87.6 p -77.1 -68.42 0.61 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.193 -0.942 . . . . 0.0 109.847 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.421 ' N ' ' OG ' ' B' ' 41' ' ' SER . 17.6 p-80 -86.87 -10.8 52.55 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.233 -0.917 . . . . 0.0 109.207 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -63.91 -46.2 85.9 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.438 ' C ' HD12 ' B' ' 44' ' ' LEU . 1.4 pp -158.31 -168.05 2.36 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.782 -1.199 . . . . 0.0 110.502 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.53 ' OE2' ' ND1' ' Y' ' 105' ' ' HIS . 86.5 tt0 -52.76 98.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.911 0.862 . . . . 0.0 110.383 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -62.81 153.91 31.5 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.537 HG21 HG23 ' B' ' 53' ' ' VAL . 32.4 mm -77.88 142.3 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.866 -1.146 . . . . 0.0 109.83 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -10.52 12.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.724 -0.61 . . . . 0.0 109.995 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.0 tp10 -159.94 156.95 28.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 109.927 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.99 -34.46 73.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.508 -0.745 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -59.99 -36.54 77.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.139 -0.976 . . . . 0.0 110.943 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.624 HG22 ' NE2' ' Y' ' 105' ' ' HIS . 61.8 t -62.74 -39.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 120.925 -1.109 . . . . 0.0 108.784 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.537 HG23 HG21 ' B' ' 47' ' ' ILE . 53.4 t -63.77 -39.6 86.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.479 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.38 -38.0 89.45 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.521 -0.737 . . . . 0.0 109.99 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -66.46 -39.94 89.11 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.17 -32.02 56.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.6 mmm -71.2 -26.82 63.11 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.664 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -59.95 -39.95 87.35 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 119.952 -1.717 . . . . 0.0 106.464 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.0 m -79.69 -43.13 23.28 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.336 0.589 . . . . 0.0 111.068 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -87.68 -15.91 35.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 111.008 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -80.39 62.01 4.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.76 -37.97 74.58 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 79.9 m-20 -74.01 -13.7 60.91 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.0 76.36 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 25.2 p-10 -106.27 3.46 27.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.257 -1.143 . . . . 0.0 110.218 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.531 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.37 1.36 88.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 88.4 mt-10 -138.09 141.05 40.25 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.9 p -108.46 128.84 55.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.015 -1.053 . . . . 0.0 109.496 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.54 160.23 32.86 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.349 0.595 . . . . 0.0 110.326 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.06 -40.01 29.78 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.41 -38.99 85.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.103 -0.998 . . . . 0.0 109.485 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD2' ' B' ' 63' ' ' ASP . 46.4 mt-10 -67.07 -42.9 83.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.873 -1.142 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.58 -34.48 78.35 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.432 -0.793 . . . . 0.0 110.06 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.93 -35.93 75.98 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.413 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.85 72.62 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.027 -1.045 . . . . 0.0 110.836 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 40.1 t80 -59.94 -39.96 87.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.962 -1.086 . . . . 0.0 108.831 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.444 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -62.01 -38.34 80.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.481 0.658 . . . . 0.0 109.427 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.8 t -61.63 -40.03 93.42 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.1 mtp -74.94 -41.87 58.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.196 -0.94 . . . . 0.0 110.922 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 76' ' ' PHE . 61.5 t -61.49 -40.0 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.476 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.82 87.09 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.474 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.4 m -52.44 -39.93 61.61 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.6 m -59.82 -29.75 68.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.516 -0.74 . . . . 0.0 109.483 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -40.42 89.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.781 -1.199 . . . . 0.0 109.355 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.474 ' OE1' ' O ' ' B' ' 82' ' ' THR . 42.0 mp0 -64.48 -37.22 86.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.23 -0.919 . . . . 0.0 110.013 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.17 -22.02 19.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.099 -1.001 . . . . 0.0 110.628 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' B' ' 84' ' ' CYS . 40.1 t80 . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.106 -0.997 . . . . 0.0 110.576 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.593 ' NE2' HG22 ' A' ' 52' ' ' VAL . 9.0 m-70 -54.5 -32.7 58.49 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.06 -31.02 69.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -40.02 83.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.876 -1.14 . . . . 0.0 108.257 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.0 OUTLIER -76.68 -24.61 53.2 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.267 -0.895 . . . . 0.0 109.216 178.404 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.83 -24.62 64.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.064 -1.647 . . . . 0.0 109.869 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.4 p90 -45.02 -45.68 10.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.959 -1.088 . . . . 0.0 109.982 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 6.7 pttt -69.95 -34.84 73.96 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.294 -0.879 . . . . 0.0 109.146 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' X' ' 111' ' ' LYS . 94.4 m -61.42 -40.01 92.86 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.313 -0.867 . . . . 0.0 108.722 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 0.0 . 179.423 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' NE2' HG22 ' B' ' 52' ' ' VAL . 8.4 m-70 -54.52 -32.61 58.46 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.004 -1.06 . . . . 0.0 108.173 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.94 -31.29 69.72 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.95 83.08 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.246 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.0 OUTLIER -76.77 -24.55 52.9 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.281 -0.887 . . . . 0.0 109.215 178.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.1 mmt -59.85 -24.57 64.32 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.079 -1.638 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.4 p90 -45.13 -45.58 11.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.0 109.964 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.568 ' NZ ' ' CZ ' ' B' ' 76' ' ' PHE . 6.5 pttt -69.81 -35.88 75.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.336 -0.853 . . . . 0.0 109.055 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' Y' ' 111' ' ' LYS . 92.9 m -60.12 -40.0 88.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.98 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 . 179.547 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 55.91 15.77 1.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 109.017 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 5' ' ' LYS . 99.5 mt-10 -73.99 -2.6 24.84 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.461 HD23 HD21 ' B' ' 40' ' ' LEU . 56.5 tp -47.27 -22.27 0.38 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.698 -0.626 . . . . 0.0 109.954 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -70.27 -36.73 74.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.874 -1.141 . . . . 0.0 108.334 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' GLU . 32.6 ttpt -69.82 -39.93 76.19 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.676 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.0 80.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.314 -0.866 . . . . 0.0 111.364 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.469 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 46.0 mtt -65.33 -40.01 93.13 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.859 -1.151 . . . . 0.0 109.888 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.54 -38.83 82.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.192 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.16 86.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.875 -0.516 . . . . 0.0 111.438 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -59.93 -39.95 87.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.848 -1.157 . . . . 0.0 108.146 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.03 -39.14 76.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.795 -0.566 . . . . 0.0 110.5 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.53 -44.55 95.95 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.695 -1.253 . . . . 0.0 111.003 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -35.04 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.141 -0.974 . . . . 0.0 109.407 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -58.29 -39.86 80.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.633 -1.292 . . . . 0.0 108.567 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.97 -21.61 63.23 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.317 -0.864 . . . . 0.0 109.178 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.99 -44.64 94.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.257 -0.902 . . . . 0.0 110.427 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -96.09 -36.85 10.85 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.706 -1.246 . . . . 0.0 111.916 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -60.0 -43.33 95.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.737 -1.227 . . . . 0.0 110.538 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -15.19 80.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -61.13 -43.33 99.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.012 -1.287 . . . . 0.0 108.785 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -113.49 157.0 22.55 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 121.597 0.713 . . . . 0.0 109.314 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.4 -29.45 23.37 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.543 -0.723 . . . . 0.0 111.687 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 26' ' ' LYS . 88.7 m-20 -71.2 56.71 0.22 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.506 -1.585 . . . . 0.0 109.714 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' GLY . 31.2 ttpt -61.98 -39.23 91.49 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.082 -1.011 . . . . 0.0 110.553 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -78.7 -10.1 59.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.03 -1.044 . . . . 0.0 111.793 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 23' ' ' ASP . 58.1 pttt -146.47 156.61 43.4 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.573 -1.329 . . . . 0.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.13 119.0 38.22 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 30' ' ' SER . 83.7 tttt -90.14 150.63 21.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.751 -1.218 . . . . 0.0 108.371 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.2 pttp -43.66 -23.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.246 -0.909 . . . . 0.0 108.929 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.7 t -75.56 -48.2 23.4 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' LYS . 44.3 mt-10 -66.09 -37.79 86.64 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.93 -40.3 88.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.864 -0.523 . . . . 0.0 109.951 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 110.095 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.62 -36.78 76.46 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.62 -49.96 73.14 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.723 -1.236 . . . . 0.0 108.702 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 36' ' ' ILE . 54.9 mt -71.51 -49.69 45.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 111.085 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.575 ' C ' HD22 ' A' ' 38' ' ' ASN . 27.7 t-20 -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.231 -0.918 . . . . 0.0 111.743 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.651 ' N ' HD22 ' A' ' 38' ' ' ASN . 1.4 m120 -98.84 -34.94 10.28 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.244 -0.91 . . . . 0.0 113.281 -176.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -91.85 -21.66 20.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.352 -1.467 . . . . 0.0 109.563 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD21 HD23 ' B' ' 3' ' ' LEU . 57.6 mt -120.71 36.51 4.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.663 -0.648 . . . . 0.0 109.755 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -67.09 -71.58 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.332 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -80.66 -16.57 53.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.4 OUTLIER -60.04 -45.81 91.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.509 -0.744 . . . . 0.0 109.315 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -161.18 -157.3 0.5 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.587 -1.321 . . . . 0.0 110.565 -179.502 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE2' HD13 ' A' ' 47' ' ' ILE . 7.2 tm-20 -50.6 92.82 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.704 0.764 . . . . 0.0 111.222 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' LEU . 86.0 tt0 -63.32 148.33 48.63 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 HG23 ' A' ' 53' ' ' VAL . 30.5 mm -86.8 137.07 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.745 -1.222 . . . . 0.0 109.806 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.03 -24.47 10.76 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.374 -0.828 . . . . 0.0 108.798 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.9 144.48 51.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.612 -0.68 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -18.95 64.6 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -60.53 -39.93 89.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.044 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.428 ' CG1' ' CD2' ' X' ' 105' ' ' HIS . 76.1 t -60.81 -39.98 83.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG23 HG21 ' A' ' 47' ' ' ILE . 51.4 t -62.22 -40.04 86.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 46.8 t0 -60.55 -40.02 90.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.564 0.697 . . . . 0.0 109.237 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.12 -40.4 95.76 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.83 -31.36 53.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.99 -31.68 69.5 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.768 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.07 -39.84 83.36 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -79.4 -46.3 17.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.898 -0.501 . . . . 0.0 111.091 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.1 mm? -88.91 -12.18 42.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.666 -1.271 . . . . 0.0 111.403 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.3 t0 -80.74 62.53 4.81 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.4 -39.74 80.53 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.126 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.77 -12.15 60.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.379 -0.825 . . . . 0.0 108.86 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.19 32.21 79.73 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 4.0 p30 -105.44 6.41 32.46 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.244 -1.15 . . . . 0.0 109.625 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.03 -1.41 88.81 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 65' ' ' ASP . 1.2 pp20? -140.58 138.33 34.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -97.64 129.68 44.71 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -76.45 168.97 19.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.783 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 8.1 t80 -51.31 -40.03 58.14 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -59.93 -50.07 75.19 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.255 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.83 -39.95 95.93 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.82 -32.02 73.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.037 -1.039 . . . . 0.0 109.384 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -59.98 -37.72 80.48 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -178.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.19 72.0 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.794 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -37.64 80.27 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.135 -0.978 . . . . 0.0 109.635 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.63 -34.89 70.79 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-O 121.422 0.63 . . . . 0.0 109.39 -179.381 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -63.13 -41.33 99.29 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.429 -0.794 . . . . 0.0 110.446 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.5 mtm -77.82 -40.42 40.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.911 -1.118 . . . . 0.0 111.298 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.73 -39.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.952 -1.092 . . . . 0.0 109.505 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.95 -38.44 82.46 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 5.5 m -56.17 -39.85 72.99 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.23 85.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 108.764 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 88' ' ' PHE . 38.1 t -60.01 -35.91 76.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.788 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.98 -39.31 85.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.077 . . . . 0.0 109.41 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -39.28 85.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.55 -24.9 17.79 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.104 -0.997 . . . . 0.0 109.684 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 84' ' ' CYS . 2.5 t80 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 15.69 2.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.006 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 5' ' ' LYS . 99.6 mt-10 -74.26 -2.68 25.99 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.479 HD23 HD21 ' A' ' 40' ' ' LEU . 55.8 tp -47.07 -22.71 0.38 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.753 -0.592 . . . . 0.0 109.96 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -70.02 -36.55 75.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.836 -1.165 . . . . 0.0 108.324 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 2' ' ' GLU . 33.5 ttpt -69.91 -40.04 75.84 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.184 0.516 . . . . 0.0 109.759 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.03 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 111.316 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.471 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 45.2 mtt -65.33 -40.02 93.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.808 -1.182 . . . . 0.0 109.785 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.45 -38.79 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-O 121.616 0.722 . . . . 0.0 109.325 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.25 86.74 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.871 -0.518 . . . . 0.0 111.388 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 108.108 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.82 -39.3 77.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.782 -0.574 . . . . 0.0 110.518 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.47 -44.71 95.61 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.727 -1.233 . . . . 0.0 110.996 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -35.17 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.15 -0.969 . . . . 0.0 109.415 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.17 -39.73 79.61 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.634 -1.291 . . . . 0.0 108.557 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -70.02 -21.65 63.18 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.35 -0.844 . . . . 0.0 109.141 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.93 -44.88 94.07 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.278 -0.889 . . . . 0.0 110.349 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -96.01 -36.79 10.91 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 120.827 -1.171 . . . . 0.0 111.93 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.2 p -60.04 -43.42 95.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 110.543 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 -14.64 81.29 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.48 -43.11 99.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.958 -1.319 . . . . 0.0 108.848 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.35 157.23 22.11 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 121.58 0.705 . . . . 0.0 109.306 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.45 -29.82 24.72 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.571 -0.706 . . . . 0.0 111.629 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 26' ' ' LYS . 89.4 m-20 -70.99 56.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.485 -1.597 . . . . 0.0 109.799 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' B' ' 22' ' ' GLY . 31.9 ttpt -62.07 -39.15 91.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.188 -0.945 . . . . 0.0 110.511 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -78.59 -10.19 59.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.017 -1.052 . . . . 0.0 111.743 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.8 pttt -146.56 156.58 43.34 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.604 -1.31 . . . . 0.0 110.245 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.06 119.03 38.33 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 30' ' ' SER . 84.1 tttt -90.37 150.47 21.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.807 -1.183 . . . . 0.0 108.386 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -43.55 -23.54 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.265 -0.897 . . . . 0.0 108.913 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 28' ' ' LYS . 41.5 t -75.33 -48.33 23.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.3 mt-10 -66.06 -37.84 86.84 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.96 -40.23 88.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.911 -0.493 . . . . 0.0 109.972 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 110.157 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.69 -36.53 76.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.741 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.7 -50.0 72.84 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.777 -1.202 . . . . 0.0 108.801 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.55 -49.62 45.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 111.086 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.583 ' C ' HD22 ' B' ' 38' ' ' ASN . 27.3 t-20 -60.98 -39.99 91.71 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.197 -0.939 . . . . 0.0 111.721 -177.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.689 ' N ' HD22 ' B' ' 38' ' ' ASN . 1.3 m120 -98.86 -35.05 10.23 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.219 -0.925 . . . . 0.0 113.226 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.76 -21.54 20.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.362 -1.461 . . . . 0.0 109.623 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 3' ' ' LEU . 56.4 mt -120.77 36.59 4.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.711 -0.618 . . . . 0.0 109.626 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -67.11 -71.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 0.0 110.308 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -80.57 -16.6 53.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.396 -0.815 . . . . 0.0 109.998 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.469 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -60.03 -45.59 92.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.552 -0.717 . . . . 0.0 109.332 -179.105 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 46' ' ' GLU . 0.5 OUTLIER -161.35 -157.22 0.49 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.556 -1.34 . . . . 0.0 110.566 -179.561 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.458 ' OE2' HD13 ' B' ' 47' ' ' ILE . 7.2 tm-20 -50.85 93.05 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.196 -178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 44' ' ' LEU . 86.1 tt0 -63.3 148.35 48.53 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.562 HG21 HG23 ' B' ' 53' ' ' VAL . 30.1 mm -86.87 136.95 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.74 -1.225 . . . . 0.0 109.754 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -110.05 -24.4 10.78 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.87 144.4 51.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.59 -0.694 . . . . 0.0 109.343 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -19.07 64.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -60.41 -39.9 89.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.526 -0.734 . . . . 0.0 109.981 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.83 -40.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.562 HG23 HG21 ' B' ' 47' ' ' ILE . 48.8 t -62.17 -40.06 86.23 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 47.4 t0 -60.52 -40.02 89.94 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.546 0.688 . . . . 0.0 109.207 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.03 -40.53 96.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -66.76 -31.29 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.567 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.5 mmm -70.03 -31.57 69.27 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.722 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -59.05 -39.82 83.19 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 119.927 -1.733 . . . . 0.0 106.41 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.3 m -79.56 -46.34 17.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.887 -0.508 . . . . 0.0 111.056 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -88.89 -11.93 43.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.669 -1.269 . . . . 0.0 111.356 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.97 62.51 4.98 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.147 -1.798 . . . . 0.0 106.147 177.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.37 -39.59 80.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.119 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.86 -12.35 60.15 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 108.813 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.26 32.37 80.47 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 4.0 p30 -105.64 6.31 31.92 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.237 -1.155 . . . . 0.0 109.585 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.24 -1.88 88.35 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.406 ' OE1' ' C ' ' B' ' 67' ' ' GLU . 1.2 pp20? -140.14 138.61 35.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -1.044 . . . . 0.0 109.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -97.72 129.86 44.73 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.57 168.89 19.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.137 -0.977 . . . . 0.0 110.772 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.453 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 8.0 t80 -51.31 -39.78 57.64 Favored 'General case' 0 C--O 1.204 -1.34 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -60.03 -50.02 75.37 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.624 -0.672 . . . . 0.0 109.291 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.94 -31.74 72.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.073 -1.017 . . . . 0.0 109.457 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -60.03 -37.73 80.64 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.472 -0.767 . . . . 0.0 109.21 -178.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -33.04 71.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.1 -37.68 80.68 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.088 -1.007 . . . . 0.0 109.573 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.433 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -67.67 -34.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-O 121.466 0.651 . . . . 0.0 109.491 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.03 -41.28 99.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.448 -0.782 . . . . 0.0 110.378 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtm -77.91 -40.54 39.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.885 -1.134 . . . . 0.0 111.45 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.63 -39.82 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.903 -1.123 . . . . 0.0 109.391 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -60.07 -38.19 82.13 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -56.23 -39.76 73.02 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.29 85.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 108.844 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' B' ' 88' ' ' PHE . 38.4 t -59.92 -35.93 75.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.569 -0.707 . . . . 0.0 109.71 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.37 85.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.96 -1.088 . . . . 0.0 109.443 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -39.33 85.49 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -93.41 -24.99 17.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' B' ' 84' ' ' CYS . 2.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.428 ' CD2' ' CG1' ' A' ' 52' ' ' VAL . 7.0 t-80 -58.18 -34.44 70.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -59.94 -30.31 68.98 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.04 -39.94 87.67 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.928 . . . . 0.0 108.76 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.99 -36.19 74.98 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.346 -0.846 . . . . 0.0 109.01 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 16.9 mmt -50.0 -24.38 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.828 -1.17 . . . . 0.0 109.563 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.9 p90 -46.77 -44.14 18.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.946 -1.096 . . . . 0.0 109.29 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.3 pttt -67.43 -34.52 77.4 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' X' ' 111' ' ' LYS . 59.3 p -65.28 -33.37 75.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.218 -0.926 . . . . 0.0 108.929 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.718 . . . . 0.0 . 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.18 -34.46 70.35 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.168 -0.957 . . . . 0.0 108.744 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.69 -36.52 76.05 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.389 -0.819 . . . . 0.0 108.999 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 16.7 mmt -49.78 -24.43 2.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.838 -1.164 . . . . 0.0 109.682 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.528 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -46.63 -44.47 18.36 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.977 -1.077 . . . . 0.0 109.222 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.528 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.0 pttt -66.91 -35.81 80.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.335 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.1 p -63.65 -33.54 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.261 -0.9 . . . . 0.0 109.248 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.57 -0.706 . . . . 0.0 . 179.663 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 5.5 t 60.13 19.43 8.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.329 -0.857 . . . . 0.0 110.126 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.95 3.03 13.08 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -58.93 -24.79 62.85 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.879 -0.513 . . . . 0.0 109.877 -179.168 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.68 -40.07 94.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.627 -1.296 . . . . 0.0 109.221 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -68.79 -36.27 78.06 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.5 -0.75 . . . . 0.0 109.279 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.0 89.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.463 -0.773 . . . . 0.0 110.759 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.6 mtt -64.82 -40.17 94.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 109.407 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.7 -38.26 81.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.489 0.661 . . . . 0.0 109.245 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.68 94.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.761 -0.587 . . . . 0.0 111.376 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.651 -1.28 . . . . 0.0 108.3 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.53 -39.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.481 -0.762 . . . . 0.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -66.61 -40.39 88.8 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.809 -1.182 . . . . 0.0 111.753 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -39.73 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.93 -1.106 . . . . 0.0 109.558 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.97 -39.94 87.36 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 109.379 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -69.55 -22.21 63.57 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.276 -0.89 . . . . 0.0 109.773 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.717 -1.24 . . . . 0.0 109.832 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -93.19 -37.67 11.97 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 120.784 -1.197 . . . . 0.0 112.043 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -59.88 -39.96 87.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.141 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 -12.91 83.94 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.02 -1.282 . . . . 0.0 108.522 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -113.87 161.04 18.1 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.15 -14.48 0.85 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 120.444 -0.884 . . . . 0.0 110.949 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -74.55 62.91 1.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.754 -1.439 . . . . 0.0 109.488 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.98 -39.97 75.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.412 -0.805 . . . . 0.0 111.386 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -93.05 -0.02 57.22 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.973 -1.08 . . . . 0.0 110.701 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -146.95 170.27 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.894 -1.129 . . . . 0.0 109.24 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -134.62 129.46 34.95 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.7 tttp -96.22 146.98 24.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.714 -1.241 . . . . 0.0 109.894 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 52.8 pttt -42.04 -23.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.497 -0.752 . . . . 0.0 109.57 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 m -74.53 -50.16 19.16 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.26 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.46 -35.37 80.7 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.02 -42.95 95.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.797 -0.564 . . . . 0.0 109.636 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 87.1 tttt -60.21 -40.14 89.09 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.147 -0.971 . . . . 0.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 99.9 mt-10 -69.92 -30.71 68.18 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.964 -1.085 . . . . 0.0 109.088 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.693 HD23 ' C ' ' A' ' 35' ' ' LEU . 6.6 tt -69.89 -42.6 73.22 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.248 -0.907 . . . . 0.0 109.454 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -73.77 -49.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.365 -0.834 . . . . 0.0 112.373 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.56 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 25.4 p30 -84.75 -24.45 28.81 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.321 -1.487 . . . . 0.0 112.888 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.56 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 1.2 m120 -94.99 -35.71 11.86 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.56 -1.338 . . . . 0.0 110.991 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' B' ' 1' ' ' SER . 7.1 tp10 -88.86 -17.23 30.1 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.611 -1.306 . . . . 0.0 109.386 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.13 37.6 4.03 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -59.9 -50.25 74.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 110.862 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.35 -32.11 11.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.05 -1.031 . . . . 0.0 110.659 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.6 t80 -66.94 -34.7 78.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 110.73 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tp -134.81 159.99 39.61 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.5 111.33 1.36 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.109 -0.995 . . . . 0.0 108.591 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.54 155.43 33.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.458 -0.776 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.623 HD13 HH12 ' X' ' 104' ' ' ARG . 30.9 mm -79.8 140.05 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.99 -1.069 . . . . 0.0 108.714 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -20.68 13.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.506 -0.746 . . . . 0.0 110.048 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.4 tp10 -139.78 139.46 36.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.308 -0.87 . . . . 0.0 108.67 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 51' ' ' GLU . 2.8 pp0? -65.2 -22.58 66.91 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.164 -0.96 . . . . 0.0 111.066 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.614 ' N ' ' NE2' ' A' ' 50' ' ' GLN . 18.4 pt-20 -59.98 -38.91 83.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.677 -1.264 . . . . 0.0 109.427 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.15 -40.04 82.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.609 HG23 HG21 ' A' ' 47' ' ' ILE . 64.6 t -60.44 -40.0 82.84 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.28 -39.39 90.21 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 t -68.29 -31.19 50.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.9 mmm -69.88 -30.12 67.49 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.223 -0.991 . . . . 0.0 109.377 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.28 -40.04 84.84 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -84.11 -40.02 18.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.753 -0.592 . . . . 0.0 111.434 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 76' ' ' PHE . 58.5 tp -86.83 -19.0 29.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.106 -0.996 . . . . 0.0 110.129 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.4 t0 -80.69 66.29 6.15 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.43 -39.48 76.31 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.195 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -75.95 -15.95 60.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.265 -0.897 . . . . 0.0 108.621 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.63 31.86 77.17 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 32.9 p-10 -105.85 7.26 32.2 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.209 -1.171 . . . . 0.0 109.827 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.9 2.19 88.23 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 57.8 mt-10 -139.48 137.55 35.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.636 -0.92 . . . . 0.0 109.276 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.5 p -99.66 130.43 45.88 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.15 -0.969 . . . . 0.0 109.031 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 9.1 t70 -74.78 171.3 14.2 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.4 t80 -56.79 -39.94 75.0 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.034 -1.041 . . . . 0.0 109.371 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.13 -39.8 86.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.829 -1.169 . . . . 0.0 109.824 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' HD11 ' A' ' 60' ' ' LEU . 41.4 mt-10 -64.03 -42.55 97.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.919 -1.113 . . . . 0.0 110.145 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.97 -36.31 83.08 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.402 -0.811 . . . . 0.0 109.703 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.1 mmm -60.03 -37.76 80.73 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.788 -0.57 . . . . 0.0 110.517 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.12 72.77 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.792 -1.193 . . . . 0.0 111.233 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' HB2' HD13 ' A' ' 60' ' ' LEU . 59.9 t80 -62.12 -38.78 90.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.002 -1.061 . . . . 0.0 109.773 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.2 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 121.556 0.693 . . . . 0.0 110.074 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -63.99 -40.19 95.81 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.076 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 mtm -74.37 -40.65 61.96 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.951 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.46 -39.76 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.063 -1.023 . . . . 0.0 108.976 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -59.98 -39.94 87.4 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -53.14 -37.38 61.78 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.8 90.92 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' PHE . 19.4 t -59.99 -37.99 81.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 110.168 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.87 -40.87 90.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.824 -1.173 . . . . 0.0 108.238 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -80.61 -23.79 39.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.613 -0.679 . . . . 0.0 110.455 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 122.318 1.056 . . . . 0.0 108.231 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.519 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 5.2 t 59.96 19.26 8.32 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.277 -0.889 . . . . 0.0 110.269 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.75 2.95 12.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.912 0.863 . . . . 0.0 109.043 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.671 ' C ' HD23 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -58.92 -24.53 62.51 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.937 -179.137 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.17 -40.0 93.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.638 -1.289 . . . . 0.0 109.05 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -68.72 -36.19 78.1 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.556 -0.715 . . . . 0.0 109.293 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.98 89.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.9 mtt -64.67 -39.94 94.54 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.389 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.25 -38.08 81.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.823 -0.548 . . . . 0.0 111.415 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.98 -40.03 87.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.514 -1.366 . . . . 0.0 108.286 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -67.77 -39.26 81.67 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 121.493 -0.755 . . . . 0.0 110.39 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.24 -40.58 90.33 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.716 -1.24 . . . . 0.0 111.92 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -39.69 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.976 -1.077 . . . . 0.0 109.578 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -39.89 87.26 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.312 -0.868 . . . . 0.0 109.301 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -69.6 -22.25 63.52 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.824 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.776 -1.203 . . . . 0.0 109.82 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -93.24 -37.5 12.03 Favored 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.818 -1.176 . . . . 0.0 112.146 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.2 t -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.844 -1.16 . . . . 0.0 110.017 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.68 -13.01 83.92 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 67.3 ttt180 -60.1 -45.14 93.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.239 . . . . 0.0 108.594 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.8 161.13 17.94 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.74 -15.01 0.79 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -74.43 63.1 1.04 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.644 -1.503 . . . . 0.0 109.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -70.12 -40.07 75.09 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.389 -0.819 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -92.86 -0.02 57.32 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.94 -1.1 . . . . 0.0 110.766 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.1 170.12 17.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.976 -1.077 . . . . 0.0 109.237 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.29 129.25 35.3 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' SER . 60.7 tttp -96.14 146.86 24.31 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.714 -1.241 . . . . 0.0 109.772 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 52.6 pttt -41.93 -23.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.671 0.748 . . . . 0.0 109.48 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 28' ' ' LYS . 50.6 m -74.55 -50.15 19.15 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.273 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.84 -34.89 79.19 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.97 -42.98 95.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.657 -0.652 . . . . 0.0 109.49 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 87.6 tttt -60.21 -40.02 88.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.271 -0.893 . . . . 0.0 110.711 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.475 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 99.7 mt-10 -70.02 -30.71 68.07 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.941 -1.1 . . . . 0.0 109.123 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.702 HD23 ' C ' ' B' ' 35' ' ' LEU . 6.6 tt -69.99 -42.43 73.09 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 121.214 -0.929 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.98 -49.05 35.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.344 -0.847 . . . . 0.0 112.31 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.562 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 25.4 p30 -84.78 -24.5 28.71 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.28 -1.513 . . . . 0.0 112.843 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.562 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m120 -94.91 -35.86 11.85 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.537 -1.352 . . . . 0.0 111.018 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.8 tp10 -88.68 -17.6 29.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -128.72 37.75 4.05 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -60.08 -50.2 74.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.794 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.37 -32.09 11.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.618 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.7 t80 -66.96 -34.64 78.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.113 -0.992 . . . . 0.0 110.768 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.82 159.97 39.69 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.069 -1.019 . . . . 0.0 109.066 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.243 -0.91 . . . . 0.0 108.586 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.37 155.37 32.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.515 -0.74 . . . . 0.0 109.392 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.615 HG21 HG23 ' B' ' 53' ' ' VAL . 30.9 mm -79.78 140.02 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 O-C-N 120.955 -1.091 . . . . 0.0 108.761 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -20.33 13.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.027 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.1 tp10 -139.94 139.35 36.13 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.181 -0.949 . . . . 0.0 108.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' B' ' 51' ' ' GLU . 2.7 pp0? -65.32 -22.28 66.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.108 -0.995 . . . . 0.0 111.126 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.622 ' N ' ' NE2' ' B' ' 50' ' ' GLN . 18.7 pt-20 -60.17 -38.93 84.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.647 -1.283 . . . . 0.0 109.24 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.07 -39.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.615 HG23 HG21 ' B' ' 47' ' ' ILE . 75.5 t -60.5 -39.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.12 -39.57 90.51 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -60.68 -41.01 94.23 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 t -68.21 -31.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.517 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.9 mmm -70.01 -30.28 67.55 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.323 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.09 -39.97 83.83 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.078 -1.639 . . . . 0.0 106.655 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -84.21 -39.97 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.793 -0.567 . . . . 0.0 111.419 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' B' ' 76' ' ' PHE . 57.0 tp -86.88 -18.98 29.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.116 -0.99 . . . . 0.0 110.139 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.5 t0 -80.83 66.44 6.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -57.7 -39.29 76.85 Favored 'General case' 0 C--N 1.288 -2.076 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.098 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -75.43 -16.83 60.3 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.12 31.65 75.26 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 33.1 p-10 -105.83 7.46 32.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.157 -1.202 . . . . 0.0 109.763 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.63 2.49 88.12 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 56.3 mt-10 -139.5 137.77 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.596 -0.943 . . . . 0.0 109.211 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 9.1 p -99.85 130.39 46.04 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.239 -0.913 . . . . 0.0 109.002 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 9.1 t70 -74.72 171.11 14.51 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.4 t80 -56.57 -40.03 74.49 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.094 -1.004 . . . . 0.0 109.22 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.3 -39.63 85.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.439 ' O ' HD11 ' B' ' 60' ' ' LEU . 40.8 mt-10 -64.07 -42.9 96.81 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.992 -1.068 . . . . 0.0 110.19 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.69 -36.44 82.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.472 -0.768 . . . . 0.0 109.758 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.95 -37.5 79.72 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.338 0.589 . . . . 0.0 110.486 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.781 -1.199 . . . . 0.0 111.075 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.47 ' HB2' HD13 ' B' ' 60' ' ' LEU . 60.0 t80 -62.11 -38.59 89.47 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.991 -1.068 . . . . 0.0 109.635 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.458 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.29 -39.85 82.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-O 121.547 0.689 . . . . 0.0 110.14 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -64.35 -40.03 95.06 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.947 -0.701 . . . . 0.0 111.133 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.0 mtm -74.52 -40.49 61.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.802 -1.159 . . . . 0.0 110.83 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.32 -39.91 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.131 -0.98 . . . . 0.0 109.098 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -39.95 87.49 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -53.08 -37.54 61.75 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.49 92.48 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' B' ' 88' ' ' PHE . 31.9 t -59.89 -37.45 79.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 110.22 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.0 -40.84 90.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.672 -1.268 . . . . 0.0 108.27 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.51 -39.47 91.1 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -80.75 -23.76 39.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 122.366 1.079 . . . . 0.0 108.219 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.727 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.628 0.728 . . . . 0.0 109.182 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.727 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 48.9 t-80 -61.53 -39.99 93.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.06 -1.025 . . . . 0.0 109.102 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.04 -30.34 69.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 109.5 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -59.81 -40.06 87.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.149 -0.97 . . . . 0.0 108.404 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 tp -73.85 -26.79 60.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.337 -0.852 . . . . 0.0 109.686 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.606 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -58.35 -24.41 59.68 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.395 -1.441 . . . . 0.0 110.274 -179.529 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -40.66 -41.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.085 -1.01 . . . . 0.0 109.177 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 19.3 pttt -69.97 -36.69 75.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.805 -0.559 . . . . 0.0 109.542 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.504 ' N ' ' O ' ' X' ' 109' ' ' MET . 37.6 p -63.11 -29.03 70.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.309 -0.869 . . . . 0.0 109.335 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 . 179.731 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.715 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.602 0.715 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.715 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 48.0 t-80 -61.5 -40.11 93.4 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.94 -30.25 68.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.96 -40.06 87.76 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.104 -0.998 . . . . 0.0 108.438 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.414 HD21 ' HZ3' ' Y' ' 111' ' ' LYS . 3.2 tp -73.8 -27.04 60.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.344 -0.848 . . . . 0.0 109.753 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -58.1 -24.38 58.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.387 -1.445 . . . . 0.0 110.183 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.512 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 4.1 p90 -40.71 -41.49 1.54 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.168 -0.957 . . . . 0.0 109.19 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 19.3 pttt -70.06 -37.58 75.55 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.793 -0.567 . . . . 0.0 109.501 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.503 ' N ' ' O ' ' Y' ' 109' ' ' MET . 38.3 p -61.44 -30.02 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.257 -0.902 . . . . 0.0 109.561 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 . -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.2 t 62.13 11.29 4.26 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.338 -0.851 . . . . 0.0 110.355 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.54 24.45 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.047 . . . . 0.0 108.872 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.4 tp -60.03 -31.88 70.38 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -64.8 -37.36 87.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.657 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.04 -40.04 95.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.0 83.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.7 mtt -61.72 -39.97 93.42 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.317 -0.865 . . . . 0.0 109.896 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.86 -40.01 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.0 96.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.7 -0.625 . . . . 0.0 111.691 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.07 -39.94 87.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.751 -1.218 . . . . 0.0 107.939 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.52 -40.02 85.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 O-C-N 121.829 -0.545 . . . . 0.0 110.775 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 41.1 t0 -60.39 -47.65 85.16 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.756 -1.215 . . . . 0.0 111.42 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -39.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.259 -0.9 . . . . 0.0 110.78 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.213 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -68.45 -24.67 64.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.109 -0.994 . . . . 0.0 110.451 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.92 -41.6 96.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.632 -1.293 . . . . 0.0 110.133 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.57 -38.9 11.65 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.895 -1.128 . . . . 0.0 111.919 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 p -60.48 -40.15 90.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 110.356 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.97 -12.33 81.3 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.97 -46.92 87.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -1.178 . . . . 0.0 109.114 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -87.21 -76.0 0.38 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 109.722 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.78 -27.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.605 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.19 7.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.727 -1.455 . . . . 0.0 109.396 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.0 -39.93 75.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.018 -1.052 . . . . 0.0 110.208 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.1 -20.0 46.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.295 -0.878 . . . . 0.0 110.947 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 41.8 tttt -131.62 154.45 48.88 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.179 -0.951 . . . . 0.0 109.949 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 tp -125.72 139.3 53.65 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.462 -0.773 . . . . 0.0 109.274 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' SER . 31.6 ttpt -108.59 148.6 30.08 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -43.45 -24.12 0.09 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.877 . . . . 0.0 109.979 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.463 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 20.8 t -73.69 -51.66 15.91 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.033 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.01 -39.41 94.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.0 -40.26 88.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.23 -39.99 88.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 109.612 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.93 -39.45 93.53 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 0.0 109.152 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.697 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.0 tt -61.01 -49.93 75.44 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.014 -1.054 . . . . 0.0 108.994 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.55 -48.31 53.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.406 -0.809 . . . . 0.0 111.344 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.3 t-20 -64.22 -40.5 96.17 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.136 -0.977 . . . . 0.0 112.678 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 5.2 m120 -99.07 -34.62 10.32 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.199 -0.938 . . . . 0.0 113.0 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.831 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 tt0 -80.07 -9.27 59.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.387 -1.446 . . . . 0.0 109.938 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 39' ' ' GLU . 7.2 mt -141.6 50.31 1.58 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.06 -42.73 95.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.284 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -119.63 -26.12 5.8 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.242 -0.911 . . . . 0.0 110.132 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -61.67 -40.01 93.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.136 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -131.83 160.07 36.7 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.641 -1.223 . . . . 0.0 108.963 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.63 147.23 49.97 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -87.2 135.59 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.868 -1.145 . . . . 0.0 108.551 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -107.05 -17.43 14.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.466 -0.771 . . . . 0.0 110.123 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 45.3 tp10 -140.11 142.43 36.05 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -61.0 -26.84 67.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.651 -0.656 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 16.2 pt-20 -60.01 -37.23 79.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.92 -1.113 . . . . 0.0 110.222 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.05 -40.01 82.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.896 -1.128 . . . . 0.0 108.1 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.64 -37.77 80.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.03 -39.67 90.68 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.037 0.923 . . . . 0.0 109.671 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -66.81 -40.01 87.9 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.13 -28.77 44.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.48 -35.69 79.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -54.57 -37.91 66.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 106.942 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -80.66 -48.26 12.88 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.879 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.7 mt -89.35 -13.77 37.13 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.866 -1.146 . . . . 0.0 111.121 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 57' ' ' MET . 46.7 t0 -80.93 60.84 4.31 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.21 -40.04 84.57 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -74.82 -11.09 60.06 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.77 31.19 74.76 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.1 p-10 -107.67 6.65 27.95 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -1.144 . . . . 0.0 110.166 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 77.69 9.0 87.17 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -140.01 138.43 35.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.854 -0.792 . . . . 0.0 108.936 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 130.54 56.03 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.52 160.04 33.19 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.611 -0.681 . . . . 0.0 109.202 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.428 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.2 t80 -47.69 -36.67 11.58 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.05 -49.35 78.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.513 0.673 . . . . 0.0 109.853 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.0 mt-10 -60.01 -39.95 87.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 110.629 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.38 -31.6 71.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.407 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.428 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -60.04 -36.44 77.29 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.81 . . . . 0.0 109.413 -178.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.8 t80 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.865 -1.147 . . . . 0.0 109.588 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.22 -36.56 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.588 0.708 . . . . 0.0 109.411 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -61.77 -41.76 98.12 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.644 -0.66 . . . . 0.0 110.625 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.1 mtm -75.42 -41.67 55.46 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.489 -1.284 . . . . 0.0 111.427 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 76' ' ' PHE . 23.3 t -63.72 -37.32 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.089 -1.007 . . . . 0.0 109.915 -178.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 122.165 0.983 . . . . 0.0 108.852 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -56.51 -38.7 72.17 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.68 83.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.1 m -59.99 -35.9 76.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.43 -0.794 . . . . 0.0 109.63 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -59.95 -40.72 89.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.003 . . . . 0.0 108.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.66 -39.96 90.29 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -78.45 -47.85 16.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.515 -0.741 . . . . 0.0 110.258 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 3.8 t80 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.321 -0.862 . . . . 0.0 109.111 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.307 0.575 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.3 t 62.11 11.31 4.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.297 -0.877 . . . . 0.0 110.4 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.62 24.61 0.15 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.058 -1.026 . . . . 0.0 108.867 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.5 tp -60.02 -32.03 70.51 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.804 -0.759 . . . . 0.0 108.953 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -64.64 -37.5 87.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.159 -0.963 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.94 -40.03 95.51 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.9 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.01 83.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 110.349 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -61.92 -39.95 93.79 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.904 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.68 -39.98 86.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.02 96.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.784 -0.572 . . . . 0.0 111.682 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -39.99 87.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.717 -1.239 . . . . 0.0 107.97 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.55 -39.95 85.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 O-C-N 121.786 -0.571 . . . . 0.0 110.902 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 41.2 t0 -60.53 -47.51 85.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.767 -1.208 . . . . 0.0 111.459 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -39.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.16 -0.963 . . . . 0.0 110.791 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.61 -39.19 83.41 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.123 -0.985 . . . . 0.0 109.241 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -68.52 -24.55 64.67 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.479 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.94 -41.7 96.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.581 -1.324 . . . . 0.0 110.074 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.53 -39.07 11.57 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.857 -1.152 . . . . 0.0 111.873 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 44.7 p -60.34 -40.03 89.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.777 -1.202 . . . . 0.0 110.403 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.01 -12.34 81.22 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.06 -46.88 88.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -1.16 . . . . 0.0 109.082 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -87.24 -76.08 0.38 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.388 -0.82 . . . . 0.0 109.654 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.73 -27.1 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.595 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.1 7.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.446 . . . . 0.0 109.344 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.96 -39.99 75.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.978 -1.076 . . . . 0.0 110.194 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.07 -19.96 46.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.327 -0.858 . . . . 0.0 110.949 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.7 tttt -131.64 154.56 48.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.182 -0.949 . . . . 0.0 109.918 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -126.14 139.18 53.58 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.409 -0.807 . . . . 0.0 109.294 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' B' ' 30' ' ' SER . 31.9 ttpt -108.42 148.49 30.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.994 -1.066 . . . . 0.0 109.407 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -43.36 -24.2 0.09 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.28 -0.887 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 22.3 t -73.61 -51.52 16.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.007 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.11 -39.39 94.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.05 -40.23 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.687 -0.633 . . . . 0.0 110.437 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.24 -40.02 88.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.755 -1.216 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.98 -39.46 93.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.127 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.7 HD23 ' C ' ' B' ' 35' ' ' LEU . 6.8 tt -60.99 -50.0 75.14 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.936 -1.103 . . . . 0.0 109.022 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 36' ' ' ILE . 62.0 mt -71.43 -48.26 54.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.435 -0.791 . . . . 0.0 111.33 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.4 t-20 -64.26 -40.61 96.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.13 -0.982 . . . . 0.0 112.66 -177.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.459 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 5.1 m120 -99.05 -34.48 10.39 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.2 -0.938 . . . . 0.0 112.977 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.8 ' O ' HD23 ' B' ' 40' ' ' LEU . 18.2 tt0 -80.13 -9.51 59.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.437 -1.415 . . . . 0.0 109.881 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.8 HD23 ' O ' ' B' ' 39' ' ' GLU . 7.3 mt -141.36 50.15 1.61 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.245 -0.91 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.01 -42.66 94.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.0 . . . . 0.0 110.309 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -119.59 -26.28 5.78 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.277 -0.889 . . . . 0.0 110.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.61 -39.92 92.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 110.15 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.91 160.12 36.65 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 9.0 pt-20 -54.45 112.35 0.98 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.006 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.53 146.97 50.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -86.9 135.65 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.851 -1.156 . . . . 0.0 108.52 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -107.08 -17.54 14.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.408 -0.808 . . . . 0.0 110.088 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 45.3 tp10 -140.13 142.6 36.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.192 -0.942 . . . . 0.0 110.535 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -61.1 -26.83 67.94 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.771 -0.581 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 16.1 pt-20 -60.03 -37.21 79.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.825 -1.172 . . . . 0.0 110.177 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.05 -39.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.869 -1.145 . . . . 0.0 108.16 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.73 -37.56 80.01 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.28 -39.66 91.22 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.051 0.929 . . . . 0.0 109.637 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.85 -39.98 87.75 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.09 -28.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -67.36 -35.69 79.85 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.472 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -54.53 -38.04 66.11 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.142 -1.599 . . . . 0.0 106.869 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 -48.22 13.02 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 26.5 mt -89.43 -13.68 37.1 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.816 -1.177 . . . . 0.0 111.115 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.7 t0 -80.93 60.78 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -59.17 -39.96 84.15 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.97 -11.0 60.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.27 74.61 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 33.0 p-10 -107.69 6.54 27.81 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.277 -1.131 . . . . 0.0 110.161 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 77.74 9.03 87.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 108.143 -1.983 . . . . 0.0 108.143 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -139.97 138.42 35.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.885 -0.773 . . . . 0.0 108.945 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.83 130.39 56.11 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.43 159.98 33.21 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.6 -0.687 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.2 t80 -47.66 -36.71 11.47 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.99 -49.28 78.31 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.544 0.688 . . . . 0.0 109.852 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 40.8 mt-10 -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 110.612 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -67.54 -31.42 71.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.956 -1.09 . . . . 0.0 109.417 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.433 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.449 -179.076 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.71 71.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.926 -1.109 . . . . 0.0 110.617 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.441 ' O ' HG23 ' B' ' 80' ' ' VAL . 88.2 t80 -60.03 -39.98 87.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.815 -1.178 . . . . 0.0 109.488 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.441 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.4 OUTLIER -63.0 -36.78 77.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.583 0.706 . . . . 0.0 109.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -61.83 -41.64 98.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.649 -0.657 . . . . 0.0 110.646 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.2 mtm -75.5 -41.55 55.01 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.4 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 76' ' ' PHE . 21.6 t -63.89 -37.11 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.822 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.04 -40.02 87.92 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 122.104 0.954 . . . . 0.0 108.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 m -56.35 -38.9 72.01 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.81 83.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 23.4 m -59.9 -35.75 75.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 109.643 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -59.96 -40.87 90.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.116 -0.99 . . . . 0.0 108.849 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.48 -40.05 89.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -78.57 -47.77 16.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.509 -0.744 . . . . 0.0 110.217 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 3.7 t80 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.341 -0.849 . . . . 0.0 109.061 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' X' ' 109' ' ' MET . 40.2 m80 -66.52 -33.38 75.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.17 -32.79 70.23 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 38.0 ttpt -59.94 -39.0 84.06 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.4 -28.11 68.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 110.08 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -64.13 -24.57 67.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.636 -1.29 . . . . 0.0 110.115 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.656 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.0 -38.45 7.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.534 -1.354 . . . . 0.0 110.378 -178.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.656 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.35 -39.18 33.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.695 -1.253 . . . . 0.0 109.87 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.15 -30.62 38.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.856 -1.153 . . . . 0.0 108.726 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 . 179.414 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 39.7 m80 -66.46 -33.27 75.32 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.36 -32.43 70.11 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 38.2 ttpt -60.0 -39.23 85.08 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.21 -28.28 68.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.523 -0.736 . . . . 0.0 110.046 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -63.94 -24.6 67.79 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.7 -1.25 . . . . 0.0 110.162 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.643 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.06 -38.45 7.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.584 -1.322 . . . . 0.0 110.347 -178.574 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.58 -37.86 35.32 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.743 -1.223 . . . . 0.0 110.05 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -30.01 55.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.923 -1.111 . . . . 0.0 108.54 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 0.0 . 179.235 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.45 0.643 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 p 50.72 22.03 1.04 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.458 -0.776 . . . . 0.0 109.369 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.95 -8.78 57.47 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.538 0.685 . . . . 0.0 109.363 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tt -51.31 -22.94 3.14 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.69 -0.632 . . . . 0.0 110.061 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.93 -40.05 79.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.526 -1.359 . . . . 0.0 109.183 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -70.16 -32.29 70.18 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.03 79.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.849 -0.532 . . . . 0.0 110.769 -178.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -66.67 -39.92 88.38 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.095 -1.003 . . . . 0.0 109.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.14 -37.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.955 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.45 72.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.304 -0.872 . . . . 0.0 110.341 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.74 -34.81 29.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.892 -0.505 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.15 -43.59 95.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.893 -178.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -25.05 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.184 -0.947 . . . . 0.0 109.777 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.88 -40.88 90.2 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.714 -1.242 . . . . 0.0 108.984 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -80.42 -22.65 40.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.431 -0.793 . . . . 0.0 110.433 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -53.38 -47.61 69.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.743 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.548 ' CE1' HD12 ' A' ' 35' ' ' LEU . 25.0 p90 -111.34 -25.98 9.37 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 121.249 -0.907 . . . . 0.0 111.918 -178.463 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.1 t -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.718 -1.239 . . . . 0.0 110.152 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.88 90.39 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -59.99 -48.85 80.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.037 -1.272 . . . . 0.0 109.855 -179.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -89.97 -79.86 0.33 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.223 -0.923 . . . . 0.0 109.975 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.03 -28.91 0.02 OUTLIER Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.433 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' LYS . 22.4 m-20 -73.38 72.26 1.31 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.922 -1.34 . . . . 0.0 108.505 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.99 -49.88 75.93 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.615 -0.678 . . . . 0.0 110.95 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -89.75 -4.43 57.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.058 -1.026 . . . . 0.0 111.464 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 23' ' ' ASP . 18.6 mtpp -135.31 158.11 45.21 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.006 -1.059 . . . . 0.0 110.602 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -125.98 131.76 52.18 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.824 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.7 mttt -103.96 159.99 15.19 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -49.0 -24.62 1.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 28' ' ' LYS . 25.3 t -74.37 -45.38 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.781 179.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -70.05 -34.36 73.11 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.89 -42.96 94.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -62.53 -36.51 82.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.558 -0.714 . . . . 0.0 110.067 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.905 -1.122 . . . . 0.0 109.417 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 17' ' ' TYR . 1.3 tt -68.95 -45.35 70.95 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.956 -1.09 . . . . 0.0 108.975 178.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.607 HG21 HD12 ' A' ' 47' ' ' ILE . 89.4 mt -69.94 -41.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.445 -0.785 . . . . 0.0 111.866 -177.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' C ' HD22 ' A' ' 38' ' ' ASN . 10.9 t-20 -71.1 -39.79 71.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.788 -1.195 . . . . 0.0 111.205 -179.164 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.551 ' N ' HD22 ' A' ' 38' ' ' ASN . 2.0 m120 -100.95 -32.93 10.4 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.5 tp10 -81.68 -14.95 55.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.376 -1.453 . . . . 0.0 110.74 -176.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 44' ' ' LEU . 45.9 mt -115.82 54.85 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.418 -0.801 . . . . 0.0 109.263 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -60.06 -40.4 89.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.124 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.34 -16.56 0.56 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.023 -1.048 . . . . 0.0 110.595 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.5 -45.77 92.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.837 -1.165 . . . . 0.0 109.382 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HB3' HD13 ' A' ' 40' ' ' LEU . 11.5 tp -134.27 149.09 50.9 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.257 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.524 ' O ' ' NH2' ' X' ' 104' ' ' ARG . 88.6 tt0 -56.18 114.11 1.83 Allowed 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.482 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.554 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 1.6 pm0 -66.65 170.48 6.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.646 -0.659 . . . . 0.0 109.693 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 36' ' ' ILE . 86.4 mt -98.28 140.01 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 -24.48 10.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.57 -0.706 . . . . 0.0 110.512 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 59.5 mp0 -115.34 139.94 49.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.431 -0.793 . . . . 0.0 109.181 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -17.86 63.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.108 -0.995 . . . . 0.0 109.457 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.24 -39.97 94.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.949 -1.095 . . . . 0.0 109.802 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.13 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.97 -40.06 85.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.91 -39.22 91.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.467 -0.771 . . . . 0.0 109.867 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -67.44 -39.93 85.4 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.878 0.847 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.69 -29.57 44.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 80.9 mmm -74.17 -26.0 60.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.764 -0.775 . . . . 0.0 109.047 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -39.95 87.75 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -79.29 -40.5 30.28 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.1 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.53 -20.06 27.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.043 -1.036 . . . . 0.0 110.495 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.7 t0 -80.3 62.11 4.32 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -76.3 -11.64 59.94 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.4 31.11 79.65 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 11.3 p30 -107.18 7.87 29.74 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.281 -1.129 . . . . 0.0 110.175 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.22 1.85 86.39 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -141.04 151.34 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.526 -0.985 . . . . 0.0 109.055 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -118.23 138.67 52.18 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -83.25 171.84 13.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.141 -0.974 . . . . 0.0 109.56 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.456 ' CE2' HG23 ' B' ' 82' ' ' THR . 6.6 t80 -52.01 -39.99 60.3 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.165 -0.959 . . . . 0.0 108.756 -179.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -60.42 -51.58 68.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 110.575 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.21 -40.57 96.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.784 -1.198 . . . . 0.0 110.292 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.99 -34.2 74.41 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.478 -0.764 . . . . 0.0 109.956 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.0 -36.76 77.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.366 -0.834 . . . . 0.0 109.818 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.99 73.74 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.004 -1.078 . . . . 0.0 111.311 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.08 -39.96 87.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.919 -1.113 . . . . 0.0 110.364 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.6 -36.03 76.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-O 121.42 0.629 . . . . 0.0 109.522 -178.662 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.07 -40.72 98.51 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.536 -0.728 . . . . 0.0 110.085 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.3 mtp -73.39 -43.59 60.24 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.288 -0.883 . . . . 0.0 111.518 -178.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.24 -37.96 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.096 -1.003 . . . . 0.0 109.894 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.96 -39.85 87.06 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.467 HG23 ' CE2' ' B' ' 70' ' ' PHE . 4.1 m -53.38 -39.99 64.66 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.41 82.81 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.25 -34.77 70.82 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -59.99 -40.69 90.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.063 -1.023 . . . . 0.0 108.276 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.84 -40.04 91.34 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.22 -41.31 77.22 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.127 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.386 0.612 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.9 p 50.59 21.99 0.99 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.831 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.07 -8.66 57.18 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.612 -0.68 . . . . 0.0 109.474 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.4 -23.23 3.59 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.664 -0.648 . . . . 0.0 109.943 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -68.59 -40.09 80.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.693 -1.254 . . . . 0.0 109.235 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.99 78.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.92 -0.488 . . . . 0.0 110.698 -178.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -66.85 -40.03 87.76 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.014 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.99 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.556 -0.715 . . . . 0.0 109.953 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.78 72.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.377 -0.827 . . . . 0.0 110.293 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.06 84.81 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.2 -35.06 32.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.911 -0.493 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.063 -1.023 . . . . 0.0 110.922 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.98 -25.07 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.145 -0.972 . . . . 0.0 109.788 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.71 -41.63 91.24 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.696 -1.252 . . . . 0.0 108.875 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -80.22 -22.12 42.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.456 -0.778 . . . . 0.0 110.546 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -54.0 -47.65 71.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.091 -1.006 . . . . 0.0 110.587 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.533 ' CE1' HD12 ' B' ' 35' ' ' LEU . 23.3 p90 -111.0 -26.15 9.42 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 121.274 -0.891 . . . . 0.0 111.962 -178.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.669 -1.269 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.83 -4.89 90.34 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.313 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.051 -1.264 . . . . 0.0 110.215 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -89.99 -79.83 0.33 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.358 -0.839 . . . . 0.0 110.003 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.14 -28.86 0.02 OUTLIER Glycine 0 N--CA 1.493 2.468 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.395 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' B' ' 26' ' ' LYS . 22.3 m-20 -73.1 72.31 1.17 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.799 -1.413 . . . . 0.0 108.553 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.94 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 0.0 110.95 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -90.02 -4.32 57.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.033 -1.042 . . . . 0.0 111.455 -178.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.0 mtpp -135.25 158.29 44.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.958 -1.089 . . . . 0.0 110.601 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -126.04 131.89 52.08 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.782 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' B' ' 30' ' ' SER . 94.4 mttt -104.09 160.17 15.07 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -49.38 -24.53 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' C ' ' B' ' 28' ' ' LYS . 27.3 t -74.28 -45.51 47.21 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.774 179.136 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -69.91 -34.23 73.23 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.04 -42.39 94.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.586 -0.696 . . . . 0.0 109.152 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -63.41 -36.23 83.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.531 -0.731 . . . . 0.0 109.989 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.989 -1.069 . . . . 0.0 109.558 -178.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -69.72 -44.75 69.68 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.858 -1.137 . . . . 0.0 108.93 179.269 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.638 HG21 HD12 ' B' ' 47' ' ' ILE . 87.8 mt -70.02 -41.33 79.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.465 -0.772 . . . . 0.0 111.837 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.532 ' C ' HD22 ' B' ' 38' ' ' ASN . 10.7 t-20 -71.17 -39.94 71.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.82 -1.175 . . . . 0.0 111.265 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.571 ' N ' HD22 ' B' ' 38' ' ' ASN . 1.9 m120 -100.98 -32.41 10.64 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.265 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.5 tp10 -81.75 -15.06 55.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.422 -1.423 . . . . 0.0 110.661 -176.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' B' ' 44' ' ' LEU . 43.0 mt -115.85 55.34 0.79 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.439 -0.788 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.95 -40.85 90.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.34 -0.85 . . . . 0.0 110.058 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -144.16 -16.51 0.58 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.021 -1.05 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.54 -45.85 92.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.833 -1.167 . . . . 0.0 109.429 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' B' ' 40' ' ' LEU . 11.4 tp -134.31 149.16 50.87 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.497 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 88.3 tt0 -56.11 113.58 1.59 Allowed 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.49 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 1.6 pm0 -66.31 170.79 5.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.563 -0.711 . . . . 0.0 109.665 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.638 HD12 HG21 ' B' ' 36' ' ' ILE . 81.7 mt -98.6 139.96 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.228 -0.92 . . . . 0.0 109.46 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -24.12 10.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.605 -0.685 . . . . 0.0 110.471 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 59.6 mp0 -115.46 140.07 49.47 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.368 -0.832 . . . . 0.0 109.123 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -17.74 63.35 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.4 pt-20 -62.35 -40.05 95.12 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.965 -1.084 . . . . 0.0 109.811 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 87.4 t -60.12 -39.94 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.93 -39.97 85.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.63 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -62.2 -38.95 91.09 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.471 -0.768 . . . . 0.0 109.837 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -67.68 -40.03 84.44 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.926 0.87 . . . . 0.0 108.945 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.45 -29.57 44.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 80.3 mmm -74.26 -26.06 59.99 Favored 'General case' 0 C--O 1.199 -1.559 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.106 179.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.99 -40.0 87.67 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 178.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -79.54 -39.94 30.71 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.101 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.05 -19.93 26.43 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.994 -1.066 . . . . 0.0 110.39 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -80.49 62.25 4.52 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.98 -37.37 79.43 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -76.34 -11.81 59.96 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.17 31.25 80.07 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 11.9 p30 -107.22 7.75 29.58 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.283 -1.128 . . . . 0.0 110.065 -179.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.14 2.18 86.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.7 pt-20 -141.4 151.29 43.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -1.018 . . . . 0.0 108.873 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -118.51 138.52 52.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -82.96 171.95 13.31 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.467 ' CE2' HG23 ' A' ' 82' ' ' THR . 6.4 t80 -51.97 -39.99 60.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.29 -0.881 . . . . 0.0 108.775 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.48 -51.69 68.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.825 . . . . 0.0 110.537 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -61.94 -41.15 97.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.884 -1.135 . . . . 0.0 110.337 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.58 -34.31 74.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.4 -0.812 . . . . 0.0 109.991 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -36.51 77.18 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.33 -0.856 . . . . 0.0 109.783 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.42 74.82 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 118.936 -1.105 . . . . 0.0 111.408 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.04 -40.03 87.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.832 -1.167 . . . . 0.0 110.301 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.473 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.57 -35.82 75.68 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.224 0 CA-C-O 121.402 0.62 . . . . 0.0 109.603 -178.6 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.908 -179.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.69 -43.07 60.34 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 111.505 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.66 -38.12 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.115 -0.991 . . . . 0.0 109.877 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.01 84.08 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.0 m -53.92 -40.32 66.6 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.7 81.56 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 -34.66 71.09 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.0 -40.95 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.995 -1.065 . . . . 0.0 108.401 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.74 -40.03 90.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.2 -41.59 76.9 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.156 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 45' ' ' GLU . 4.5 ptm180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.118 0.485 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 7.2 p80 -60.01 -38.93 84.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.963 -1.086 . . . . 0.0 109.47 -179.53 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.632 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 35.8 ttpt -59.97 -32.39 70.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.474 -0.766 . . . . 0.0 109.194 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.73 -42.73 93.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.02 -1.05 . . . . 0.0 109.176 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.48 -26.07 60.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.882 -1.136 . . . . 0.0 109.63 178.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.521 ' O ' ' N ' ' X' ' 112' ' ' THR . 39.1 mmt -57.24 -24.24 53.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.587 -1.321 . . . . 0.0 109.55 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.41 -41.51 6.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.816 -1.177 . . . . 0.0 109.011 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.503 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 23.2 pttt -69.47 -32.53 71.5 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.521 ' N ' ' O ' ' X' ' 109' ' ' MET . 85.1 m -60.75 -39.92 90.5 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -178.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.428 -0.795 . . . . 0.0 . -179.817 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.497 ' NH2' ' O ' ' B' ' 45' ' ' GLU . 4.4 ptm180 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 7.0 p80 -59.97 -39.07 84.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.857 -1.152 . . . . 0.0 109.443 -179.483 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.639 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 35.9 ttpt -59.99 -32.29 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 109.192 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.38 -43.05 92.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.947 -1.095 . . . . 0.0 109.175 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.45 -26.03 60.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.865 -1.147 . . . . 0.0 109.506 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' Y' ' 112' ' ' THR . 38.4 mmt -57.22 -24.45 54.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.541 -1.349 . . . . 0.0 109.584 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.06 -41.76 5.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.875 -1.141 . . . . 0.0 109.056 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 25.8 pttt -69.22 -33.32 73.12 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' Y' ' 109' ' ' MET . 89.7 m -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.064 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 . -179.668 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.209 0.528 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.06 20.18 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 109.72 179.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.05 -5.91 44.36 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.47 0.653 . . . . 0.0 109.796 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.0 tp -44.06 -24.38 0.15 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.589 -0.694 . . . . 0.0 110.402 -178.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -67.42 -40.04 85.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.554 -1.341 . . . . 0.0 109.045 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.52 -39.98 73.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.496 -0.752 . . . . 0.0 110.02 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.97 94.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.805 . . . . 0.0 111.079 -178.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -67.01 -39.96 87.2 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.033 -1.042 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.5 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.259 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.25 67.49 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.346 -0.846 . . . . 0.0 111.41 -178.399 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.46 -37.32 77.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.92 -47.0 87.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.988 -1.07 . . . . 0.0 111.145 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -38.99 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.891 -1.13 . . . . 0.0 109.685 -179.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 36.1 t80 -56.23 -39.95 73.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.465 -1.397 . . . . 0.0 108.595 -179.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -69.87 -21.84 63.3 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.241 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.97 -43.7 94.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 110.421 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 64.7 m-85 -97.23 -36.26 10.49 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.799 -1.188 . . . . 0.0 112.196 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.498 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 58.0 m -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.944 -1.097 . . . . 0.0 111.122 -177.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.26 -4.2 67.9 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 119.945 -1.121 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -70.05 -45.68 66.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.809 -1.406 . . . . 0.0 110.525 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.57 161.06 17.87 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.523 -0.736 . . . . 0.0 110.252 -178.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -45.7 -23.65 1.0 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.528 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.7 m-20 -72.02 57.98 0.34 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.956 -1.32 . . . . 0.0 108.44 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.3 mtmt -66.4 -39.99 89.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.467 -0.77 . . . . 0.0 110.892 -178.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 85.6 t60 -87.68 -7.74 57.03 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.136 -0.978 . . . . 0.0 111.453 -178.121 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.0 ptpt -144.83 167.7 21.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.802 -1.186 . . . . 0.0 109.733 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 21.0 mt -120.44 127.4 52.21 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' C ' ' N ' ' A' ' 30' ' ' SER . 62.4 tttp -92.29 149.24 21.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 178.811 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.3 pttm -45.02 -22.86 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' C ' ' A' ' 28' ' ' LYS . 47.7 t -80.05 -49.92 11.09 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.219 0.533 . . . . 0.0 109.701 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 60.4 tt0 -68.53 -34.34 75.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.99 -41.42 92.03 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.662 -0.649 . . . . 0.0 109.712 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 88.0 tttt -60.03 -39.97 87.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 -179.098 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.05 -39.99 91.93 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.5 tt -60.87 -48.91 79.63 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.241 -0.912 . . . . 0.0 109.118 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.29 -46.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.315 -0.865 . . . . 0.0 112.09 -178.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.559 ' N ' HD22 ' A' ' 37' ' ' ASN . 1.3 m-80 -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 112.608 -176.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.4 -38.78 9.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.172 -0.955 . . . . 0.0 112.494 -176.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 23.8 tt0 -67.41 -40.06 85.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.443 -1.411 . . . . 0.0 108.905 -178.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -99.79 63.67 1.22 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 110.002 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -135.86 -17.07 1.69 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.281 -0.887 . . . . 0.0 109.955 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.73 -41.24 97.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.068 -1.02 . . . . 0.0 109.966 -179.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 45' ' ' GLU . 5.2 tt -130.96 153.33 49.31 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.496 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 54.3 tp10 -59.42 113.91 2.42 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.057 -179.241 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 37' ' ' ASN . 31.6 mt-10 -56.45 166.38 0.9 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.708 0.766 . . . . 0.0 109.706 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.415 ' HB ' HD21 ' A' ' 37' ' ' ASN . 5.1 mm -95.56 140.03 17.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -108.65 -14.11 14.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.461 -0.774 . . . . 0.0 109.988 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -137.09 149.15 47.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.202 -0.936 . . . . 0.0 110.81 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.434 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 9.5 mm100 -69.73 -24.99 63.63 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.1 pt-20 -60.75 -39.98 90.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.744 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 95.0 t -60.13 -39.95 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.046 -1.034 . . . . 0.0 108.667 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.24 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.82 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -67.48 -35.21 78.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.341 -0.849 . . . . 0.0 109.934 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.52 -40.0 80.99 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -63.91 -35.2 72.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.99 -26.1 63.93 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.575 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.95 -40.06 87.71 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.6 m -82.78 -37.91 23.92 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.38 178.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.63 -18.11 30.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.081 -1.012 . . . . 0.0 110.786 -177.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.596 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 58.9 t0 -80.92 61.44 4.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.503 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 59.4 mt-10 -60.01 -39.96 87.58 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.717 -177.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -84.96 -2.85 58.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.0 -1.062 . . . . 0.0 108.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.75 34.53 87.64 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.375 178.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 44.9 p-10 -104.93 -0.71 26.71 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.102 -1.234 . . . . 0.0 110.102 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.596 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.46 4.46 87.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 29.6 mt-10 -137.94 133.53 33.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.629 -0.924 . . . . 0.0 108.537 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 p -95.4 122.2 37.87 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.034 -1.041 . . . . 0.0 108.724 179.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -77.96 170.56 16.39 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -178.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 3.3 t80 -44.66 -44.12 8.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -62.15 -49.98 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.522 -0.736 . . . . 0.0 110.326 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -61.55 -40.04 93.24 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.283 -0.886 . . . . 0.0 110.666 -178.418 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.44 ' CE1' HG22 ' A' ' 77' ' ' VAL . 65.0 t80 -68.7 -29.12 67.49 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.942 -1.099 . . . . 0.0 109.413 179.624 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -39.51 85.98 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.368 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.99 -33.27 71.83 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.48 ' HB2' HD11 ' A' ' 60' ' ' LEU . 88.2 t80 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.879 -1.138 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.44 HG22 ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -65.78 -34.46 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 0.0 110.03 -178.712 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 3.3 p -68.94 -39.38 79.6 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.189 -0.944 . . . . 0.0 109.419 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.55 -45.76 74.72 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 111.495 -178.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.28 -35.4 62.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.034 -1.042 . . . . 0.0 110.148 -178.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -60.09 -40.01 88.14 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -54.36 -37.81 65.37 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.0 87.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.492 -0.755 . . . . 0.0 109.41 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 t -60.21 -38.63 83.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 0.0 109.522 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.428 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 43.3 t-80 -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.222 -179.714 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.68 -41.14 97.15 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.676 179.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -77.51 -40.0 44.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.47 -0.769 . . . . 0.0 109.547 179.169 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.071 0.462 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 49.8 20.1 0.51 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.015 -1.053 . . . . 0.0 109.682 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -74.2 -5.81 44.12 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.622 -0.674 . . . . 0.0 109.895 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.4 tp -43.98 -24.51 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.652 -0.655 . . . . 0.0 110.343 -178.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.2 tt0 -67.15 -40.17 86.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.572 -1.33 . . . . 0.0 109.14 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.43 -39.97 74.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.587 -0.696 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.01 93.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 110.995 -178.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.5 mtt -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.951 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.22 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.293 -0.88 . . . . 0.0 111.457 -178.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.99 -40.04 87.82 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.42 -37.3 77.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.357 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.03 -46.9 87.98 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.006 -1.058 . . . . 0.0 111.116 -178.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -39.02 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.927 -1.108 . . . . 0.0 109.618 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 35.6 t80 -56.36 -39.96 73.74 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.421 -1.424 . . . . 0.0 108.587 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -69.69 -22.06 63.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.205 -0.935 . . . . 0.0 109.318 179.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.99 -43.53 95.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.127 -0.983 . . . . 0.0 110.397 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.466 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 64.4 m-85 -97.11 -36.34 10.51 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.767 -1.208 . . . . 0.0 112.293 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 54.8 m -59.97 -40.05 87.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.984 -1.072 . . . . 0.0 111.193 -177.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -4.28 67.43 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -70.24 -45.6 66.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.775 -1.426 . . . . 0.0 110.528 -179.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.48 161.13 17.71 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.517 -0.739 . . . . 0.0 110.312 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -45.87 -23.45 1.03 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.6 m-20 -72.17 58.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.962 -1.316 . . . . 0.0 108.319 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 22' ' ' GLY . 51.1 mtmt -66.6 -40.04 88.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.774 . . . . 0.0 110.799 -178.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.415 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 85.6 t60 -87.78 -7.33 57.44 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.009 -1.057 . . . . 0.0 111.434 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 14.2 ptpt -144.95 167.75 21.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.787 -1.196 . . . . 0.0 109.684 -179.311 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -120.52 127.27 52.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.6 tttp -92.25 149.42 21.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.3 pttm -45.06 -22.81 0.11 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.924 0.869 . . . . 0.0 108.906 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.6 t -79.86 -50.17 10.88 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.268 0.556 . . . . 0.0 109.759 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.466 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 60.7 tt0 -68.63 -34.03 75.04 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.657 -0.652 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.434 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 88.1 tttt -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.835 -179.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -61.27 -39.99 92.44 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.692 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.8 tt -60.79 -49.31 78.02 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.477 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.99 -46.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.32 -0.863 . . . . 0.0 112.166 -178.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.547 ' N ' HD22 ' B' ' 37' ' ' ASN . 1.3 m-80 -69.98 -40.03 75.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 112.693 -176.637 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.43 -38.52 10.0 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.165 -0.959 . . . . 0.0 112.473 -176.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 24.9 tt0 -67.53 -40.06 85.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.474 -1.391 . . . . 0.0 108.898 -178.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.8 63.62 1.22 Allowed 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -59.92 -40.07 87.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 -179.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -135.8 -17.09 1.7 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.233 -0.917 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.83 -40.94 97.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.062 -1.023 . . . . 0.0 110.069 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -131.19 153.19 49.7 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.19 114.16 2.49 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.656 -1.217 . . . . 0.0 108.976 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 31.0 mt-10 -56.75 166.32 0.99 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.726 0.774 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.409 ' HB ' HD21 ' B' ' 37' ' ' ASN . 4.9 mm -95.52 139.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -108.6 -14.36 14.64 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.544 -0.723 . . . . 0.0 109.989 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.8 148.99 47.5 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.986 . . . . 0.0 110.883 -179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.434 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 9.5 mm100 -69.38 -24.82 63.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.071 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.0 pt-20 -60.91 -39.98 91.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.438 -0.789 . . . . 0.0 110.692 -178.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 93.2 t -60.08 -39.98 81.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 108.583 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.16 -36.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -67.48 -35.08 78.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 109.917 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.69 -40.02 80.26 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.01 -35.14 72.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -69.97 -26.15 63.96 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 20.9 m -82.71 -38.24 23.62 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 178.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.37 -18.11 30.79 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.093 -1.004 . . . . 0.0 110.855 -177.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.61 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 58.7 t0 -80.91 61.28 4.46 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 178.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.5 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 57.9 mt-10 -60.04 -40.14 88.33 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.691 -177.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -84.7 -2.78 58.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.989 -1.07 . . . . 0.0 108.964 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 34.65 88.1 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.382 178.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 45.4 p-10 -105.05 -0.41 26.79 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.076 -1.25 . . . . 0.0 109.996 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.61 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.16 4.45 86.43 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 30.9 mt-10 -137.96 133.53 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.584 -0.95 . . . . 0.0 108.462 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.49 122.24 38.02 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.128 -0.982 . . . . 0.0 108.705 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -78.0 170.59 16.36 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -178.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 3.2 t80 -44.72 -43.86 8.77 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -62.21 -50.03 73.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.519 -0.738 . . . . 0.0 110.307 179.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 49.0 mt-10 -61.65 -40.03 93.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.23 -0.919 . . . . 0.0 110.641 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' B' ' 77' ' ' VAL . 69.0 t80 -68.78 -29.0 67.28 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.91 -1.119 . . . . 0.0 109.358 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.54 85.97 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.49 -179.175 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -70.01 -33.38 71.94 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.785 -1.197 . . . . 0.0 110.063 -179.562 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' B' ' 60' ' ' LEU . 89.0 t80 -60.06 -40.01 87.99 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.861 -1.149 . . . . 0.0 110.598 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.443 HG22 ' CE2' ' B' ' 73' ' ' PHE . 0.1 OUTLIER -65.7 -34.39 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.504 -0.748 . . . . 0.0 110.055 -178.719 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 3.2 p -69.02 -39.08 79.48 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.231 -0.918 . . . . 0.0 109.465 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.9 mtp -68.0 -45.66 73.44 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 111.487 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.97 -35.55 64.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.138 -0.976 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.4 m -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HZ2' ' Y' ' 111' ' ' LYS . 4.2 m -54.57 -37.6 65.67 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.42 178.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 t -59.99 -39.04 84.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.574 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -60.05 -40.54 89.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.102 -0.999 . . . . 0.0 109.08 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.36 -41.33 96.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.173 -0.954 . . . . 0.0 108.677 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -77.48 -39.99 44.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.625 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -59.4 -30.43 68.45 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.93 -34.3 73.04 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 47.7 mtmt -59.91 -39.32 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.376 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 41.4 tp -70.05 -25.54 63.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.713 178.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.434 ' O ' ' N ' ' X' ' 112' ' ' THR . 59.5 mtt -66.41 -24.47 66.47 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.809 -1.182 . . . . 0.0 110.061 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.72 -34.48 5.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 108.869 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -73.77 -39.55 64.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.145 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.434 ' N ' ' O ' ' X' ' 109' ' ' MET . 72.7 p -60.04 -32.21 70.7 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.526 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 . 179.746 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.32 -30.35 68.29 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.98 -34.29 73.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.402 -0.811 . . . . 0.0 108.955 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 48.8 mtmt -59.8 -39.33 84.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.92 -25.92 63.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.555 -0.715 . . . . 0.0 109.687 178.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.426 ' O ' ' N ' ' Y' ' 112' ' ' THR . 62.2 mtt -66.23 -24.42 66.6 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.839 -1.163 . . . . 0.0 110.089 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.61 -34.64 5.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.917 -1.114 . . . . 0.0 108.902 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.581 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -73.51 -40.01 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.165 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.426 ' N ' ' O ' ' Y' ' 109' ' ' MET . 71.6 p -59.98 -31.51 69.97 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.642 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 0.0 . 179.738 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 2' ' ' GLU . 52.8 tpp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 3' ' ' LEU . 67.6 m 52.5 8.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.3 pt-20 -75.7 22.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.272 -0.893 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 3' ' ' LEU . 2.3 tm? -60.04 -37.51 80.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.315 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -61.77 -38.98 90.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.431 -0.793 . . . . 0.0 109.868 179.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.96 -39.97 93.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.026 -1.046 . . . . 0.0 108.455 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.01 91.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.585 -0.697 . . . . 0.0 109.48 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.6 mtt -62.07 -40.05 94.47 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.875 0.845 . . . . 0.0 110.055 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.6 -37.81 80.33 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 O-C-N 121.819 -0.551 . . . . 0.0 110.02 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.35 80.47 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.441 -0.787 . . . . 0.0 111.467 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.01 -39.93 87.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.838 -1.164 . . . . 0.0 108.434 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.64 -40.0 81.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.626 -0.671 . . . . 0.0 110.963 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.83 -45.23 90.5 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.614 -1.304 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.02 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.094 -1.003 . . . . 0.0 110.659 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.678 ' CE1' HD23 ' A' ' 27' ' ' LEU . 87.0 t80 -60.02 -39.62 86.45 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.86 -1.15 . . . . 0.0 108.967 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.82 -27.12 68.02 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.098 -1.001 . . . . 0.0 110.016 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.0 -41.86 92.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 110.651 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -96.69 -33.56 11.69 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.76 -1.212 . . . . 0.0 112.492 -178.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -64.65 -39.95 94.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.903 -1.123 . . . . 0.0 111.057 -178.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 -9.58 86.88 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.559 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 79.7 tt0 -94.48 -3.03 50.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 109.081 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.71 -6.81 79.91 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -82.52 69.77 9.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.838 -1.389 . . . . 0.0 108.402 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -70.01 -42.21 73.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.883 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 19.7 p80 -79.03 -13.75 59.59 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.054 -1.029 . . . . 0.0 111.32 -178.288 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' NZ ' ' OD2' ' A' ' 65' ' ' ASP . 44.1 tttt -141.68 159.95 41.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.822 -1.174 . . . . 0.0 109.46 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD23 ' CE1' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -120.02 129.86 54.45 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.725 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.603 ' N ' HD13 ' A' ' 27' ' ' LEU . 35.4 ttpt -102.98 140.46 37.22 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.891 -1.13 . . . . 0.0 109.544 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -38.96 -23.38 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.413 0.625 . . . . 0.0 109.82 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.7 m -72.7 -54.57 8.62 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.425 -178.167 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 21' ' ' GLU . 61.7 mt-10 -67.31 -28.68 68.2 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.999 -1.063 . . . . 0.0 108.215 179.195 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.08 -48.42 81.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.439 -0.788 . . . . 0.0 109.55 179.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 64.5 tttm -61.32 -39.97 92.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.143 -0.973 . . . . 0.0 110.758 -179.093 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.35 -36.51 83.93 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 109.26 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.92 -50.0 65.96 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.031 -1.043 . . . . 0.0 108.829 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.56 -48.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.536 -0.727 . . . . 0.0 111.382 -177.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.03 -38.7 66.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.883 -1.136 . . . . 0.0 112.296 -177.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 2.0 m120 -98.35 -36.44 9.99 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.427 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.872 ' O ' HD23 ' A' ' 40' ' ' LEU . 24.3 tt0 -83.0 -13.27 56.26 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.24 -1.538 . . . . 0.0 109.95 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 39' ' ' GLU . 5.1 mt -143.13 45.21 1.55 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.951 . . . . 0.0 109.073 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -60.0 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.192 -0.943 . . . . 0.0 110.397 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -100.34 -12.51 19.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.152 -0.967 . . . . 0.0 110.373 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.92 -9.92 54.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.087 -1.008 . . . . 0.0 109.476 -179.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.587 HD11 HG11 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -153.28 170.17 21.26 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' H ' HD23 ' A' ' 44' ' ' LEU . 9.0 pt-20 -68.79 119.5 13.26 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.698 -1.201 . . . . 0.0 108.462 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.49 144.08 56.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -89.69 135.3 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.094 -1.004 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -108.61 -24.66 11.26 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.371 -0.831 . . . . 0.0 109.775 -178.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -124.09 149.79 45.77 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.835 0.826 . . . . 0.0 111.06 -178.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 14.0 mm100 -69.99 -21.7 63.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.181 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.42 -40.06 89.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 111.038 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.06 -40.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.887 -1.133 . . . . 0.0 108.518 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.64 -32.79 58.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.25 -34.24 72.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.819 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.04 -40.0 75.41 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.17 -34.33 69.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -60.58 -39.97 89.98 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.105 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -53.84 -38.89 65.12 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.167 -1.583 . . . . 0.0 107.471 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 m -80.01 -45.95 17.48 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.884 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 21.6 mt -90.06 -15.78 31.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.816 -1.177 . . . . 0.0 110.819 -178.246 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.4 t0 -81.42 62.03 5.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -38.71 83.22 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.76 -13.18 60.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.85 30.7 73.6 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.205 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' NZ ' ' A' ' 26' ' ' LYS . 34.6 p-10 -107.6 7.69 28.78 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.097 -1.237 . . . . 0.0 109.73 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 7.49 88.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.0 mt-10 -139.95 131.85 27.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.38 46.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.144 -0.973 . . . . 0.0 108.914 -179.612 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 54.8 t0 -61.89 157.94 17.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.101 -0.999 . . . . 0.0 109.063 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.3 t80 -46.82 -38.95 11.01 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.306 -0.872 . . . . 0.0 108.816 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.2 -37.04 77.91 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.408 -0.807 . . . . 0.0 110.029 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 42.9 mt-10 -61.71 -42.91 99.58 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.728 -1.232 . . . . 0.0 109.994 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -63.39 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.083 . . . . 0.0 109.006 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 89.3 mtp -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.666 -0.646 . . . . 0.0 110.519 -178.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.79 73.01 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.69 -1.256 . . . . 0.0 110.167 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.709 ' CE2' HG21 ' A' ' 80' ' ' VAL . 67.7 t80 -59.96 -32.31 70.69 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.236 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 77' ' ' VAL . 10.8 t -61.28 -40.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 t -66.07 -39.99 90.5 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.501 -0.749 . . . . 0.0 110.171 -178.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtp -68.56 -43.05 77.42 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.183 -0.948 . . . . 0.0 112.084 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.709 HG21 ' CE2' ' A' ' 76' ' ' PHE . 14.4 t -77.31 -30.6 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.769 -1.207 . . . . 0.0 109.985 -178.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.6 m -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.9 m -60.01 -39.72 86.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.85 86.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.02 -34.94 74.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.379 -0.825 . . . . 0.0 109.511 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.19 -39.2 81.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.974 . . . . 0.0 108.752 -179.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.93 -40.04 87.58 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.3 -23.27 23.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.156 -0.965 . . . . 0.0 110.374 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.014 -1.054 . . . . 0.0 109.077 -179.404 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.483 ' C ' ' H ' ' B' ' 2' ' ' GLU . 53.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.48 ' C ' ' H ' ' B' ' 3' ' ' LEU . 62.9 m 52.16 8.42 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.338 -0.851 . . . . 0.0 109.914 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 0' ' ' MET . 18.5 pt-20 -75.87 22.37 0.15 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 108.97 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.667 ' O ' HD13 ' B' ' 3' ' ' LEU . 2.3 tm? -59.95 -37.9 80.89 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -61.25 -39.53 90.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.462 -0.774 . . . . 0.0 109.88 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.54 -40.0 93.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.037 -1.04 . . . . 0.0 108.533 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.97 91.99 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.566 -0.709 . . . . 0.0 109.48 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.6 mtt -62.26 -39.94 94.54 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.56 -37.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.72 -0.613 . . . . 0.0 110.046 -179.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.49 81.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -0.835 . . . . 0.0 111.508 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.841 -1.162 . . . . 0.0 108.448 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.69 -39.94 80.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.691 -0.631 . . . . 0.0 110.997 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.79 -45.36 90.05 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.617 -1.302 . . . . 0.0 111.78 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -40.04 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.114 -0.992 . . . . 0.0 110.72 -178.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.672 ' CE1' HD23 ' B' ' 27' ' ' LEU . 87.5 t80 -59.94 -39.78 86.73 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 109.068 -179.171 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -65.57 -27.17 68.24 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.157 -0.964 . . . . 0.0 110.108 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -41.87 92.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.993 -1.067 . . . . 0.0 110.583 -178.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -96.71 -34.01 11.52 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.781 -1.199 . . . . 0.0 112.484 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -64.19 -40.05 95.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.837 -1.164 . . . . 0.0 111.038 -178.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -9.84 86.66 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.357 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -1.191 . . . . 0.0 109.521 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 79.5 tt0 -94.56 -3.12 50.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.473 -0.767 . . . . 0.0 109.005 -179.689 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.77 -6.74 79.74 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 26' ' ' LYS . 91.5 m-20 -82.46 69.7 9.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.888 -1.36 . . . . 0.0 108.466 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -69.95 -42.41 73.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.305 -0.872 . . . . 0.0 110.868 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' B' ' 25' ' ' HIS . 19.9 p80 -78.92 -13.84 59.57 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.111 -0.993 . . . . 0.0 111.304 -178.213 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' B' ' 23' ' ' ASP . 45.9 tttt -141.63 160.0 41.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.805 -1.184 . . . . 0.0 109.441 -179.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -120.07 129.8 54.38 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -178.694 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.6 ' N ' HD13 ' B' ' 27' ' ' LEU . 35.2 ttpt -103.0 140.55 37.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.939 -1.101 . . . . 0.0 109.498 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -39.01 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.499 0.666 . . . . 0.0 109.84 -179.897 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.8 m -72.98 -54.16 9.32 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.575 -178.25 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' B' ' 21' ' ' GLU . 61.3 mt-10 -67.67 -28.46 67.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.974 -1.079 . . . . 0.0 108.105 179.103 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.99 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.536 -0.727 . . . . 0.0 109.593 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.411 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 64.5 tttm -61.23 -39.99 92.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.224 -0.923 . . . . 0.0 110.762 -178.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.48 -36.35 83.45 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.115 -0.99 . . . . 0.0 109.239 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.97 -50.01 65.84 Favored 'General case' 0 C--N 1.289 -2.038 0 O-C-N 121.117 -0.989 . . . . 0.0 108.846 178.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.41 -49.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 111.348 -178.05 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.72 -38.89 67.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.968 -1.082 . . . . 0.0 112.343 -177.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' B' ' 38' ' ' ASN . 2.1 m120 -98.26 -36.85 9.89 Favored 'General case' 0 N--CA 1.506 2.333 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.886 ' O ' HD23 ' B' ' 40' ' ' LEU . 24.0 tt0 -82.45 -13.48 56.69 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.241 -1.537 . . . . 0.0 110.029 -177.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.886 HD23 ' O ' ' B' ' 39' ' ' GLU . 5.3 mt -143.05 45.1 1.57 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.156 -0.965 . . . . 0.0 109.046 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.7 t -60.06 -49.89 75.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.168 -0.958 . . . . 0.0 110.403 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -100.18 -12.3 19.71 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.164 -0.96 . . . . 0.0 110.472 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -87.16 -10.07 53.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.0 -1.062 . . . . 0.0 109.45 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.602 HD11 HG11 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -153.04 170.45 20.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.419 ' H ' HD23 ' B' ' 44' ' ' LEU . 9.1 pt-20 -68.95 119.57 13.47 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.779 -1.201 . . . . 0.0 108.434 179.358 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 144.29 56.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -89.91 135.31 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.13 -0.981 . . . . 0.0 108.914 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -108.52 -24.73 11.27 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.395 -0.815 . . . . 0.0 109.917 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.17 149.92 45.77 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.763 0.792 . . . . 0.0 110.94 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.9 mm100 -69.98 -21.77 63.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.132 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.41 -39.94 89.18 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.478 -0.764 . . . . 0.0 111.048 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.01 -40.04 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.904 -1.123 . . . . 0.0 108.5 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.8 -32.66 57.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 122.001 -0.437 . . . . 0.0 109.884 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.33 -34.22 72.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.367 -0.833 . . . . 0.0 109.688 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -69.97 -39.99 75.64 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.47 -33.95 67.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -60.78 -40.05 91.12 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.026 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -53.73 -38.87 64.77 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.178 -1.576 . . . . 0.0 107.503 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -79.98 -46.12 17.23 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.863 -179.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 22.0 mt -89.88 -15.63 31.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.835 -1.166 . . . . 0.0 110.916 -178.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.6 t0 -81.51 61.57 5.0 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.71 -38.51 81.8 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -73.75 -13.44 60.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.33 30.1 73.22 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 26' ' ' LYS . 34.8 p-10 -107.47 7.92 29.17 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.13 -1.218 . . . . 0.0 109.883 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.96 7.39 88.55 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.446 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.0 mt-10 -139.92 131.91 27.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.24 46.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.204 -0.935 . . . . 0.0 108.904 -179.528 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 55.2 t0 -61.81 158.1 16.62 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.995 -1.066 . . . . 0.0 109.085 -179.261 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.3 t80 -46.89 -38.9 11.16 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 108.938 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 110.015 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 42.9 mt-10 -61.56 -42.8 99.37 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.718 -1.239 . . . . 0.0 110.011 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.54 -38.35 90.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.999 -1.063 . . . . 0.0 108.936 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 89.2 mtp -59.96 -38.85 83.69 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.568 -0.708 . . . . 0.0 110.505 -178.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.87 73.1 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.741 -1.224 . . . . 0.0 110.13 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.7 ' CE2' HG21 ' B' ' 80' ' ' VAL . 70.1 t80 -59.94 -32.37 70.72 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.264 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.36 -40.08 84.96 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.409 0.624 . . . . 0.0 110.066 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.0 t -65.96 -40.0 90.91 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.492 -0.755 . . . . 0.0 110.193 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtp -68.72 -43.17 76.54 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 112.064 -177.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.7 HG21 ' CE2' ' B' ' 76' ' ' PHE . 14.4 t -77.46 -30.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -178.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -60.31 -40.04 89.16 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.5 m -59.98 -39.54 86.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.99 87.21 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 88' ' ' PHE . 18.0 m -59.99 -34.93 73.98 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.804 . . . . 0.0 109.5 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.078 -1.014 . . . . 0.0 108.834 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.342 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -88.25 -23.33 23.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.192 -0.943 . . . . 0.0 110.387 -179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 84' ' ' CYS . 5.3 m-85 . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.086 -1.009 . . . . 0.0 109.02 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.457 ' O ' ' SD ' ' X' ' 109' ' ' MET . 75.7 t60 -59.98 -39.94 87.41 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.556 -0.715 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.03 -31.04 69.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.259 -0.901 . . . . 0.0 108.793 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.494 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 48.9 tttm -59.67 -37.62 79.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.711 -1.243 . . . . 0.0 107.683 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.98 -27.41 66.56 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.716 -0.615 . . . . 0.0 110.056 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -62.49 -24.72 67.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.649 -1.282 . . . . 0.0 109.998 179.706 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.645 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.7 -36.94 26.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.696 -1.253 . . . . 0.0 109.471 -179.198 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.645 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -72.32 -39.04 68.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.166 -0.959 . . . . 0.0 109.505 179.227 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -58.92 -27.47 65.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.007 -1.058 . . . . 0.0 108.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.586 -0.696 . . . . 0.0 . 179.466 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.467 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 77.1 t60 -59.97 -40.02 87.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 109.359 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.77 -31.3 69.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 108.742 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 53.0 tttm -59.44 -37.96 79.45 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.209 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.8 -27.41 66.72 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.721 -0.612 . . . . 0.0 110.0 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.57 -24.76 67.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.67 -1.269 . . . . 0.0 109.976 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.71 -36.88 26.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.492 -179.202 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -72.54 -38.15 68.07 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 179.284 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 77.1 p -59.99 -27.38 66.8 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.474 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.546 -0.721 . . . . 0.0 . 179.397 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 60.58 18.07 8.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.45 -0.781 . . . . 0.0 109.195 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.27 14.03 0.49 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 1' ' ' SER . 53.9 tp -59.93 -37.28 79.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.586 -0.696 . . . . 0.0 110.906 -178.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.09 86.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.3 mppt? -69.95 -37.45 75.83 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.55 85.16 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.723 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.1 mtt -62.91 -39.89 95.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.02 -39.9 86.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.66 93.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.948 -0.47 . . . . 0.0 111.319 -178.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.32 -40.03 85.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.661 -1.274 . . . . 0.0 108.127 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.89 -38.78 79.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.739 -0.6 . . . . 0.0 110.694 -179.474 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.1 -45.6 92.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.856 -1.152 . . . . 0.0 111.293 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -39.71 77.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 121.77 0.795 . . . . 0.0 110.256 -177.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.62 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 58.5 t80 -59.54 -39.9 85.45 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.54 -25.15 67.32 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.278 -0.889 . . . . 0.0 110.417 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -62.22 -42.96 99.78 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.607 -1.308 . . . . 0.0 109.73 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -89.68 -41.7 11.78 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.809 -1.182 . . . . 0.0 112.166 -179.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -62.52 -41.77 99.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.986 -1.071 . . . . 0.0 111.065 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -7.18 88.75 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' NH1' ' CD ' ' A' ' 34' ' ' GLU . 43.2 ttm180 -60.13 -47.05 87.55 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.199 -1.177 . . . . 0.0 109.449 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.02 174.8 5.9 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.586 0.708 . . . . 0.0 110.059 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -49.33 -26.93 7.26 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.633 -0.667 . . . . 0.0 111.867 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.4 m-20 -68.01 48.33 0.05 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.551 -1.558 . . . . 0.0 109.492 -179.285 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' GLY . 9.9 ttmm -63.81 -40.91 97.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.11 -0.993 . . . . 0.0 111.101 -179.269 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -91.35 2.91 56.05 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.989 -1.069 . . . . 0.0 111.089 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 37.4 pttt -148.62 160.21 43.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.85 -1.156 . . . . 0.0 109.78 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -109.29 122.74 48.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.2 tttp -102.23 144.16 31.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.61 -1.306 . . . . 0.0 110.153 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HZ2' ' HB ' ' A' ' 53' ' ' VAL . 53.3 tttp -39.29 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.451 0.644 . . . . 0.0 109.38 178.571 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.5 m -77.94 -49.96 13.12 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HB2' HD13 ' A' ' 27' ' ' LEU . 58.0 mt-10 -64.03 -34.69 78.59 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.86 -44.69 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.709 -0.619 . . . . 0.0 109.514 -179.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -66.05 -39.56 90.23 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.245 -0.909 . . . . 0.0 111.518 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.501 ' CD ' ' NH1' ' A' ' 20' ' ' ARG . 20.9 tt0 -69.04 -31.77 70.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.817 -1.177 . . . . 0.0 109.398 -177.17 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.722 HD23 ' C ' ' A' ' 35' ' ' LEU . 6.1 tt -68.51 -51.6 41.3 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.14 -0.975 . . . . 0.0 108.388 178.083 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.84 -46.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 O-C-N 121.511 -0.743 . . . . 0.0 111.198 -178.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.1 -40.15 75.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.952 -1.093 . . . . 0.0 112.121 -178.078 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -36.88 9.88 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.761 ' O ' HD23 ' A' ' 40' ' ' LEU . 22.2 tt0 -81.32 -12.13 59.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.335 -1.478 . . . . 0.0 109.653 -178.028 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.5 mt -139.0 56.01 1.7 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.337 -0.852 . . . . 0.0 108.788 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 m -60.13 -40.14 88.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -0.818 . . . . 0.0 110.58 -179.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -125.22 -20.71 4.78 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.419 -0.8 . . . . 0.0 110.745 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -66.77 -38.44 86.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.786 -1.196 . . . . 0.0 109.508 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.9 tp -126.32 158.17 36.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -53.07 109.22 0.4 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.034 -1.041 . . . . 0.0 109.03 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.85 140.77 56.37 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -102.21 131.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.267 -0.896 . . . . 0.0 109.482 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -109.42 -20.76 12.79 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.425 -0.797 . . . . 0.0 110.556 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 57.4 mp0 -110.83 143.27 41.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.052 -1.03 . . . . 0.0 110.612 -178.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.417 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 5.8 mm100 -69.88 -20.05 63.4 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.583 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.85 -38.93 92.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -0.893 . . . . 0.0 111.064 -178.083 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.87 -38.52 82.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 109.055 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' HB ' ' HZ2' ' A' ' 29' ' ' LYS . 47.0 t -69.41 -34.6 63.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.704 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . 46.2 t0 -66.59 -38.26 86.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.274 -0.891 . . . . 0.0 109.459 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 79.9 tttt -67.6 -39.94 84.76 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.65 -33.84 65.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.8 mmm -68.93 -31.5 70.43 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.82 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -55.37 -36.67 66.6 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 119.87 -1.769 . . . . 0.0 106.697 178.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.2 m -79.76 -46.5 16.9 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.4 mt -87.28 -14.83 39.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.832 -1.167 . . . . 0.0 110.695 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.5 t0 -80.79 58.36 3.31 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.514 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 74.6 mt-10 -58.05 -39.53 78.69 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.097 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.38 -16.56 62.98 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 28.6 73.07 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 47.1 p-10 -107.87 10.14 28.65 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.305 -1.115 . . . . 0.0 110.185 -179.691 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.528 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 75.22 6.55 80.2 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 84.9 mt-10 -134.32 133.05 40.27 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.58 124.9 48.98 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 42.0 t0 -62.91 161.66 12.5 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.429 -179.484 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.7 p90 -54.32 -31.32 53.96 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -62.3 -45.52 92.87 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.756 0.788 . . . . 0.0 109.037 177.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 36.9 mt-10 -64.73 -40.12 94.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.326 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.02 -28.71 67.65 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.003 -1.06 . . . . 0.0 109.153 179.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -38.56 82.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.36 -0.837 . . . . 0.0 109.482 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -68.94 -33.61 74.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.964 -1.085 . . . . 0.0 110.433 -178.516 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' HG21 ' A' ' 80' ' ' VAL . 90.6 t80 -59.9 -40.05 87.47 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.02 -1.05 . . . . 0.0 109.709 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -60.54 -37.81 76.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.754 -0.591 . . . . 0.0 110.43 -179.067 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 22.7 p -64.11 -40.05 95.38 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.232 -178.541 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mtm -71.45 -44.09 65.46 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.364 -178.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 76' ' ' PHE . 46.2 t -62.62 -36.85 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.65 -1.281 . . . . 0.0 110.37 -178.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.4 m -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -52.2 -40.75 61.98 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.288 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.0 84.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -0.936 . . . . 0.0 108.925 178.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 m -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.78 . . . . 0.0 109.4 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -59.82 -40.12 87.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.133 -0.979 . . . . 0.0 109.21 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.08 -39.9 87.69 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.2 -37.98 27.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.584 -0.698 . . . . 0.0 109.765 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.301 -1.519 0 O-C-N 121.535 -0.728 . . . . 0.0 109.253 -179.118 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.474 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 59.98 18.62 7.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.17 -0.956 . . . . 0.0 109.215 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -74.88 14.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' B' ' 1' ' ' SER . 51.8 tp -59.92 -37.61 79.97 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.58 -0.7 . . . . 0.0 110.78 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -39.72 86.78 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.942 -1.099 . . . . 0.0 110.561 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.496 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.4 mppt? -69.85 -36.9 75.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.139 -0.976 . . . . 0.0 109.857 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.08 81.61 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.215 -0.928 . . . . 0.0 110.741 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.3 mtt -63.07 -39.99 96.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.831 -1.168 . . . . 0.0 108.767 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.51 -39.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.89 92.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.761 -0.587 . . . . 0.0 111.373 -178.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.79 -39.92 86.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.65 -1.281 . . . . 0.0 108.116 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.81 -39.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.793 -0.567 . . . . 0.0 110.453 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.7 -46.54 90.01 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.921 -1.112 . . . . 0.0 111.47 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -39.2 77.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 CA-C-O 121.796 0.807 . . . . 0.0 110.534 -177.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.609 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 56.7 t80 -59.86 -39.9 86.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.306 -0.871 . . . . 0.0 108.993 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.59 -25.19 67.29 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.41 -42.52 99.5 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.597 -1.314 . . . . 0.0 109.797 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -89.83 -42.3 11.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.706 -1.246 . . . . 0.0 112.09 -179.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -61.67 -42.59 99.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.014 -1.054 . . . . 0.0 111.071 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.87 -6.73 88.98 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.504 ' NH1' ' CD ' ' B' ' 34' ' ' GLU . 43.1 ttm180 -60.02 -47.22 86.74 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.222 -1.164 . . . . 0.0 109.407 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.95 174.69 5.96 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 121.624 0.726 . . . . 0.0 110.082 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.24 -26.89 6.96 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.613 -0.679 . . . . 0.0 111.776 -178.632 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' B' ' 26' ' ' LYS . 95.9 m-20 -67.75 46.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.61 -1.524 . . . . 0.0 109.469 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 22' ' ' GLY . 13.2 ttmm -62.93 -41.03 99.34 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.083 -1.01 . . . . 0.0 111.083 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -90.64 1.89 56.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.235 -178.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.4 pttt -147.82 160.3 42.91 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.877 -1.139 . . . . 0.0 109.987 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.609 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -109.31 122.81 48.16 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' B' ' 30' ' ' SER . 59.1 tttp -102.69 144.1 31.5 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.547 -1.346 . . . . 0.0 110.116 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' B' ' 50' ' ' GLN . 53.2 tttp -39.1 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.424 0.63 . . . . 0.0 109.359 178.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.552 ' N ' ' O ' ' B' ' 28' ' ' LYS . 57.8 m -77.81 -49.11 14.98 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 28' ' ' LYS . 56.4 mt-10 -64.31 -35.36 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.96 -44.59 94.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.735 -0.603 . . . . 0.0 109.412 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -65.87 -39.88 91.12 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.202 -0.936 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.504 ' CD ' ' NH1' ' B' ' 20' ' ' ARG . 17.5 tt0 -68.71 -31.84 71.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.887 -1.133 . . . . 0.0 109.413 -177.128 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.691 HD23 ' C ' ' B' ' 35' ' ' LEU . 6.9 tt -68.42 -51.72 40.72 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.232 -0.918 . . . . 0.0 108.603 178.3 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -68.07 -45.98 82.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 111.023 -177.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -69.99 -40.14 75.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.955 -1.091 . . . . 0.0 112.1 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.65 -36.39 9.88 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.017 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.683 ' O ' HD23 ' B' ' 40' ' ' LEU . 23.9 tt0 -81.27 -12.48 59.08 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.217 -1.552 . . . . 0.0 109.535 -178.196 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.683 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.3 mt -138.57 56.13 1.72 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.6 m -60.16 -40.0 88.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 110.641 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -125.6 -20.05 4.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.437 -0.79 . . . . 0.0 110.755 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.1 -38.47 85.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.81 -1.181 . . . . 0.0 109.442 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 49.1 tp -126.35 158.14 36.64 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -53.08 109.34 0.41 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.128 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.92 140.74 56.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.6 mt -102.13 131.01 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.296 -0.877 . . . . 0.0 109.583 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -108.71 -20.87 12.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.457 -0.777 . . . . 0.0 110.548 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.3 mp0 -111.24 143.27 42.27 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.124 -0.985 . . . . 0.0 110.781 -178.664 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.451 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . 5.1 mm100 -69.9 -20.09 63.38 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.12 -38.45 90.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 0.0 111.052 -178.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.2 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 109.009 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' HZ2' ' B' ' 29' ' ' LYS . 45.5 t -69.07 -35.27 67.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.432 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' HZ3' ' B' ' 29' ' ' LYS . 46.4 t0 -66.21 -38.34 87.72 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.655 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 82.1 tttt -67.57 -40.01 84.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -179.841 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.53 -33.31 62.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.554 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.9 mmm -69.46 -31.07 69.13 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.93 -179.595 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -55.88 -36.3 67.46 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 119.985 -1.697 . . . . 0.0 106.518 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -79.83 -46.35 17.05 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.3 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.3 mt -87.73 -14.99 38.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.849 -1.157 . . . . 0.0 110.793 -178.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.45 58.43 3.16 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.51 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 73.8 mt-10 -58.17 -39.24 78.38 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.57 -15.7 62.79 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 28.51 73.28 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.4 p-10 -108.1 10.2 28.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.207 -1.172 . . . . 0.0 110.022 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.496 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.68 6.66 78.05 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.638 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 86.2 mt-10 -134.09 132.99 40.6 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.36 124.35 47.78 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.058 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.5 t0 -61.95 162.05 9.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.121 -0.987 . . . . 0.0 108.459 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 p90 -55.33 -30.46 60.28 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -62.76 -45.74 91.27 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.731 0.777 . . . . 0.0 108.921 177.346 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.51 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 36.4 mt-10 -64.46 -40.12 95.1 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.18 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -67.43 -29.17 68.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.878 -1.139 . . . . 0.0 109.355 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -38.82 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.567 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.407 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.42 -33.39 74.13 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.25 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' B' ' 80' ' ' VAL . 90.4 t80 -60.04 -40.0 87.87 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.0 -1.063 . . . . 0.0 109.732 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -37.32 75.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.799 -0.563 . . . . 0.0 110.406 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 19.2 p -64.86 -40.23 94.81 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.066 -1.021 . . . . 0.0 110.008 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.72 -45.04 65.62 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.079 -1.048 . . . . 0.0 111.292 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' B' ' 76' ' ' PHE . 42.3 t -61.88 -36.96 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.455 -1.403 . . . . 0.0 110.476 -178.741 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -39.92 87.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 108.209 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -40.6 62.68 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.32 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.39 84.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 108.828 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.97 -39.05 84.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 0.0 109.473 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.82 -40.19 87.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.073 -1.017 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.61 86.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -81.42 -38.38 26.6 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.578 0.704 . . . . 0.0 109.785 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.301 -1.53 0 O-C-N 121.62 -0.675 . . . . 0.0 109.255 -179.005 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.334 0.588 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.552 ' NE2' ' NZ ' ' A' ' 55' ' ' LYS . 19.3 p-80 -58.02 -39.66 78.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.914 -1.117 . . . . 0.0 109.187 -179.681 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 15.7 ttmt -58.64 -32.33 68.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.29 -0.881 . . . . 0.0 109.96 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -59.84 -48.32 82.16 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.153 -0.967 . . . . 0.0 109.361 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.429 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 12.9 tp -70.0 -26.24 63.98 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.927 -1.108 . . . . 0.0 110.454 -179.659 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -58.38 -24.28 59.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.593 -1.317 . . . . 0.0 109.841 -179.725 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' X' ' 109' ' ' MET . 0.3 OUTLIER -40.25 -35.53 0.42 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.326 -0.859 . . . . 0.0 109.519 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.441 ' CG ' ' CZ ' ' X' ' 110' ' ' PHE . 8.6 mtmm -80.35 -37.34 32.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.239 -0.913 . . . . 0.0 109.427 177.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.516 ' N ' ' O ' ' X' ' 109' ' ' MET . 67.8 p -59.72 -30.86 69.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.808 -0.557 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.235 0.54 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.655 ' NE2' ' NZ ' ' B' ' 55' ' ' LYS . 20.4 p-80 -58.16 -39.57 79.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.951 -1.093 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 15.8 ttmt -58.53 -32.25 68.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.0 109.893 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -59.59 -48.71 80.59 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.342 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.452 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 12.3 tp -70.02 -25.65 63.68 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.993 -1.067 . . . . 0.0 110.396 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -24.31 62.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.475 -1.39 . . . . 0.0 109.857 -179.778 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' Y' ' 109' ' ' MET . 0.4 OUTLIER -39.91 -35.48 0.36 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.338 -0.851 . . . . 0.0 109.56 -179.386 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.454 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 9.0 mtmm -80.44 -37.43 32.01 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.266 -0.896 . . . . 0.0 109.532 177.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.512 ' N ' ' O ' ' Y' ' 109' ' ' MET . 72.1 p -60.11 -30.24 69.13 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.703 -0.623 . . . . 0.0 . 178.585 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.407 ' C ' ' N ' ' A' ' 2' ' ' GLU . 27.6 ttt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 50.8 14.67 0.19 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 109.647 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 0' ' ' MET . 97.8 mt-10 -75.93 17.41 0.33 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.141 -0.974 . . . . 0.0 108.879 178.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -65.41 -29.42 70.12 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.683 -179.049 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -72.68 -36.41 67.88 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.028 -1.045 . . . . 0.0 110.063 -179.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -34.01 67.29 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.202 -0.936 . . . . 0.0 108.648 -179.122 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.26 71.66 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.9 -0.5 . . . . 0.0 111.275 -178.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.7 mtt -62.93 -39.91 96.02 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.898 -1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.17 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-O 121.381 0.61 . . . . 0.0 109.719 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.66 87.22 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.67 -0.644 . . . . 0.0 111.648 -178.496 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.95 -40.1 87.83 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.569 -1.332 . . . . 0.0 108.193 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.8 -37.65 78.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 O-C-N 121.848 -0.532 . . . . 0.0 110.354 179.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.05 -47.86 84.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.986 -1.071 . . . . 0.0 111.628 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -40.11 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.909 -1.119 . . . . 0.0 110.5 -178.245 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.442 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 71.5 t80 -58.36 -36.57 73.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 108.91 -179.49 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -69.79 -27.19 64.7 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.455 -0.778 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -60.31 -42.2 95.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.636 -1.29 . . . . 0.0 110.281 -179.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.98 -37.88 11.97 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.696 -1.253 . . . . 0.0 112.104 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.442 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 57.9 m -60.03 -40.0 87.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.981 -1.075 . . . . 0.0 110.303 -178.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.22 -8.09 88.04 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.04 -47.11 87.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.964 -1.315 . . . . 0.0 109.06 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 97.9 mt-10 -114.97 159.84 20.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.39 -15.09 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.5 57.92 0.74 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.726 -1.455 . . . . 0.0 109.807 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -68.55 -46.09 70.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.954 -1.091 . . . . 0.0 109.498 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.23 -19.98 49.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.565 -0.709 . . . . 0.0 111.432 -178.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.5 pttp -134.6 159.23 41.85 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.971 -1.081 . . . . 0.0 109.274 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.7 tp -120.06 130.83 54.87 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.358 -0.839 . . . . 0.0 108.756 -178.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 48.3 mtmt -94.08 153.49 18.11 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.697 -1.252 . . . . 0.0 110.032 -179.53 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -49.95 -22.9 1.71 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 47.3 t -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 41.0 mt-10 -60.21 -37.92 81.78 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.99 -41.7 92.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.913 -0.492 . . . . 0.0 109.756 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.87 -39.91 90.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.048 -1.033 . . . . 0.0 110.49 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.3 mp0 -65.53 -37.02 85.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.071 -1.018 . . . . 0.0 109.039 -179.042 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.53 -50.9 65.51 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.005 -1.059 . . . . 0.0 109.686 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' A' ' 47' ' ' ILE . 95.3 mt -69.97 -43.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.511 -0.743 . . . . 0.0 111.998 -177.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.78 -39.96 76.33 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.35 -35.95 9.42 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.578 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.5 tp10 -83.12 -10.81 58.47 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.092 -1.63 . . . . 0.0 110.224 -177.468 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 39' ' ' GLU . 8.4 mt -137.19 43.23 2.36 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.249 -0.907 . . . . 0.0 108.637 179.177 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -60.0 -40.94 90.94 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 111.749 -178.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -120.12 -22.17 6.75 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.124 -0.985 . . . . 0.0 110.455 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -68.24 -37.84 81.21 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 tp -131.89 160.16 36.53 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 7.2 pt-20 -52.63 110.63 0.53 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.995 -1.066 . . . . 0.0 108.956 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.75 135.15 57.49 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.413 -0.804 . . . . 0.0 108.907 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' A' ' 36' ' ' ILE . 69.1 mt -80.52 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.706 -1.247 . . . . 0.0 107.658 178.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.88 -23.5 10.96 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.057 -177.018 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -123.66 141.87 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.955 0.883 . . . . 0.0 111.242 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.48 -29.19 68.91 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -39.96 88.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.376 -0.828 . . . . 0.0 110.735 -178.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.75 -39.84 83.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 120.641 -1.287 . . . . 0.0 108.33 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.01 -38.18 80.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 47.1 t0 -65.05 -36.97 86.04 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.467 0.651 . . . . 0.0 109.862 -179.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -67.57 -40.0 84.89 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -66.66 -34.19 68.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.618 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.9 mmm -70.57 -24.13 62.72 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -39.99 87.43 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 178.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.8 m -82.57 -36.86 25.84 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.417 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 76' ' ' PHE . 1.6 mp -87.76 -18.8 28.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 110.694 -178.09 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -80.17 60.32 3.63 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.631 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 76.1 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.154 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.22 -12.69 60.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.79 29.16 72.65 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.5 p-10 -106.96 1.36 24.43 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.184 -1.186 . . . . 0.0 110.21 -179.431 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.611 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.0 5.55 89.52 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.256 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 68.7 mt-10 -134.67 136.92 43.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.39 129.23 50.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.923 -1.111 . . . . 0.0 108.522 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.3 t70 -73.7 170.1 15.95 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.643 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 11.1 t80 -50.98 -39.99 56.74 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -60.77 -49.94 75.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 0.0 110.094 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 41.7 mt-10 -61.45 -40.09 93.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.041 . . . . 0.0 110.43 -178.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.22 -35.41 80.98 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.527 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.7 tpp -59.81 -38.69 82.67 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.296 -178.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.47 68.05 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.484 -1.385 . . . . 0.0 110.809 -178.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 60' ' ' LEU . 39.6 t80 -67.51 -26.03 66.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.996 -1.065 . . . . 0.0 110.574 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -31.89 17.95 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.293 -0.88 . . . . 0.0 108.664 -179.413 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.572 ' HG ' ' CB ' ' B' ' 78' ' ' SER . 0.9 OUTLIER -68.88 -44.84 72.42 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.806 -0.559 . . . . 0.0 110.473 -178.847 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -42.19 73.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.533 -1.355 . . . . 0.0 111.344 -178.711 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.07 -35.11 74.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.861 -1.149 . . . . 0.0 109.283 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.89 -40.01 87.32 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.997 0.904 . . . . 0.0 108.669 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.11 -39.09 68.98 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.03 78.64 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.7 t -59.11 -35.81 74.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.586 -0.696 . . . . 0.0 109.449 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.83 -40.01 87.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.931 -1.106 . . . . 0.0 108.98 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.68 -39.91 95.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.679 179.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -84.03 -39.1 20.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.485 -0.759 . . . . 0.0 109.103 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' CYS . 3.0 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.422 ' C ' ' N ' ' B' ' 2' ' ' GLU . 28.3 ttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 50.99 14.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -0.934 . . . . 0.0 109.701 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' B' ' 0' ' ' MET . 98.2 mt-10 -75.46 17.24 0.29 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.937 . . . . 0.0 108.859 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -64.86 -29.84 70.82 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 -179.195 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.25 -36.42 69.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.016 -1.052 . . . . 0.0 110.116 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -33.86 67.18 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.25 -0.907 . . . . 0.0 108.736 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.12 -43.24 71.41 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.885 -0.509 . . . . 0.0 111.235 -178.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.005 -1.059 . . . . 0.0 109.541 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.26 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.36 0.6 . . . . 0.0 109.58 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.71 87.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.683 . . . . 0.0 111.646 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.89 -40.03 87.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.49 -1.381 . . . . 0.0 108.235 -179.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.69 -37.88 79.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.84 -0.538 . . . . 0.0 110.411 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.04 -47.78 84.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.01 -1.056 . . . . 0.0 111.624 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.97 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.931 -1.106 . . . . 0.0 110.592 -178.29 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 71.1 t80 -58.45 -36.49 73.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.048 -1.033 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.9 -27.31 64.69 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.45 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -60.08 -42.42 94.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.643 -1.286 . . . . 0.0 110.244 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.71 -37.8 12.17 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 120.749 -1.22 . . . . 0.0 112.182 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.457 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 57.1 m -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 110.25 -178.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -8.01 88.08 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.95 -47.36 86.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.962 -1.316 . . . . 0.0 109.019 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -114.88 160.09 19.9 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.563 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.27 -15.27 0.04 OUTLIER Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.3 m-20 -74.7 58.06 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.635 -1.509 . . . . 0.0 109.825 -179.233 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -68.75 -46.22 69.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.885 -1.134 . . . . 0.0 109.484 179.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -78.97 -19.98 50.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 111.412 -178.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.4 pttp -134.52 159.19 41.91 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.89 -1.131 . . . . 0.0 109.229 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -120.06 130.69 54.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 49.4 mtmt -93.67 153.34 18.42 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.645 -1.284 . . . . 0.0 110.203 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -49.95 -22.54 1.58 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 47.6 t -74.79 -54.05 8.04 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 41.1 mt-10 -60.13 -37.84 81.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.766 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.96 -40.05 91.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.192 -0.942 . . . . 0.0 110.404 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.3 mp0 -65.22 -36.85 85.43 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.12 -0.988 . . . . 0.0 109.151 -179.14 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.8 -50.66 65.87 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.893 -1.129 . . . . 0.0 109.836 179.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.07 -43.37 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.556 -0.715 . . . . 0.0 111.863 -177.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.466 -178.064 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.47 -35.57 9.51 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.606 ' O ' HD23 ' B' ' 40' ' ' LEU . 10.8 tp10 -83.22 -10.62 58.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.178 -1.576 . . . . 0.0 110.175 -177.527 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.606 HD23 ' O ' ' B' ' 39' ' ' GLU . 8.3 mt -137.72 43.42 2.26 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.197 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -60.11 -41.01 91.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 111.616 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -119.96 -22.3 6.79 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.091 -1.006 . . . . 0.0 110.48 -179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -67.83 -38.16 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.076 -1.015 . . . . 0.0 109.49 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -131.71 160.17 36.27 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 7.1 pt-20 -52.54 110.29 0.49 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.994 -1.067 . . . . 0.0 108.864 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -61.61 135.08 57.51 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 108.962 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.5 139.64 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.652 -1.28 . . . . 0.0 107.805 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.438 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.61 -23.51 11.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.569 -0.707 . . . . 0.0 111.111 -176.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.74 141.64 51.84 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.995 0.902 . . . . 0.0 111.162 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.39 -29.24 68.83 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -39.84 87.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.287 -0.883 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -60.66 -40.04 83.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.719 -1.238 . . . . 0.0 108.361 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.09 -38.03 79.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 46.7 t0 -65.14 -36.57 84.68 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.545 0.688 . . . . 0.0 109.924 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.8 -40.02 83.95 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.74 -34.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.626 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.8 mmm -70.79 -24.17 62.53 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -40.03 87.46 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.0 m -82.56 -36.93 25.83 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.307 178.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' B' ' 76' ' ' PHE . 1.6 mp -87.79 -18.45 29.34 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.262 -0.899 . . . . 0.0 110.761 -178.079 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.626 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -80.41 60.35 3.79 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 77.3 mt-10 -60.0 -39.9 87.35 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.58 -12.4 60.75 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.425 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.56 29.28 72.88 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.5 p-10 -107.09 1.39 24.18 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.22 -1.165 . . . . 0.0 110.232 -179.463 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.604 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.05 5.32 89.64 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -179.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.0 mt-10 -134.49 136.94 43.51 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.53 128.87 50.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.877 -1.139 . . . . 0.0 108.466 179.713 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.4 t70 -73.42 169.77 16.48 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.386 -0.821 . . . . 0.0 109.742 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.8 t80 -50.6 -40.08 51.68 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -60.71 -49.93 75.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 0.0 110.122 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 40.3 mt-10 -61.38 -39.98 92.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.046 -1.034 . . . . 0.0 110.529 -178.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -65.59 -35.21 80.16 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 109.377 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.527 ' O ' ' SD ' ' B' ' 74' ' ' MET . 4.6 tpp -60.02 -38.51 82.9 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.264 -178.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.31 67.7 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.518 -1.364 . . . . 0.0 110.818 -178.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.551 ' HB2' HD21 ' B' ' 60' ' ' LEU . 40.1 t80 -67.41 -26.02 66.23 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.926 -1.108 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -77.71 -31.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 O-C-N 121.174 -0.954 . . . . 0.0 108.735 -179.24 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.572 ' CB ' ' HG ' ' A' ' 78' ' ' SER . 0.9 OUTLIER -68.75 -44.89 72.81 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.785 -0.572 . . . . 0.0 110.547 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -42.66 73.05 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.783 -1.198 . . . . 0.0 111.204 -178.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.83 -35.06 74.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.823 -1.173 . . . . 0.0 109.221 -179.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -40.02 87.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.044 0.926 . . . . 0.0 108.827 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.37 -38.93 69.48 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.85 78.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.049 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.3 -35.52 73.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.579 -0.7 . . . . 0.0 109.338 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.99 -40.1 87.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.795 -1.19 . . . . 0.0 108.996 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.56 -40.04 95.57 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.181 -0.95 . . . . 0.0 109.401 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -84.01 -39.49 19.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.133 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.715 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.419 ' O ' ' OE2' ' A' ' 45' ' ' GLU . 57.2 mtt-85 . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 6.0 p80 -58.53 -37.18 75.1 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.885 -1.134 . . . . 0.0 108.369 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.62 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 81.5 tttt -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.094 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 44.4 tp -65.36 -32.61 74.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.684 -0.635 . . . . 0.0 110.203 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -60.05 -24.58 64.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.049 -1.032 . . . . 0.0 110.849 -178.561 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.595 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.3 OUTLIER -49.65 -35.66 22.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.541 -1.349 . . . . 0.0 109.176 -178.826 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.595 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -78.59 -35.73 45.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.032 -1.042 . . . . 0.0 109.911 178.666 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 55.6 p -58.23 -34.33 70.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.006 -1.059 . . . . 0.0 108.632 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 58.4 mm-40 . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.386 -0.822 . . . . 0.0 . 179.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.621 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 6.4 p80 -58.35 -36.89 74.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.825 -1.172 . . . . 0.0 108.487 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.621 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 83.0 tttt -60.03 -28.74 68.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.97 -40.0 83.44 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 179.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.75 -32.16 73.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.735 -0.603 . . . . 0.0 110.197 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -59.97 -24.62 64.56 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.035 -1.041 . . . . 0.0 110.779 -178.787 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -49.86 -35.21 22.43 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.476 -1.39 . . . . 0.0 109.418 -178.646 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.52 -34.29 41.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.869 178.888 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 45.3 p -59.96 -33.25 71.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.993 -1.067 . . . . 0.0 108.482 -179.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 58.0 mm-40 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.447 -0.783 . . . . 0.0 . 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.219 0.533 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m 55.76 39.94 30.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -72.76 -13.44 61.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.565 -0.71 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -43.27 -21.45 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.27 -0.894 . . . . 0.0 110.444 -178.369 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' GLU . 87.7 tt0 -70.07 -40.16 75.2 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.458 179.183 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 2' ' ' GLU . 28.5 ttpt -79.35 -46.52 17.48 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.876 -0.515 . . . . 0.0 110.697 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -65.04 -48.51 73.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.361 -0.837 . . . . 0.0 111.41 -178.093 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.3 mtt -60.05 -40.02 88.0 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 -178.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 4' ' ' GLU . 54.6 t -64.21 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.67 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -68.25 -34.61 76.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 111.525 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.92 -39.94 87.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.463 -1.398 . . . . 0.0 107.671 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.65 -40.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.814 -0.554 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.73 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.753 -1.217 . . . . 0.0 111.609 -178.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.59 -33.51 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.804 -1.185 . . . . 0.0 110.275 -178.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' A' ' 18' ' ' SER . 65.0 t80 -59.86 -40.03 87.24 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.49 -1.381 . . . . 0.0 108.882 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -76.73 -22.16 54.25 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -54.6 -44.43 73.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.269 -0.894 . . . . 0.0 110.765 -178.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' HD12 ' A' ' 35' ' ' LEU . 16.0 p90 -118.31 -24.5 6.88 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 121.108 -0.995 . . . . 0.0 111.344 -179.199 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 48.3 m -60.09 -40.2 88.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.614 -1.304 . . . . 0.0 109.39 -179.574 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 2.8 63.31 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 70.2 ttt180 -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.161 -1.199 . . . . 0.0 108.41 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 99.5 mt-10 -114.13 163.17 15.56 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.425 0.631 . . . . 0.0 109.381 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.41 -19.22 0.03 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 69.4 m-20 -77.94 85.05 4.2 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.773 -1.428 . . . . 0.0 109.853 -179.216 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -94.35 -42.45 8.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.405 -0.809 . . . . 0.0 110.284 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -92.89 0.12 57.34 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.146 -0.971 . . . . 0.0 110.246 -178.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -139.96 157.02 46.35 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -122.91 117.77 26.34 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.418 -0.801 . . . . 0.0 109.766 -178.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.4 mtmp? -90.46 149.81 22.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.675 -1.266 . . . . 0.0 108.449 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -44.37 -21.74 0.05 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' LYS . 85.7 p -70.61 -49.49 47.09 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.778 -179.437 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.64 -33.48 74.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.974 -1.079 . . . . 0.0 108.858 179.211 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.96 -40.98 90.89 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -62.41 -39.98 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.592 -0.693 . . . . 0.0 109.622 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 77.2 mm-40 -60.58 -39.99 90.06 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 110.294 -179.027 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -70.02 -44.37 69.43 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.707 -1.246 . . . . 0.0 109.065 179.675 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' N ' HD23 ' A' ' 35' ' ' LEU . 88.8 mt -70.03 -41.24 79.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.174 -0.954 . . . . 0.0 112.461 -177.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -84.08 -32.87 24.55 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.343 -1.473 . . . . 0.0 111.771 -178.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.01 -36.72 8.91 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.64 -17.76 33.02 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.319 -1.488 . . . . 0.0 110.537 -177.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.05 58.86 0.65 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.358 -0.838 . . . . 0.0 109.092 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -60.0 -40.09 88.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.215 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -141.47 -9.99 0.95 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.042 -1.036 . . . . 0.0 110.307 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.88 -30.02 67.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.99 -1.069 . . . . 0.0 109.932 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.8 165.39 27.61 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -66.07 119.0 10.64 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.312 -1.355 . . . . 0.0 109.497 -179.542 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.8 153.07 44.3 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 110.039 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.452 HD12 HG21 ' A' ' 36' ' ' ILE . 60.6 mt -102.63 129.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.255 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -106.81 -20.08 13.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.722 . . . . 0.0 110.042 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 45.2 tp10 -119.59 138.58 53.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.336 -0.853 . . . . 0.0 108.968 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.15 -22.31 66.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.459 -0.776 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -59.97 -38.07 81.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.177 -0.952 . . . . 0.0 109.957 -178.813 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.06 -39.69 81.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.77 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 120.426 -0.509 . . . . 0.0 109.852 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.37 -39.01 93.04 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.211 1.005 . . . . 0.0 109.194 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.95 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.53 -32.82 73.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.216 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.21 -39.97 80.4 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.176 -1.577 . . . . 0.0 107.128 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -77.41 -46.61 22.15 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.818 -0.551 . . . . 0.0 111.326 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 76' ' ' PHE . 31.6 mt -89.31 -15.55 33.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.94 -1.1 . . . . 0.0 111.705 -177.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.0 t0 -81.92 59.52 4.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.144 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.15 -37.08 76.43 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 69.1 m-20 -77.01 -10.03 59.09 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.33 29.91 70.0 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -107.25 8.68 30.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.368 -1.078 . . . . 0.0 110.124 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.2 18.98 77.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -150.43 125.89 10.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.92 130.32 45.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.03 -1.044 . . . . 0.0 108.481 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.83 159.91 33.73 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.571 -0.706 . . . . 0.0 109.664 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 2.3 t80 -46.5 -39.9 11.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.427 -0.795 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -67.92 -39.98 83.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 110.34 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 45.2 mt-10 -63.06 -42.11 99.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.7 -1.25 . . . . 0.0 110.381 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.6 -36.35 82.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.269 -0.894 . . . . 0.0 109.112 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 75.6 mmm -60.0 -38.95 84.12 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.584 -178.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.51 69.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.772 -1.205 . . . . 0.0 111.383 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.722 ' HB2' HD21 ' A' ' 60' ' ' LEU . 42.3 t80 -69.98 -20.25 63.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.596 -1.315 . . . . 0.0 109.57 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.465 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.9 t -75.02 -36.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.29 -0.881 . . . . 0.0 109.153 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -62.37 -45.14 94.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.0 110.298 -179.515 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.4 ptm -70.62 -39.99 73.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 111.46 -178.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 76' ' ' PHE . 80.0 t -60.01 -40.02 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.736 -1.228 . . . . 0.0 109.397 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -39.8 86.67 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.425 HG23 ' CE2' ' B' ' 70' ' ' PHE . 5.1 m -49.75 -34.5 19.3 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.25 87.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 88' ' ' PHE . 63.5 m -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.471 -0.768 . . . . 0.0 109.162 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -59.95 -40.09 87.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.372 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -40.02 88.13 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 0.0 109.008 178.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -86.05 -25.2 26.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 109.655 -179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.4 t80 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.144 -0.973 . . . . 0.0 108.525 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.56 39.84 31.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.209 -0.932 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.8 mt-10 -72.88 -13.07 61.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.465 -0.772 . . . . 0.0 110.471 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 2' ' ' GLU . 80.0 mt -43.45 -21.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.899 . . . . 0.0 110.391 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' B' ' 2' ' ' GLU . 87.6 tt0 -69.97 -39.95 75.69 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.442 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 2' ' ' GLU . 29.1 ttpt -79.33 -46.91 16.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.866 -0.521 . . . . 0.0 110.765 -179.499 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.71 -48.54 74.26 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 111.418 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.4 mtt -59.98 -40.04 87.79 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.276 -0.89 . . . . 0.0 109.814 -178.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 4' ' ' GLU . 54.5 t -64.17 -39.17 84.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 O-C-N 121.399 -0.813 . . . . 0.0 109.68 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -67.88 -34.89 77.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.503 -0.748 . . . . 0.0 111.618 -178.151 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.9 -39.96 87.15 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.517 -1.365 . . . . 0.0 107.582 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.75 -40.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.788 -0.57 . . . . 0.0 110.696 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 61.3 t0 -61.61 -43.33 99.06 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.869 -1.144 . . . . 0.0 111.576 -178.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.71 -33.68 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.83 -1.169 . . . . 0.0 110.236 -178.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' B' ' 18' ' ' SER . 65.2 t80 -59.86 -39.98 87.05 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.442 -1.411 . . . . 0.0 108.956 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -76.49 -22.21 54.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.214 -0.929 . . . . 0.0 110.35 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -54.79 -44.01 73.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.756 -177.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -118.58 -24.38 6.78 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.14 -0.975 . . . . 0.0 111.302 -179.206 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 50.1 m -60.18 -40.47 90.1 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.651 -1.281 . . . . 0.0 109.412 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 2.71 62.32 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 70.2 ttt180 -60.02 -42.88 95.32 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.147 -1.208 . . . . 0.0 108.446 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.8 mt-10 -114.19 163.11 15.67 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.461 0.648 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.06 -19.61 0.03 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' B' ' 21' ' ' GLU . 69.5 m-20 -77.64 85.17 3.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.765 -1.432 . . . . 0.0 109.857 -179.217 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -94.33 -42.55 8.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.434 -0.791 . . . . 0.0 110.257 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -92.72 0.02 57.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.264 -0.897 . . . . 0.0 110.361 -178.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -139.86 157.1 46.26 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -122.18 117.54 26.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 -178.177 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 30' ' ' SER . 6.6 mtmp? -90.47 150.0 21.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.642 -1.286 . . . . 0.0 108.358 178.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 28' ' ' LYS . 61.9 pttt -44.51 -21.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.202 -0.937 . . . . 0.0 108.851 178.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 28' ' ' LYS . 81.6 p -70.5 -49.29 49.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.847 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.91 -33.17 73.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.017 -1.052 . . . . 0.0 108.848 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.1 -41.06 91.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.34 -40.06 95.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.588 -0.695 . . . . 0.0 109.562 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 77.3 mm-40 -60.53 -39.97 89.81 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.06 -1.025 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.463 HD23 ' N ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -70.06 -44.4 69.23 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.632 -1.292 . . . . 0.0 109.148 179.596 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.482 HG21 HD12 ' B' ' 47' ' ' ILE . 90.8 mt -70.01 -41.41 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.377 -177.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.73 -33.19 25.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.487 -1.383 . . . . 0.0 111.838 -178.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.99 -36.85 8.87 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -177.173 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -86.45 -17.79 33.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.335 -1.478 . . . . 0.0 110.579 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 33.5 mt -113.13 58.86 0.65 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.391 -0.818 . . . . 0.0 108.92 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -40.14 87.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -141.41 -9.72 0.96 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.02 -30.07 67.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.031 -1.043 . . . . 0.0 109.954 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.75 165.66 26.86 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -66.36 119.16 11.1 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.269 -1.372 . . . . 0.0 109.478 -179.521 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.97 153.03 44.63 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 109.985 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.482 HD12 HG21 ' B' ' 36' ' ' ILE . 61.6 mt -102.51 129.99 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.135 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.92 -20.31 13.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.464 -0.772 . . . . 0.0 110.011 -178.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 45.7 tp10 -119.39 138.68 52.93 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.341 -0.849 . . . . 0.0 108.96 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -65.16 -22.25 66.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.472 -0.768 . . . . 0.0 110.56 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 0.7 OUTLIER -59.99 -38.25 82.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.091 -1.006 . . . . 0.0 110.009 -178.79 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.98 -39.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.15 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.806 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.36 -39.06 93.13 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.191 0.996 . . . . 0.0 109.262 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.17 -40.03 86.54 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.98 -28.82 44.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.99 -32.5 72.11 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.265 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.46 -40.01 81.5 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.135 -1.603 . . . . 0.0 107.023 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -77.26 -46.54 22.8 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.744 -0.597 . . . . 0.0 111.394 179.53 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' B' ' 76' ' ' PHE . 32.1 mt -89.3 -15.51 33.31 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.781 -1.2 . . . . 0.0 111.685 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.1 t0 -81.95 59.76 4.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.1 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -59.44 -36.89 76.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.1 m-20 -77.23 -9.7 58.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.408 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.86 30.01 68.74 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -107.25 8.85 30.13 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.443 -1.034 . . . . 0.0 110.06 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.76 19.19 76.53 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -150.24 125.69 10.19 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.8 130.32 45.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.962 -1.086 . . . . 0.0 108.513 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.83 160.01 33.54 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.5 -0.75 . . . . 0.0 109.687 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 2.2 t80 -46.57 -39.77 11.63 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.217 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -68.11 -39.91 82.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 43.7 mt-10 -63.04 -42.23 99.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.872 -1.143 . . . . 0.0 110.344 -179.359 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -66.7 -36.27 82.11 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 109.118 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.3 mmm -59.95 -38.99 84.08 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.299 0.571 . . . . 0.0 110.596 -178.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.57 70.06 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.701 -1.249 . . . . 0.0 111.324 -178.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' B' ' 60' ' ' LEU . 42.1 t80 -69.91 -20.34 63.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.628 -1.295 . . . . 0.0 109.667 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.45 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.8 t -74.87 -36.9 40.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.313 -0.867 . . . . 0.0 109.113 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 74' ' ' MET . 4.2 m -62.14 -45.26 94.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.0 110.247 -179.386 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptm -70.54 -40.02 73.69 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 111.469 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 76' ' ' PHE . 74.2 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.748 -1.22 . . . . 0.0 109.414 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.91 -39.98 87.29 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.409 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.7 m -49.75 -34.34 18.81 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.08 87.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 108.599 178.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' B' ' 88' ' ' PHE . 64.3 m -59.99 -34.28 73.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.437 -0.79 . . . . 0.0 109.242 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.984 -1.072 . . . . 0.0 108.353 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.09 -40.09 88.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 108.926 178.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -86.11 -25.0 26.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -0.796 . . . . 0.0 109.738 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.4 t80 . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.164 -0.96 . . . . 0.0 108.586 179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.514 ' CD ' ' N ' ' X' ' 104' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.588 0.708 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.51 ' O ' ' SD ' ' X' ' 109' ' ' MET . 86.2 t60 -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.487 -0.758 . . . . 0.0 109.521 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -59.96 -37.41 79.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.392 -0.818 . . . . 0.0 109.883 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -59.39 -39.95 85.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.495 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.889 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 19.2 tp -69.12 -38.67 79.01 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.186 -0.946 . . . . 0.0 110.032 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -49.2 -24.53 1.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 109.729 -179.304 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.563 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -42.24 -46.28 4.42 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.244 -0.91 . . . . 0.0 110.303 -179.077 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.889 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 0.6 OUTLIER -74.05 -34.43 64.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.018 -1.052 . . . . 0.0 109.93 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 42.0 p -60.86 -38.92 87.25 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.794 -1.191 . . . . 0.0 108.06 179.611 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.587 -0.696 . . . . 0.0 . 179.362 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' Y' ' 104' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.57 0.7 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 86.2 t60 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.482 -0.761 . . . . 0.0 109.461 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -59.98 -37.27 79.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -59.69 -39.96 86.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.021 -1.049 . . . . 0.0 109.524 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.835 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 19.6 tp -69.15 -38.56 78.84 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -49.13 -24.53 1.69 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.941 -1.1 . . . . 0.0 109.734 -179.431 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -42.32 -45.88 4.39 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.28 -0.888 . . . . 0.0 110.387 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.835 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 0.6 OUTLIER -74.18 -35.41 63.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -60.01 -38.54 82.95 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.173 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 O-C-N 121.544 -0.723 . . . . 0.0 . 179.41 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.4 ' C ' ' H ' ' A' ' 2' ' ' GLU . 62.7 mtt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 61.14 7.19 1.51 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.309 -0.87 . . . . 0.0 109.015 -179.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.9 pt-20 -76.39 13.9 0.86 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 3' ' ' LEU . 2.9 tm? -59.78 -40.15 87.32 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.477 -0.765 . . . . 0.0 109.466 -178.577 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.94 -38.63 82.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.894 -1.129 . . . . 0.0 110.26 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.99 -36.22 75.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.072 -1.018 . . . . 0.0 109.862 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -39.98 84.32 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.495 -0.753 . . . . 0.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.8 mtt -68.97 -39.88 79.17 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 108.938 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.3 -37.18 79.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.022 -179.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.56 69.31 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.237 -0.914 . . . . 0.0 110.211 -178.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.643 HD12 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -59.82 -40.54 88.79 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.68 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.97 -40.01 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.741 -0.6 . . . . 0.0 110.961 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.01 -42.28 93.97 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.817 -1.177 . . . . 0.0 112.388 -177.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -39.04 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.679 -1.263 . . . . 0.0 110.381 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 68.8 t80 -57.89 -39.97 79.15 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.728 -1.232 . . . . 0.0 109.254 -179.06 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.95 -27.59 69.24 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.11 -0.994 . . . . 0.0 109.643 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -40.14 88.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.082 -1.012 . . . . 0.0 111.132 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -95.86 -31.02 13.35 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.809 -1.182 . . . . 0.0 112.348 -178.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.536 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 54.0 m -60.08 -40.02 88.11 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.458 -1.401 . . . . 0.0 109.898 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.24 0.18 80.83 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -59.95 -46.39 89.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.084 -1.245 . . . . 0.0 109.347 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -114.6 164.19 14.37 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.19 -16.19 1.31 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.2 m-20 -80.73 64.52 5.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.617 -1.52 . . . . 0.0 109.495 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.0 -38.96 76.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.879 . . . . 0.0 110.624 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -77.62 -19.03 56.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.064 -1.023 . . . . 0.0 111.368 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 23' ' ' ASP . 17.9 pttp -138.31 157.51 46.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.996 -1.065 . . . . 0.0 109.435 -179.607 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.82 122.66 48.3 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.54 -0.725 . . . . 0.0 109.097 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' SER . 37.8 pttt -98.11 155.65 17.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.722 -1.236 . . . . 0.0 109.519 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -43.9 -24.51 0.14 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 109.838 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LYS . 17.2 t -73.31 -51.5 17.32 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.491 -179.594 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 mt-10 -63.82 -36.78 85.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.0 -40.48 89.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.66 -0.65 . . . . 0.0 109.784 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.99 -40.01 91.82 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.173 -0.954 . . . . 0.0 110.207 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -66.71 -37.43 84.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.208 -0.932 . . . . 0.0 109.519 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.2 tt -66.16 -48.86 69.35 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.076 -1.015 . . . . 0.0 109.683 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -69.12 -45.34 79.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.12 -0.987 . . . . 0.0 111.052 -178.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -70.88 -41.07 71.83 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.08 . . . . 0.0 112.151 -177.643 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.06 -31.79 11.6 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 21.4 tt0 -79.34 -9.96 59.7 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.122 -1.611 . . . . 0.0 109.225 -178.079 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.35 52.18 0.85 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.633 -0.667 . . . . 0.0 109.263 179.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 43' ' ' PHE . 66.9 m -61.3 109.76 1.23 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.129 -0.982 . . . . 0.0 110.297 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 56.22 -11.73 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.71 -0.619 . . . . 0.0 111.631 179.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.3 t80 -69.88 -39.71 76.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.59 -1.319 . . . . 0.0 109.078 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.17 160.66 37.14 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' NE ' ' X' ' 104' ' ' ARG . 85.9 tt0 -58.49 112.72 1.69 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.883 -1.136 . . . . 0.0 109.248 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.37 164.12 11.9 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.868 0.842 . . . . 0.0 110.064 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.49 135.97 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.387 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -107.46 -25.02 11.59 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.281 -0.887 . . . . 0.0 109.614 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -123.77 143.66 50.17 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.402 -0.811 . . . . 0.0 110.276 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.706 HE21 ' H ' ' A' ' 51' ' ' GLU . 1.3 pm0 -69.11 -18.23 63.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.706 ' H ' HE21 ' A' ' 50' ' ' GLN . 15.7 pt-20 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 109.569 -179.781 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.9 t -60.02 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.759 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.49 -40.06 87.62 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.186 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.98 -39.6 95.23 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.242 -0.911 . . . . 0.0 109.908 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -64.89 -39.99 94.41 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.7 -31.22 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 84.0 mmm -70.0 -30.34 67.64 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.871 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.92 -40.03 87.47 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.439 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -77.09 -42.65 37.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.862 -0.524 . . . . 0.0 111.468 178.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.52 -22.0 30.34 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.949 -1.094 . . . . 0.0 109.884 -178.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.5 t0 -81.73 63.34 5.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.875 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.6 -39.05 79.33 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -78.61 -11.3 59.96 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.464 -0.772 . . . . 0.0 109.21 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.8 42.72 92.87 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.09 -0.87 26.26 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.241 -1.152 . . . . 0.0 110.051 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.98 1.13 87.17 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -146.16 149.88 34.83 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.51 51.66 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -75.21 167.96 20.9 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 p90 -57.52 -38.12 74.16 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 117.966 -1.493 . . . . 0.0 109.056 -178.481 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -61.65 -40.03 93.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 109.938 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.31 -40.25 95.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.471 -1.393 . . . . 0.0 108.857 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 77' ' ' VAL . 50.8 t80 -64.9 -33.69 76.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.535 -0.728 . . . . 0.0 109.694 179.601 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.643 ' SD ' HD12 ' A' ' 10' ' ' LEU . 87.2 mmm -60.09 -37.48 80.07 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.313 0.578 . . . . 0.0 110.35 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.53 75.1 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.262 -178.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 80' ' ' VAL . 65.7 t80 -70.02 -34.05 72.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 0.0 110.72 -179.2 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -60.9 -39.92 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 O-C-N 121.256 -0.902 . . . . 0.0 109.275 -179.931 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -64.28 -39.96 95.0 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.552 -0.718 . . . . 0.0 110.055 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.57 -41.65 75.56 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.603 -178.358 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 76' ' ' PHE . 38.9 t -65.94 -37.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 120.657 -1.277 . . . . 0.0 108.653 -179.294 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -60.05 -39.94 87.72 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.458 HG23 ' CZ ' ' B' ' 70' ' ' PHE . 26.1 m -55.34 -38.77 69.2 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -62.32 -38.78 90.73 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.528 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.0 m -60.02 -37.6 80.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.265 -0.897 . . . . 0.0 109.904 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -58.6 -38.74 78.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.912 -1.117 . . . . 0.0 108.129 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.93 -38.3 81.98 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -83.56 -39.0 20.94 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.215 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.404 ' C ' ' H ' ' B' ' 2' ' ' GLU . 65.1 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.432 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.8 m 60.96 7.14 1.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 108.916 -179.464 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 0' ' ' MET . 19.1 pt-20 -76.25 14.0 0.82 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 3' ' ' LEU . 2.9 tm? -59.92 -39.99 87.33 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.421 -0.8 . . . . 0.0 109.351 -178.422 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.1 -38.69 83.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.853 -1.154 . . . . 0.0 110.223 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.8 -36.36 75.61 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.875 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -39.93 84.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.55 -0.719 . . . . 0.0 111.497 -178.156 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 mtt -68.99 -39.94 79.05 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 108.959 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.3 -36.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.17 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.38 -34.03 67.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.99 . . . . 0.0 110.146 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.608 HD12 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -59.95 -40.57 89.42 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.692 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -70.0 -40.04 78.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.75 -0.594 . . . . 0.0 110.892 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.17 -42.11 94.28 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.147 . . . . 0.0 112.279 -177.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -38.97 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.75 -1.219 . . . . 0.0 110.355 -178.688 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 72.2 t80 -58.03 -39.91 79.55 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.732 -1.23 . . . . 0.0 109.276 -179.164 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.81 -27.95 69.53 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.17 -0.956 . . . . 0.0 109.598 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.07 -40.08 88.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.028 -1.045 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -95.61 -31.12 13.43 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.701 -1.249 . . . . 0.0 112.391 -178.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.551 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 54.1 m -59.99 -40.08 87.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.393 -1.442 . . . . 0.0 109.897 -179.018 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.79 0.02 79.23 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -60.03 -46.19 90.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.066 -1.255 . . . . 0.0 109.468 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -114.96 164.02 14.74 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.83 -16.27 1.14 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.221 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 98.9 m-20 -80.78 64.68 5.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.632 -1.51 . . . . 0.0 109.533 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -69.93 -39.48 76.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.826 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -77.49 -18.89 56.68 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.142 -0.974 . . . . 0.0 111.392 -177.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' B' ' 23' ' ' ASP . 17.7 pttp -138.55 157.63 45.79 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.952 -1.093 . . . . 0.0 109.449 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.88 122.75 48.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.581 -0.699 . . . . 0.0 109.16 -178.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.5 pttt -98.11 155.67 17.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.786 -1.196 . . . . 0.0 109.597 179.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.87 -24.51 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.503 -0.748 . . . . 0.0 109.873 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 28' ' ' LYS . 21.9 t -73.63 -51.18 17.66 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.447 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 50.2 mt-10 -63.94 -37.03 85.91 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.115 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.72 -40.58 88.5 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.715 -0.616 . . . . 0.0 109.718 -179.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.8 -40.05 91.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.71 -37.58 84.99 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.118 -0.988 . . . . 0.0 109.482 -178.492 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.689 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.6 tt -65.69 -49.32 68.95 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.221 -0.924 . . . . 0.0 109.606 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.13 -45.56 79.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 121.171 -0.956 . . . . 0.0 111.051 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -70.62 -40.89 72.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -99.08 -31.97 11.5 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 21.2 tt0 -79.36 -9.96 59.71 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.15 -1.594 . . . . 0.0 109.249 -178.068 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -114.26 52.33 0.84 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.564 ' C ' ' H ' ' B' ' 43' ' ' PHE . 75.1 m -61.27 109.21 1.07 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.185 -0.947 . . . . 0.0 110.292 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 56.15 -11.34 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.715 -0.616 . . . . 0.0 111.588 179.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.564 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.5 t80 -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.536 -1.352 . . . . 0.0 109.013 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -133.91 160.77 36.68 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.516 ' OE2' ' NE ' ' Y' ' 104' ' ' ARG . 84.1 tt0 -58.67 112.58 1.67 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.879 -1.138 . . . . 0.0 109.395 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.1 163.87 11.7 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.859 0.838 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -96.24 136.23 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -108.1 -24.58 11.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.258 -0.901 . . . . 0.0 109.585 -179.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -123.77 143.43 50.31 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.457 -0.777 . . . . 0.0 110.266 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.698 HE21 ' N ' ' B' ' 51' ' ' GLU . 1.2 pm0 -69.15 -17.99 63.89 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.832 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.698 ' N ' HE21 ' B' ' 50' ' ' GLN . 15.5 pt-20 -60.93 -39.95 91.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.176 -0.952 . . . . 0.0 109.517 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 98.4 t -59.98 -40.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.57 -40.01 87.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.201 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.74 -39.85 95.38 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.83 -40.06 94.57 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.9 t -66.34 -31.56 54.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 61' ' ' ASP . 84.2 mmm -70.0 -30.35 67.65 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.81 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -39.73 86.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 178.37 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -77.27 -42.77 35.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.752 -0.592 . . . . 0.0 111.306 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.28 -21.89 30.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.914 -1.116 . . . . 0.0 110.075 -178.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.8 t0 -81.87 63.29 6.05 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -58.55 -39.09 79.25 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.81 -11.08 59.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.433 -0.792 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.85 42.65 92.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -104.9 -0.96 26.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.2 -1.176 . . . . 0.0 110.121 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.01 1.11 87.22 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 -178.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -146.07 149.96 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.43 51.77 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.4 t0 -75.55 166.79 23.03 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.1 p90 -56.01 -38.78 70.96 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.947 -1.501 . . . . 0.0 109.32 -178.512 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.702 -1.249 . . . . 0.0 110.014 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.6 -40.01 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.372 -1.455 . . . . 0.0 108.812 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.445 ' O ' HG23 ' B' ' 77' ' ' VAL . 49.5 t80 -64.88 -33.95 77.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.6 -0.688 . . . . 0.0 109.515 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.608 ' SD ' HD12 ' B' ' 10' ' ' LEU . 87.3 mmm -59.85 -38.03 80.96 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.42 0.628 . . . . 0.0 110.514 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.46 75.4 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.288 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.527 ' CE2' HG21 ' B' ' 80' ' ' VAL . 67.3 t80 -70.0 -34.33 73.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 110.585 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -60.33 -39.98 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.93 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -64.33 -40.0 95.02 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.558 -0.714 . . . . 0.0 110.159 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -69.53 -41.84 75.45 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.356 -178.151 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.527 HG21 ' CE2' ' B' ' 76' ' ' PHE . 37.3 t -65.75 -37.71 80.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 120.68 -1.262 . . . . 0.0 108.66 -179.225 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 64.9 m -60.0 -39.75 86.86 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.439 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 23.5 m -55.73 -38.77 70.2 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.687 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -61.77 -39.17 90.71 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.474 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.17 -37.46 80.23 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.383 -0.823 . . . . 0.0 109.987 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -58.63 -38.8 78.86 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.929 -1.107 . . . . 0.0 108.052 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.01 -37.93 81.16 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.024 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.58 -39.34 20.48 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.239 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.545 ' NE ' ' OE2' ' A' ' 45' ' ' GLU . 5.2 ptm180 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.546 0.689 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 7.4 p-80 -59.8 -39.21 84.19 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.947 -1.096 . . . . 0.0 108.225 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 46.2 tptt -59.7 -30.6 68.91 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 61.5 tttm -58.28 -40.13 81.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.0 -179.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.41 -24.39 39.69 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.39 -0.819 . . . . 0.0 109.926 178.52 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -57.91 -24.83 59.48 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.648 -1.282 . . . . 0.0 110.55 -178.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -53.77 -28.18 33.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.13 -1.606 . . . . 0.0 108.792 -179.505 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 2.0 mmpt? -69.94 -39.98 75.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.861 -1.15 . . . . 0.0 108.437 176.294 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 80.7 p -60.13 -36.04 76.62 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.138 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.81 . . . . 0.0 . 179.759 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.516 ' NE ' ' OE2' ' B' ' 45' ' ' GLU . 5.2 ptm180 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.481 0.658 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.608 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.4 p-80 -59.97 -38.99 84.11 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.608 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.1 tptt -59.86 -30.84 69.25 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.616 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.4 tttm -58.03 -40.25 80.37 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.06 -1.025 . . . . 0.0 109.061 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.49 -24.65 39.3 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.415 -0.803 . . . . 0.0 109.973 178.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 34.0 mmt -57.75 -24.67 58.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.683 -1.261 . . . . 0.0 110.363 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.474 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -53.98 -28.01 35.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.021 -1.674 . . . . 0.0 108.618 -179.445 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.474 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 2.3 mmpt? -69.99 -39.95 75.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.911 -1.118 . . . . 0.0 108.52 176.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -60.01 -35.76 75.76 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.196 -179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 . 179.868 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.82 27.81 17.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.31 -0.869 . . . . 0.0 109.563 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLU . 45.5 mt-10 -74.7 -10.0 59.1 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.519 -0.738 . . . . 0.0 109.106 179.387 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -42.91 -24.66 0.07 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.501 -0.75 . . . . 0.0 110.523 -178.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' GLU . 18.6 pt-20 -72.03 -36.25 69.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.804 -1.185 . . . . 0.0 109.948 179.332 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -82.81 -30.75 28.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.982 -1.074 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.02 -40.04 72.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.076 . . . . 0.0 110.181 -179.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -66.87 -40.03 87.7 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.09 -38.65 83.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.156 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.91 75.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.182 -0.948 . . . . 0.0 110.679 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD21 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.55 -39.99 81.79 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.234 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.88 -39.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.854 -0.529 . . . . 0.0 110.999 179.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.02 -46.16 90.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.759 -1.213 . . . . 0.0 111.946 -177.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -40.01 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.917 . . . . 0.0 111.301 -177.078 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.06 -39.94 87.75 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.295 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -65.14 -27.94 69.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.316 -179.567 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.05 -40.5 89.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.704 -1.247 . . . . 0.0 110.236 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.476 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 49.1 m-85 -92.01 -29.92 16.35 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.863 -1.148 . . . . 0.0 111.719 -179.264 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 50.2 p -60.06 -39.59 86.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.071 -1.018 . . . . 0.0 109.821 -179.023 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.98 -6.23 89.61 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' HH11 ' A' ' 20' ' ' ARG . 32.4 ttt-85 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.087 -1.243 . . . . 0.0 109.726 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -91.75 -2.04 57.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.038 -1.039 . . . . 0.0 109.033 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.0 -9.99 75.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 26' ' ' LYS . 52.1 m-20 -83.16 69.1 9.83 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.148 -1.207 . . . . 0.0 108.563 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.82 -39.99 94.47 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -179.397 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -77.62 -24.27 49.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.127 -0.983 . . . . 0.0 111.812 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -139.19 157.72 45.43 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.812 -1.18 . . . . 0.0 109.435 -179.503 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.3 131.56 53.7 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.371 -0.831 . . . . 0.0 109.794 -178.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' SER . 65.2 tttm -100.47 146.46 27.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.028 -1.045 . . . . 0.0 109.618 -179.659 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -44.19 -23.92 0.13 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.427 -0.796 . . . . 0.0 109.698 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.8 m -74.57 -50.36 18.28 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.682 -0.807 . . . . 0.0 109.114 -179.628 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 55.8 tt0 -64.58 -36.14 83.28 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.03 -40.4 89.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.755 -0.591 . . . . 0.0 109.648 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.549 ' NZ ' HD22 ' A' ' 37' ' ' ASN . 58.4 tttm -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.302 -0.874 . . . . 0.0 110.008 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -61.29 -39.96 92.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.895 -1.128 . . . . 0.0 108.743 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.02 74.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.854 -1.154 . . . . 0.0 109.861 178.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.94 -43.49 79.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.498 -0.751 . . . . 0.0 112.677 -177.248 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.549 HD22 ' NZ ' ' A' ' 33' ' ' LYS . 99.0 m-20 -76.83 -35.06 57.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.61 -1.306 . . . . 0.0 112.328 -177.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -98.8 -30.47 12.4 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.268 -0.895 . . . . 0.0 113.014 -177.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.63 -10.51 58.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.099 -1.625 . . . . 0.0 109.114 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.3 mt -132.78 58.54 1.76 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.3 m -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 110.044 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -138.02 -11.46 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.267 -0.896 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -70.02 -28.09 65.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.926 -1.109 . . . . 0.0 109.091 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tp -142.21 171.59 13.84 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.283 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 14.9 pt-20 -70.65 117.76 12.59 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.689 -1.204 . . . . 0.0 109.801 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.68 156.82 25.75 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.487 HG12 HH22 ' X' ' 104' ' ' ARG . 58.8 mt -101.91 127.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 O-C-N 120.957 -1.09 . . . . 0.0 108.552 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.46 -20.02 16.65 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.583 -0.698 . . . . 0.0 111.248 -176.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 78.6 tt0 -128.51 136.4 50.75 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.117 -0.99 . . . . 0.0 110.088 -178.308 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.448 HE21 ' HB ' ' A' ' 53' ' ' VAL . 56.5 tp60 -60.04 -25.34 65.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.578 -0.701 . . . . 0.0 110.074 -179.634 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.0 -38.57 82.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.179 -0.951 . . . . 0.0 110.263 -179.114 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.05 -39.98 81.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.448 ' HB ' HE21 ' A' ' 50' ' ' GLN . 37.4 t -63.57 -36.81 77.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.4 -38.28 90.48 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.753 0.787 . . . . 0.0 109.969 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.25 -28.43 43.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.8 -35.45 77.03 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.359 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.61 -38.64 67.03 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 m -80.03 -49.54 11.65 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.143 -179.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 15.5 mt -89.65 -14.47 34.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.81 -1.181 . . . . 0.0 110.961 -177.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' MET . 38.1 t0 -81.85 60.95 4.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.021 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 86.6 mt-10 -59.64 -40.01 86.24 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.03 -19.49 63.3 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.21 80.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 23.6 p-10 -107.86 11.56 27.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.514 -0.992 . . . . 0.0 109.915 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 2.25 87.99 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 17.4 pt-20 -145.08 133.71 22.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.558 -0.966 . . . . 0.0 108.659 179.523 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 141.22 33.71 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' PHE . 86.6 m-20 -78.46 160.55 27.65 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 10.4 t80 -46.61 -35.75 6.23 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.306 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -59.99 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.545 -0.722 . . . . 0.0 110.861 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 35.7 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 110.718 -177.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.4 t80 -69.93 -31.68 69.56 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.938 -1.101 . . . . 0.0 109.348 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.9 mmm -59.97 -38.07 81.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.663 -0.648 . . . . 0.0 109.795 -178.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.597 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.307 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.473 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -60.18 -36.31 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.81 -0.556 . . . . 0.0 110.266 -178.91 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -63.0 -39.98 96.4 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.476 -178.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtm -71.43 -45.78 61.82 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.142 -179.022 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.49 -37.95 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.553 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.6 m -59.94 -39.16 84.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.6 m -57.58 -39.4 76.68 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.415 -0.803 . . . . 0.0 108.869 178.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 -34.73 71.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 109.883 -179.225 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 11.9 t-80 -60.08 -39.93 87.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.032 -1.042 . . . . 0.0 108.537 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 0.0 109.616 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.11 -31.46 25.26 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.162 -0.961 . . . . 0.0 110.337 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.191 -0.943 . . . . 0.0 108.6 -179.602 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.63 28.03 17.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.342 -0.849 . . . . 0.0 109.608 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 4' ' ' GLU . 46.1 mt-10 -74.8 -10.01 59.1 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.55 -0.719 . . . . 0.0 109.11 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' B' ' 2' ' ' GLU . 10.2 tp -42.91 -24.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.552 -0.717 . . . . 0.0 110.525 -178.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 2' ' ' GLU . 18.4 pt-20 -71.97 -36.37 69.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.846 -1.159 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -82.65 -30.97 28.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.95 -1.094 . . . . 0.0 110.344 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.04 72.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.945 -1.097 . . . . 0.0 110.168 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -66.75 -40.0 88.12 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.22 -38.43 82.63 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.526 -0.734 . . . . 0.0 110.1 -179.42 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.17 75.44 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.625 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.421 HD21 HG11 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.141 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.91 -39.97 78.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.003 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.06 -46.15 90.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.88 -1.137 . . . . 0.0 111.932 -177.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -40.03 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 0.0 111.217 -177.085 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.02 -39.95 87.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.918 -1.114 . . . . 0.0 109.346 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.418 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 63.5 m-70 -65.24 -27.82 68.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.269 -0.895 . . . . 0.0 110.271 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.07 -40.45 89.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.803 -1.186 . . . . 0.0 110.324 -179.31 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 49.0 m-85 -91.9 -30.1 16.33 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.815 -1.178 . . . . 0.0 111.617 -179.323 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.476 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.3 p -60.06 -39.54 86.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.111 -0.993 . . . . 0.0 109.809 -178.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.15 -6.05 89.66 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' B' ' 20' ' ' ARG . 29.5 ttt-85 -60.04 -49.89 75.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.301 . . . . 0.0 109.713 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -91.64 -2.16 57.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.07 -1.019 . . . . 0.0 109.003 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.04 75.35 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' B' ' 26' ' ' LYS . 52.3 m-20 -83.21 69.14 9.87 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.189 -1.183 . . . . 0.0 108.526 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.9 -39.9 94.24 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.32 -0.862 . . . . 0.0 110.323 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.66 -24.2 49.45 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.172 -0.955 . . . . 0.0 111.763 -178.247 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.5 pttp -139.29 157.82 45.23 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.541 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.38 131.7 53.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.383 -0.823 . . . . 0.0 109.765 -178.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' SER . 63.0 tttm -100.58 146.53 27.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.98 -1.075 . . . . 0.0 109.595 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -44.18 -23.82 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.37 -0.831 . . . . 0.0 109.71 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 68.4 m -74.85 -50.02 18.52 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.16 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 56.1 tt0 -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.355 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.06 -40.36 89.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.707 -0.621 . . . . 0.0 109.69 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.557 ' NZ ' HD22 ' B' ' 37' ' ' ASN . 59.7 tttm -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.299 -0.875 . . . . 0.0 110.019 -179.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.5 OUTLIER -61.09 -40.03 92.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.934 -1.104 . . . . 0.0 108.767 179.858 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.04 74.25 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.877 -1.139 . . . . 0.0 109.908 178.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.05 -43.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 112.663 -177.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.557 HD22 ' NZ ' ' B' ' 33' ' ' LYS . 99.0 m-20 -77.05 -35.01 57.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.59 -1.319 . . . . 0.0 112.324 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -98.67 -30.64 12.34 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.245 -0.91 . . . . 0.0 112.974 -177.461 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.41 -10.82 58.18 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.129 -1.607 . . . . 0.0 109.11 -178.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.59 58.67 1.75 Allowed 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -60.03 -40.05 88.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.986 -179.306 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -138.18 -11.13 1.47 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.234 -0.916 . . . . 0.0 110.189 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.04 -28.06 65.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 109.068 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.28 171.84 13.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.27 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 15.9 pt-20 -70.76 117.89 12.85 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.787 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.535 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 38.0 tt0 -63.82 156.67 26.68 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.454 HG12 HH22 ' Y' ' 104' ' ' ARG . 63.8 mt -101.54 128.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.959 -1.088 . . . . 0.0 108.529 179.337 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.91 -20.03 16.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.511 -0.743 . . . . 0.0 111.093 -176.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.1 tt0 -128.45 136.36 50.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.125 -178.298 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.444 HE21 ' HB ' ' B' ' 53' ' ' VAL . 56.5 tp60 -59.99 -25.37 65.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.495 -0.753 . . . . 0.0 109.962 -179.49 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 1.3 pp20? -59.95 -38.68 83.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.167 -0.958 . . . . 0.0 110.337 -179.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.444 ' HB ' HE21 ' B' ' 50' ' ' GLN . 27.8 t -63.33 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.386 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.15 -38.36 90.76 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.722 0.773 . . . . 0.0 109.979 -179.354 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.59 -38.99 77.53 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.41 -28.49 43.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.73 -35.43 77.13 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.373 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -54.53 -38.74 66.93 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.141 -1.599 . . . . 0.0 106.74 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.7 m -79.97 -49.46 11.81 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.149 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 16.5 mt -89.66 -14.43 34.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.831 -1.168 . . . . 0.0 111.003 -177.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.5 t0 -81.97 60.81 4.98 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 83.8 mt-10 -59.51 -40.05 85.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.01 -19.4 63.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.57 32.19 80.42 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 23.8 p-10 -107.9 11.5 27.95 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.997 . . . . 0.0 109.933 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 2.16 88.13 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.3 pt-20 -144.96 133.77 22.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.519 -0.989 . . . . 0.0 108.705 179.581 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 141.1 33.89 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' B' ' 70' ' ' PHE . 85.7 m-20 -78.36 160.34 27.86 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' B' ' 69' ' ' ASP . 10.2 t80 -46.42 -35.64 5.74 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.287 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.621 -0.675 . . . . 0.0 110.93 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 35.7 mt-10 -60.05 -40.01 87.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.74 -177.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.429 ' O ' HG23 ' B' ' 77' ' ' VAL . 61.1 t80 -69.9 -31.61 69.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.056 -1.027 . . . . 0.0 109.309 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.1 mmm -60.01 -38.09 81.62 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.705 -0.622 . . . . 0.0 109.731 -179.004 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.666 -178.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.104 -0.997 . . . . 0.0 110.379 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -60.29 -36.37 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.82 -0.55 . . . . 0.0 110.207 -178.81 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -62.98 -40.02 96.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.537 -178.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 mtm -71.23 -46.21 61.62 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.099 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.0 -38.07 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 118.984 -1.087 . . . . 0.0 109.641 -178.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -39.46 85.78 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -57.28 -39.54 75.9 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.94 87.76 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.3 m -58.73 -34.58 71.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.477 -0.764 . . . . 0.0 109.907 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.018 -1.051 . . . . 0.0 108.517 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.04 -39.94 94.04 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -84.27 -31.29 25.03 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.154 -0.966 . . . . 0.0 110.32 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.202 -0.936 . . . . 0.0 108.611 -179.613 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.526 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.492 0.663 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' X' ' 104' ' ' ARG . 63.4 t60 -59.99 -39.71 86.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.213 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -59.99 -31.26 69.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.147 -0.971 . . . . 0.0 109.401 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -59.34 -40.34 86.05 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.539 -1.351 . . . . 0.0 107.595 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.62 ' HG ' ' HZ1' ' X' ' 111' ' ' LYS . 5.1 tt -66.71 -37.06 83.94 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.444 ' O ' ' C ' ' X' ' 110' ' ' PHE . 13.5 mmt -46.46 -24.36 0.5 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.959 -1.088 . . . . 0.0 110.068 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.4 p90 -39.89 -49.44 2.42 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.396 -0.815 . . . . 0.0 109.823 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.62 ' HZ1' ' HG ' ' X' ' 108' ' ' LEU . 11.5 ptpt -73.87 -36.78 64.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 10.3 m -60.04 -40.02 87.91 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 C--N 1.304 -1.413 0 O-C-N 121.466 -0.771 . . . . 0.0 . 179.293 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.538 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.497 0.665 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' Y' ' 104' ' ' ARG . 66.9 t60 -59.95 -39.65 86.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.219 -0.926 . . . . 0.0 109.192 -179.379 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -60.01 -31.15 69.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -59.77 -40.15 87.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.504 -1.372 . . . . 0.0 107.611 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.594 ' HG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.0 tt -66.5 -37.38 84.93 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.634 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.45 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 13.9 mmt -46.2 -24.44 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.915 -1.116 . . . . 0.0 110.067 -179.646 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.4 p90 -39.91 -49.3 2.42 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -0.784 . . . . 0.0 109.941 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.594 ' HZ1' ' HG ' ' Y' ' 108' ' ' LEU . 11.5 ptpt -74.01 -36.73 64.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.272 -0.893 . . . . 0.0 109.827 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.418 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 10.9 m -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 . . . . . 0 C--N 1.304 -1.407 0 O-C-N 121.516 -0.74 . . . . 0.0 . 179.239 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.37 32.04 20.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.35 -0.844 . . . . 0.0 109.142 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.55 -1.89 7.7 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.845 0.831 . . . . 0.0 108.919 179.423 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.486 ' HB2' HG21 ' B' ' 13' ' ' VAL . 1.9 tm? -59.81 -35.24 74.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 -177.504 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.89 -40.1 87.58 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.499 -1.376 . . . . 0.0 111.506 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.44 -31.92 60.5 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.36 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.471 -0.768 . . . . 0.0 111.735 -177.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.5 mtt -69.64 -39.13 77.29 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.88 -1.138 . . . . 0.0 109.622 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.89 -33.31 55.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.679 -0.638 . . . . 0.0 109.754 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.78 75.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.513 -0.742 . . . . 0.0 111.262 -179.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.98 -40.26 88.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.468 -1.395 . . . . 0.0 108.398 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.0 -38.69 82.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 O-C-N 121.657 -0.652 . . . . 0.0 110.066 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.33 -45.88 91.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.818 -1.176 . . . . 0.0 110.99 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' B' ' 3' ' ' LEU . 2.1 t -63.01 -39.99 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.304 -0.872 . . . . 0.0 111.048 -178.71 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.447 ' O ' ' OG ' ' A' ' 18' ' ' SER . 74.4 t80 -55.78 -39.95 71.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.149 -0.969 . . . . 0.0 108.916 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -75.38 -21.5 58.24 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.177 -0.952 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -59.88 -40.5 88.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.526 -1.359 . . . . 0.0 110.993 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 16.3 p90 -119.07 -24.0 6.65 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.098 -1.001 . . . . 0.0 111.328 -179.179 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 53.0 p -67.55 -38.09 83.64 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.616 -1.303 . . . . 0.0 109.461 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.1 -8.89 85.45 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -60.37 -42.62 96.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -1.09 . . . . 0.0 109.687 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.54 162.82 15.71 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.727 0.775 . . . . 0.0 109.916 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.75 -24.87 4.47 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 26' ' ' LYS . 85.7 m-20 -73.31 51.02 0.32 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.671 -1.487 . . . . 0.0 109.635 -179.486 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -71.31 -40.11 71.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.869 -1.144 . . . . 0.0 109.832 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -83.27 -11.59 57.6 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 23' ' ' ASP . 1.9 ptpm? -135.24 159.38 41.74 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 14' ' ' PHE . 7.8 tp -122.53 109.39 14.28 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.016 -1.053 . . . . 0.0 109.869 -178.386 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 30' ' ' SER . 39.6 pttt -89.74 149.73 22.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.778 -1.201 . . . . 0.0 109.046 179.181 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.0 ptpt -38.98 -24.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.121 0.486 . . . . 0.0 110.491 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.6 m -72.67 -45.24 59.91 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.644 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -68.09 -38.91 82.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.054 -1.029 . . . . 0.0 108.995 179.106 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.86 -39.95 86.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 108.915 179.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HD3' HG21 ' A' ' 53' ' ' VAL . 21.8 tptm -60.0 -39.7 86.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.96 -40.03 95.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.576 -0.702 . . . . 0.0 110.92 -178.136 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 17' ' ' TYR . 2.2 tt -67.56 -48.91 65.59 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 120.43 -1.419 . . . . 0.0 108.682 179.644 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -70.26 -43.15 78.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.326 -0.859 . . . . 0.0 111.689 -177.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.2 t-20 -77.9 -36.73 49.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.534 -1.354 . . . . 0.0 111.688 -178.258 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.405 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -98.69 -37.95 9.29 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.786 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.23 -19.07 24.58 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.223 -1.548 . . . . 0.0 110.733 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -114.34 51.76 0.87 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.235 -0.915 . . . . 0.0 109.627 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -72.29 -61.66 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.041 -1.037 . . . . 0.0 110.67 -179.433 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -8.76 39.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.877 -1.139 . . . . 0.0 109.91 -179.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -48.59 80.24 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.5 pp -159.46 175.62 13.08 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.487 -0.758 . . . . 0.0 109.68 179.562 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -52.85 99.03 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.73 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 pt-20 -63.67 164.28 10.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.4 mm -79.94 140.37 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 110.203 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.528 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.61 -16.78 14.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 109.988 -179.793 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.39 152.28 48.25 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.248 -0.908 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.3 62.41 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.571 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -61.06 -39.98 91.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.422 -0.799 . . . . 0.0 110.54 -179.003 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.76 -39.85 83.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.467 HG21 ' HD3' ' A' ' 33' ' ' LYS . 46.4 t -63.76 -37.01 78.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.26 -39.93 94.51 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.046 0.927 . . . . 0.0 109.18 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.46 -39.79 92.42 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.39 -27.69 41.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.88 -32.28 70.54 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.363 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.84 -36.03 67.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -83.05 -48.87 10.13 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.198 -179.74 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.5 mt -89.08 -15.16 34.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.783 -1.198 . . . . 0.0 110.683 -177.667 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.5 t0 -80.09 63.93 4.76 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.271 -1.372 . . . . 0.0 107.5 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -59.52 -39.87 85.31 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.419 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.26 -20.09 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.01 76.05 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p-10 -109.99 14.12 23.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.259 -1.142 . . . . 0.0 110.31 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.4 17.55 76.25 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 -179.008 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 35.5 tt0 -152.01 138.93 19.0 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.668 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.33 141.62 47.38 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' PHE . 76.5 m-20 -74.97 160.32 30.71 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.338 -0.851 . . . . 0.0 109.0 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' B' ' 82' ' ' THR . 2.6 t80 -46.52 -36.39 6.69 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.176 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.858 -0.526 . . . . 0.0 110.692 178.39 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.13 -40.08 88.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 110.005 -178.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -61.38 -39.76 91.86 Favored 'General case' 0 C--N 1.296 -1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.305 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -60.11 -39.62 86.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.648 -0.657 . . . . 0.0 111.064 -178.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -65.88 -34.16 77.5 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.703 -1.248 . . . . 0.0 110.488 -178.445 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.34 -35.73 76.33 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.035 -1.041 . . . . 0.0 110.585 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -34.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 O-C-N 121.371 -0.831 . . . . 0.0 110.094 -178.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 9.3 p -66.92 -40.21 87.57 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.355 -0.84 . . . . 0.0 110.556 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.6 ptm -75.15 -40.08 59.91 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.464 -178.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 48.9 t -66.41 -36.67 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.557 -1.34 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -59.96 -40.11 87.89 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.444 HG23 ' CE2' ' B' ' 70' ' ' PHE . 11.6 m -55.53 -39.57 70.73 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.578 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -59.98 -35.98 76.16 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 4.8 t -60.01 -34.95 74.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -59.6 -40.19 86.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.866 -1.146 . . . . 0.0 108.506 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.69 -39.49 91.34 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.505 -0.747 . . . . 0.0 109.212 178.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -84.96 -24.18 28.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 111.035 -178.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 84' ' ' CYS . 55.5 t80 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.222 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.46 31.75 20.39 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 109.144 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.58 -2.25 8.54 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.913 0.863 . . . . 0.0 108.974 179.401 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 13' ' ' VAL . 2.1 tm? -59.65 -35.07 73.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.826 -177.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -39.68 87.51 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.54 -1.35 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.34 -32.29 60.84 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.824 -1.173 . . . . 0.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.16 74.54 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.62 -177.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.1 mtt -69.31 -39.36 78.32 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.959 -1.088 . . . . 0.0 109.67 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.91 -33.38 55.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.562 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.84 75.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.476 -0.765 . . . . 0.0 111.401 -178.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.01 -40.5 89.47 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.627 -1.296 . . . . 0.0 108.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.72 -38.82 83.16 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 121.809 -0.557 . . . . 0.0 110.113 179.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.79 -45.28 95.01 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.806 -1.184 . . . . 0.0 110.909 -179.201 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.486 HG21 ' HB2' ' A' ' 3' ' ' LEU . 2.1 t -63.29 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.309 -0.869 . . . . 0.0 111.004 -178.642 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.442 ' O ' ' OG ' ' B' ' 18' ' ' SER . 69.6 t80 -55.96 -39.5 71.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.072 -1.017 . . . . 0.0 108.853 -179.606 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -75.48 -21.95 57.63 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.078 -1.014 . . . . 0.0 111.073 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.62 -40.63 88.2 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.544 -1.347 . . . . 0.0 111.026 -177.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.7 p90 -119.09 -23.59 6.78 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.121 -0.987 . . . . 0.0 111.362 -179.068 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -68.12 -37.22 80.86 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.574 -1.329 . . . . 0.0 109.529 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 -8.21 86.97 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -1.126 . . . . 0.0 109.548 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.34 163.24 15.09 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.685 0.755 . . . . 0.0 109.904 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.88 -25.42 5.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.4 m-20 -72.95 50.84 0.28 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.788 -1.419 . . . . 0.0 109.689 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -70.79 -40.07 72.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.882 -1.136 . . . . 0.0 109.622 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.118 -0.989 . . . . 0.0 111.533 -178.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' B' ' 23' ' ' ASP . 1.8 ptpm? -135.85 158.95 43.14 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' B' ' 14' ' ' PHE . 8.0 tp -122.08 109.18 14.24 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.974 -1.079 . . . . 0.0 109.821 -178.287 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.7 pttt -89.05 149.91 23.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.671 -1.268 . . . . 0.0 109.0 179.158 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.3 ptpt -39.19 -24.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.808 -0.558 . . . . 0.0 110.578 179.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 28' ' ' LYS . 65.8 m -72.66 -45.6 58.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.631 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.06 -38.85 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.066 . . . . 0.0 108.824 179.323 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.78 -39.97 86.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' B' ' 53' ' ' VAL . 21.3 tptm -60.05 -40.02 87.97 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.31 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.63 -40.0 95.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' B' ' 17' ' ' TYR . 2.3 tt -67.32 -49.14 65.35 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.313 -1.492 . . . . 0.0 108.769 179.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.06 -43.12 79.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.371 -0.83 . . . . 0.0 111.662 -177.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.9 t-20 -78.35 -36.3 46.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.47 -1.394 . . . . 0.0 111.748 -178.168 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.66 -38.31 9.17 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -90.15 -19.28 24.44 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.422 -1.424 . . . . 0.0 110.701 -177.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.2 mt -114.07 51.45 0.87 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.236 -0.915 . . . . 0.0 109.659 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.8 t -71.95 -61.56 1.74 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.069 -1.019 . . . . 0.0 110.942 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 -8.46 38.31 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.858 -1.151 . . . . 0.0 109.839 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -48.98 78.28 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 46' ' ' GLU . 1.7 pp -159.12 174.84 14.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.422 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.7 tp10 -52.78 99.55 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.587 -179.503 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 44' ' ' LEU . 15.2 pt-20 -64.04 164.58 10.34 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.463 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.6 mm -80.31 140.18 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.001 -1.062 . . . . 0.0 110.117 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -106.39 -17.2 14.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.536 -0.728 . . . . 0.0 109.803 -179.661 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -138.16 152.52 48.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -21.91 62.09 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.01 -39.96 91.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.415 -0.803 . . . . 0.0 110.449 -179.191 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.91 -39.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.46 HG21 ' HD3' ' B' ' 33' ' ' LYS . 46.6 t -63.65 -36.8 77.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.559 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.51 -39.79 94.64 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 122.113 0.959 . . . . 0.0 109.163 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -65.42 -40.41 93.32 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.12 -27.82 41.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.085 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -70.07 -31.8 69.57 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.442 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.15 -36.4 68.23 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 178.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -82.41 -49.02 10.44 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.186 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 mt -88.95 -15.07 35.17 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.835 -1.166 . . . . 0.0 110.841 -177.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.9 t0 -79.94 63.38 4.45 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 118.241 -1.384 . . . . 0.0 107.583 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.38 -39.74 84.32 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -70.07 -20.15 63.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.99 29.99 76.12 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 30.8 p-10 -110.03 14.37 23.01 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.367 -1.078 . . . . 0.0 110.295 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.495 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.86 17.86 75.62 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -179.07 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.3 tt0 -151.95 139.25 19.37 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.808 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 141.9 47.03 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' B' ' 70' ' ' PHE . 76.6 m-20 -75.51 161.0 29.56 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.444 ' CE2' HG23 ' A' ' 82' ' ' THR . 2.5 t80 -46.61 -36.42 6.93 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.071 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.47 -49.19 78.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.695 -0.628 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.35 -39.76 88.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 110.202 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.61 -38.99 92.33 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.338 -0.851 . . . . 0.0 109.188 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.99 -39.6 86.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.673 -0.642 . . . . 0.0 111.101 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.11 -33.81 76.62 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.787 -1.195 . . . . 0.0 110.571 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -61.17 -35.04 76.06 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.88 -1.138 . . . . 0.0 110.516 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -68.72 -34.62 65.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 121.295 -0.878 . . . . 0.0 110.0 -178.65 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 5.6 p -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.865 . . . . 0.0 110.496 -178.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.7 ptm -75.12 -40.49 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.971 -1.081 . . . . 0.0 111.447 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.82 -37.28 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.495 -1.378 . . . . 0.0 109.251 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.9 m -59.9 -39.85 86.79 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.443 HG23 ' CE2' ' A' ' 70' ' ' PHE . 11.7 m -55.41 -40.0 70.91 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.496 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.57 75.1 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' B' ' 88' ' ' PHE . 4.7 t -60.16 -35.02 74.4 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.55 -40.08 86.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.939 -1.101 . . . . 0.0 108.505 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.69 -39.76 91.61 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.13 178.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -84.76 -24.25 28.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.3 t80 . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.954 -1.091 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.9 OUTLIER -57.9 -31.31 66.64 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.557 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 87.4 tttt -59.91 -32.64 70.95 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.664 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttm -59.5 -40.07 85.83 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.864 -1.147 . . . . 0.0 108.154 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.14 -26.32 64.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 109.878 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -61.98 -24.74 67.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.558 -1.339 . . . . 0.0 109.816 179.856 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.75 -31.22 10.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.548 -1.345 . . . . 0.0 109.257 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.93 -30.97 40.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.386 -0.821 . . . . 0.0 109.436 179.267 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 77.6 p -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.916 -1.115 . . . . 0.0 108.594 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.423 -0.798 . . . . 0.0 . 179.838 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 121.29 0.567 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.5 OUTLIER -58.1 -31.28 66.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.013 -1.054 . . . . 0.0 108.553 179.925 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 88.2 tttt -60.18 -32.65 71.27 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.2 tttm -59.67 -39.72 85.39 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.901 -1.125 . . . . 0.0 108.336 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.38 -26.05 64.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 0.0 109.56 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.19 -24.73 67.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.591 -1.318 . . . . 0.0 109.949 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.51 -31.51 10.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.561 -1.337 . . . . 0.0 109.266 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -79.68 -31.42 41.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.351 -0.843 . . . . 0.0 109.553 179.504 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 71.3 p -59.72 -33.63 71.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.977 -1.077 . . . . 0.0 108.72 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 . 179.675 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 t 58.49 16.7 4.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.252 -0.905 . . . . 0.0 110.524 179.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 5' ' ' LYS . 41.9 mt-10 -76.01 2.01 13.87 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 108.575 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.25 -28.72 0.34 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.965 -0.459 . . . . 0.0 110.638 -178.516 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -40.01 81.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 0.0 108.564 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -70.01 -38.76 76.03 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.915 -0.491 . . . . 0.0 110.182 -179.9 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.01 82.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 111.136 -178.041 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.7 mtt -66.04 -40.01 90.65 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.936 -1.103 . . . . 0.0 109.751 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.59 -38.84 83.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 109.644 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.91 85.28 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.558 -0.714 . . . . 0.0 111.798 -178.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.708 HD11 HD11 ' B' ' 10' ' ' LEU . 20.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.76 -1.212 . . . . 0.0 108.137 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.98 -40.05 86.29 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.19 -47.22 86.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.678 -1.264 . . . . 0.0 111.124 -178.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -39.97 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.03 -1.044 . . . . 0.0 109.381 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 7.3 t80 -59.71 -37.32 78.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.154 -0.966 . . . . 0.0 109.026 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.4 -33.33 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.267 -0.896 . . . . 0.0 111.251 -179.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.99 -40.38 88.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.496 -1.378 . . . . 0.0 110.56 -178.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.96 -22.57 17.87 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.955 -1.091 . . . . 0.0 112.148 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.9 p -60.01 -40.01 87.78 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 120.872 -1.143 . . . . 0.0 108.474 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.33 55.79 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -60.01 -47.76 84.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.827 -1.396 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -109.23 -24.22 11.22 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.252 -0.905 . . . . 0.0 109.769 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.41 -16.71 4.08 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.3 m-20 -81.26 75.5 8.22 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.828 -1.395 . . . . 0.0 108.234 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.93 -40.03 95.52 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.36 -0.837 . . . . 0.0 109.671 -179.218 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -80.8 -16.55 53.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.809 . . . . 0.0 111.32 -179.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 94.6 mttt -134.65 150.84 50.7 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.878 -1.139 . . . . 0.0 110.919 -179.11 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.97 130.44 56.53 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 35.9 mtmm -97.32 151.6 19.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.102 -0.999 . . . . 0.0 108.574 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.17 -23.0 0.73 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 28' ' ' LYS . 80.9 p -77.18 -49.94 14.05 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.279 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 28' ' ' LYS . 78.2 mt-10 -61.65 -36.26 80.28 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.455 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -37.53 80.08 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HZ3' ' HB2' ' A' ' 37' ' ' ASN . 22.3 tptp -59.91 -40.08 87.59 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.183 -0.948 . . . . 0.0 109.341 -179.781 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 30' ' ' SER . 5.0 mp0 -69.97 -40.07 75.58 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 110.51 -179.001 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.1 tm? -61.06 -49.02 79.05 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.568 -1.332 . . . . 0.0 108.701 179.166 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.76 -44.62 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.669 -0.645 . . . . 0.0 112.551 -178.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.4 t-20 -79.09 -29.92 43.58 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.583 -1.323 . . . . 0.0 113.808 -175.439 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -101.42 -38.36 8.05 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.076 -1.015 . . . . 0.0 113.229 -176.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' C ' HD22 ' A' ' 40' ' ' LEU . 3.1 tp10 -79.41 -12.51 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.608 -1.308 . . . . 0.0 109.68 -177.441 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.627 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.4 mm? -100.96 50.8 0.86 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.185 -0.947 . . . . 0.0 108.963 179.4 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LEU . 19.0 m -41.53 -56.21 2.62 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.201 -0.937 . . . . 0.0 110.384 -178.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -142.82 1.07 1.28 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.946 -1.096 . . . . 0.0 110.048 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -69.99 -37.74 75.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.02 -1.05 . . . . 0.0 109.754 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.584 ' CB ' HD12 ' A' ' 40' ' ' LEU . 21.6 tp -138.14 155.05 49.11 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.437 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -61.6 115.88 4.3 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.562 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -61.04 165.63 4.09 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.839 0.828 . . . . 0.0 109.812 179.265 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.4 mm -87.14 138.97 18.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 109.748 -178.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.37 148.15 52.16 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.399 -0.813 . . . . 0.0 110.392 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -69.47 -21.83 63.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.605 -0.685 . . . . 0.0 110.12 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.441 HG13 ' HD1' ' X' ' 105' ' ' HIS . 94.1 t -60.02 -39.62 80.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.177 -0.952 . . . . 0.0 108.642 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.18 -34.26 68.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 110.172 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.21 -38.46 88.03 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 122.004 0.906 . . . . 0.0 109.462 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.23 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.624 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.23 -30.89 70.92 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.492 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.62 -39.98 86.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.145 -1.597 . . . . 0.0 106.744 178.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -81.26 -40.2 24.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.629 -0.669 . . . . 0.0 111.215 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' A' ' 76' ' ' PHE . 10.9 mt -88.48 -19.93 25.82 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.892 -1.13 . . . . 0.0 110.778 -178.211 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 46.8 t0 -82.08 60.62 4.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.712 -1.242 . . . . 0.0 107.779 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 79.7 mt-10 -59.96 -39.92 87.29 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.289 0.566 . . . . 0.0 109.573 -178.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 68.0 m-20 -76.16 -11.63 59.96 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.659 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.6 31.31 78.22 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 49.0 p-10 -106.33 3.01 27.09 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.215 -1.168 . . . . 0.0 109.431 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.571 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.65 6.39 88.3 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.3 mt-10 -138.21 129.24 27.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.712 -0.875 . . . . 0.0 109.052 -179.429 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.69 127.04 42.3 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' PHE . 89.8 m-20 -77.76 169.64 17.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.784 . . . . 0.0 110.875 -177.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 7.3 t80 -41.37 -42.36 2.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.68 -50.96 63.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.708 -0.62 . . . . 0.0 110.585 179.729 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 39.1 mt-10 -60.0 -42.04 93.39 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.349 -0.844 . . . . 0.0 111.278 -178.101 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.58 -36.76 83.41 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 109.303 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.478 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -39.92 87.98 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.499 0.666 . . . . 0.0 110.944 -178.044 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.98 69.94 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 120.897 -1.127 . . . . 0.0 111.436 -177.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.705 ' HB2' HD21 ' A' ' 60' ' ' LEU . 50.1 t80 -66.37 -36.54 83.12 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.967 -1.083 . . . . 0.0 110.074 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.38 -39.93 84.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.437 -0.789 . . . . 0.0 109.792 -179.664 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.455 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -66.16 -40.01 90.21 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.506 -179.077 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.8 mtp -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.541 -0.725 . . . . 0.0 111.188 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' A' ' 76' ' ' PHE . 94.7 t -69.54 -33.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.95 -1.094 . . . . 0.0 109.346 -179.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.0 m -59.9 -39.99 87.25 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -40.62 66.59 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.9 88.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.23 -0.919 . . . . 0.0 108.573 178.024 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.0 t -60.03 -31.38 69.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.026 . . . . 0.0 109.25 179.781 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.485 ' CD2' ' CZ ' ' B' ' 70' ' ' PHE . 43.9 t-80 -60.02 -49.34 78.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 0.0 109.863 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -34.54 76.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.804 -1.185 . . . . 0.0 108.696 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -80.34 -21.38 42.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.539 -0.726 . . . . 0.0 109.732 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 44.4 t80 . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.239 -0.913 . . . . 0.0 109.026 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t 58.1 16.79 4.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.315 -0.865 . . . . 0.0 110.537 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 5' ' ' LYS . 41.9 mt-10 -75.9 1.62 14.64 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.715 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.15 -28.56 0.3 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.965 -0.46 . . . . 0.0 110.673 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -39.94 81.68 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.794 -1.191 . . . . 0.0 108.549 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.11 -38.79 75.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.9 -0.5 . . . . 0.0 110.279 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.95 83.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.252 -0.905 . . . . 0.0 111.207 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.31 -39.91 89.61 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.57 -39.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 O-C-N 121.66 -0.65 . . . . 0.0 109.666 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.0 85.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 0.0 111.857 -178.028 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.708 HD11 HD11 ' A' ' 10' ' ' LEU . 21.6 mt -60.05 -40.02 88.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.648 -1.283 . . . . 0.0 107.954 -179.236 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.98 -39.94 85.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.521 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 96.7 m-20 -60.17 -47.25 86.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.747 -1.221 . . . . 0.0 111.204 -178.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -40.03 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.965 -1.084 . . . . 0.0 109.394 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 7.4 t80 -59.53 -37.39 78.25 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.109 -0.995 . . . . 0.0 109.05 179.554 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.23 -33.48 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 111.27 -179.049 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.606 ' N ' ' NE2' ' B' ' 16' ' ' GLN . 0.1 OUTLIER -60.04 -40.19 88.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.531 -1.355 . . . . 0.0 110.625 -178.917 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -95.03 -22.56 17.85 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.957 -1.089 . . . . 0.0 112.181 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.93 -40.04 87.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.521 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.34 13.11 56.69 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -60.05 -47.71 84.72 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.841 -1.388 . . . . 0.0 110.78 -178.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.13 -24.38 11.18 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.25 -0.906 . . . . 0.0 109.801 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 -16.96 4.01 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 -81.05 75.42 8.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.358 . . . . 0.0 108.301 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.8 -40.03 95.67 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.424 -0.798 . . . . 0.0 109.655 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -80.99 -16.57 53.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.363 -0.836 . . . . 0.0 111.342 -179.127 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 23' ' ' ASP . 95.6 mttt -134.7 150.57 50.63 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.857 -1.152 . . . . 0.0 110.861 -179.165 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.56 130.93 56.27 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' B' ' 31' ' ' GLU . 36.2 mtmm -97.59 151.89 19.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.091 -1.006 . . . . 0.0 108.515 179.276 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -48.39 -22.94 0.79 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' B' ' 28' ' ' LYS . 79.3 p -77.13 -50.02 13.94 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.234 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' B' ' 28' ' ' LYS . 82.9 mt-10 -61.51 -36.36 80.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.05 -37.57 80.23 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.453 ' HZ3' ' HB2' ' B' ' 37' ' ' ASN . 21.3 tptp -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.192 -0.943 . . . . 0.0 109.303 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE1' ' O ' ' B' ' 30' ' ' SER . 5.0 mp0 -70.05 -40.02 75.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 110.577 -179.172 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.712 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.86 -49.23 78.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.455 -1.403 . . . . 0.0 108.704 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.66 -44.41 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.677 -0.639 . . . . 0.0 112.643 -178.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.4 t-20 -79.08 -30.58 44.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.49 -1.381 . . . . 0.0 113.723 -175.371 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -101.17 -37.89 8.36 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 121.088 -1.008 . . . . 0.0 113.359 -176.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.507 ' C ' HD22 ' B' ' 40' ' ' LEU . 3.0 tp10 -79.6 -12.46 59.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.524 -1.36 . . . . 0.0 109.73 -177.629 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.638 HD22 ' N ' ' B' ' 40' ' ' LEU . 2.3 mm? -101.03 50.89 0.86 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.266 -0.896 . . . . 0.0 108.843 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' B' ' 40' ' ' LEU . 18.6 m -41.68 -56.29 2.68 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.258 -0.901 . . . . 0.0 110.232 -178.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -142.74 1.32 1.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.93 -1.106 . . . . 0.0 110.036 179.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -69.95 -38.04 76.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.031 -1.043 . . . . 0.0 109.701 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.557 ' CB ' HD12 ' B' ' 40' ' ' LEU . 21.1 tp -138.28 155.2 48.84 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -61.45 115.49 3.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.922 -1.111 . . . . 0.0 108.646 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -60.93 165.5 4.05 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.857 0.837 . . . . 0.0 109.699 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.459 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 5.3 mm -87.09 138.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -106.86 -22.82 12.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 109.724 -179.009 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.29 148.25 52.1 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.394 -0.816 . . . . 0.0 110.433 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -69.38 -21.94 63.75 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.4 pt-20 -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.416 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 81.5 t -60.08 -39.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.03 -1.044 . . . . 0.0 108.519 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.84 -34.32 69.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 O-C-N 121.891 -0.506 . . . . 0.0 110.195 -179.402 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.32 -38.36 87.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.94 0.876 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -69.98 -39.16 76.11 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.19 -30.8 51.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.58 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.99 -30.92 71.17 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.514 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.56 -39.98 85.84 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.1 m -81.57 -39.94 23.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.55 -0.719 . . . . 0.0 111.234 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' B' ' 76' ' ' PHE . 10.8 mt -88.52 -20.24 25.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.884 -1.135 . . . . 0.0 110.815 -178.359 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.8 t0 -81.8 60.54 4.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 107.824 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.49 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 79.4 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.279 0.561 . . . . 0.0 109.5 -178.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 67.8 m-20 -75.83 -11.58 60.01 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.217 -0.927 . . . . 0.0 108.54 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.39 31.26 78.38 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 49.0 p-10 -106.22 3.15 27.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.204 -1.174 . . . . 0.0 109.366 -179.64 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.557 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.5 6.7 88.12 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -179.219 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.7 mt-10 -138.59 129.68 26.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.736 -0.861 . . . . 0.0 108.95 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.99 126.67 42.29 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.24 169.17 18.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.492 -0.755 . . . . 0.0 110.952 -178.065 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.558 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 7.5 t80 -41.05 -42.28 1.91 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.94 -50.61 63.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 39.1 mt-10 -60.44 -41.8 94.8 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.36 -0.838 . . . . 0.0 111.168 -177.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.92 -36.53 82.45 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.018 -1.051 . . . . 0.0 109.234 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.475 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.44 -39.71 88.49 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.5 0.666 . . . . 0.0 110.857 -178.05 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.09 70.28 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.917 -1.114 . . . . 0.0 111.45 -177.731 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.682 ' HB2' HD21 ' B' ' 60' ' ' LEU . 48.9 t80 -66.63 -36.17 81.93 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.933 -1.105 . . . . 0.0 110.079 -179.543 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.94 85.13 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 O-C-N 121.446 -0.784 . . . . 0.0 109.727 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.456 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -66.27 -39.97 89.8 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.111 -1.036 . . . . 0.0 109.521 -179.011 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 34.4 mtp -64.26 -40.95 97.05 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.532 -0.73 . . . . 0.0 111.251 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.453 HG21 ' CE2' ' B' ' 76' ' ' PHE . 97.0 t -69.52 -33.72 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 -179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.07 -39.96 87.86 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -40.34 65.79 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.02 89.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.187 -0.946 . . . . 0.0 108.496 177.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.8 t -59.96 -31.39 69.83 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.02 -1.05 . . . . 0.0 109.322 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.528 ' CD2' ' CZ ' ' A' ' 70' ' ' PHE . 44.2 t-80 -59.94 -49.54 77.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.977 -1.077 . . . . 0.0 109.884 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -34.66 76.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.724 -1.235 . . . . 0.0 108.717 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.3 -21.38 42.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.463 -0.773 . . . . 0.0 109.74 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 44.4 t80 . . . . . 0 N--CA 1.487 1.423 0 O-C-N 121.276 -0.89 . . . . 0.0 109.071 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.441 ' HD1' HG13 ' A' ' 52' ' ' VAL . 69.8 t60 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.179 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.56 -33.66 74.24 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.98 -43.21 95.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.314 -178.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.526 ' CD2' ' NZ ' ' X' ' 111' ' ' LYS . 2.9 tp -73.07 -29.19 62.77 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.103 -0.998 . . . . 0.0 109.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.537 ' O ' ' N ' ' X' ' 112' ' ' THR . 30.5 mmt -56.93 -24.23 51.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.992 -1.067 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 6.4 p90 -40.01 -46.99 2.2 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.201 -0.937 . . . . 0.0 109.624 -179.274 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.612 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 24.5 pttt -69.7 -32.9 71.76 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.186 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.537 ' N ' ' O ' ' X' ' 109' ' ' MET . 89.4 m -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.592 -0.692 . . . . 0.0 109.16 -178.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.359 -0.838 . . . . 0.0 . -179.826 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 109.277 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.49 -34.03 74.79 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.51 -0.744 . . . . 0.0 109.042 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -59.96 -43.22 95.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 110.425 -178.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.527 ' CD2' ' NZ ' ' Y' ' 111' ' ' LYS . 3.3 tp -73.13 -29.02 62.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.046 -1.034 . . . . 0.0 109.26 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.529 ' O ' ' N ' ' Y' ' 112' ' ' THR . 30.4 mmt -57.12 -24.23 52.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.083 -1.011 . . . . 0.0 110.608 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 6.3 p90 -39.94 -47.21 2.18 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.155 -0.966 . . . . 0.0 109.652 -179.237 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 25.2 pttt -69.19 -34.01 74.25 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.529 ' N ' ' O ' ' Y' ' 109' ' ' MET . 84.9 m -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.653 -0.654 . . . . 0.0 109.381 -179.223 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.535 -0.728 . . . . 0.0 . -179.474 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.573 ' H ' HE22 ' B' ' 16' ' ' GLN . 1.4 m 60.0 32.78 21.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -75.93 23.4 0.13 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.153 -0.967 . . . . 0.0 109.406 179.607 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 1' ' ' SER . 56.1 tp -59.65 -26.81 65.82 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.916 -0.713 . . . . 0.0 109.083 -179.767 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.48 -39.98 92.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.171 -0.956 . . . . 0.0 108.988 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -68.3 -40.02 81.88 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.926 -0.484 . . . . 0.0 110.812 -178.644 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.04 74.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 111.353 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.36 -39.93 89.44 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.041 -1.037 . . . . 0.0 109.683 -179.18 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.17 -37.05 78.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.76 88.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.802 -0.561 . . . . 0.0 111.47 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CE ' ' A' ' 74' ' ' MET . 39.3 mt -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.667 -1.271 . . . . 0.0 108.238 -179.052 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.96 -37.3 72.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 121.793 -0.567 . . . . 0.0 110.477 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.11 -43.48 98.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.016 -1.053 . . . . 0.0 111.638 -178.342 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -39.89 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.04 -1.038 . . . . 0.0 109.094 -178.773 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.08 -39.29 69.13 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.98 74.11 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.424 -0.798 . . . . 0.0 110.542 -179.413 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.639 HE22 ' H ' ' B' ' 1' ' ' SER . 74.9 mt-30 -59.95 -40.0 87.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 111.421 -178.446 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.89 -24.96 17.52 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.791 -1.193 . . . . 0.0 112.207 -178.158 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 p -60.2 -40.08 88.82 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.761 -1.212 . . . . 0.0 109.314 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.2 9.1 67.88 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.93 -50.08 75.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.939 -1.33 . . . . 0.0 111.398 -178.347 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.19 13.47 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 -179.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 123.58 -20.66 7.32 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.555 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 26' ' ' LYS . 21.2 m-20 -73.01 62.66 0.63 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.582 -1.54 . . . . 0.0 108.36 179.622 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' GLY . 34.3 ttpt -60.11 -38.14 82.09 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.137 -179.475 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.75 -22.02 54.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.186 -0.946 . . . . 0.0 111.377 -178.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 23' ' ' ASP . 56.0 pttt -148.5 159.67 43.83 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.555 -1.34 . . . . 0.0 110.879 -178.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 mt -107.84 137.52 45.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.736 -0.602 . . . . 0.0 109.785 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 30' ' ' SER . 24.5 mtpp -97.64 154.12 17.77 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.5 ptpp? -49.43 -23.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.267 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 28' ' ' LYS . 95.0 p -76.3 -47.26 24.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.449 179.617 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 94.7 mt-10 -68.82 -35.69 77.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.356 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.7 tp -60.01 -40.27 88.65 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' NZ ' ' OD1' ' A' ' 37' ' ' ASN . 63.7 tttm -60.13 -40.09 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.351 -0.843 . . . . 0.0 109.925 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.95 -40.02 91.69 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.29 -50.08 71.5 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.924 -1.11 . . . . 0.0 109.213 179.139 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 47' ' ' ILE . 95.7 mt -68.53 -45.93 81.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.497 -0.752 . . . . 0.0 111.976 -177.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 47' ' ' ILE . 1.9 m-80 -71.2 -40.02 71.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.85 -1.156 . . . . 0.0 111.773 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 3.6 m120 -100.28 -32.95 10.61 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.181 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -79.99 -15.77 56.57 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 119.929 -1.732 . . . . 0.0 108.941 -178.198 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 44' ' ' LEU . 29.2 mt -116.18 61.06 0.72 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.078 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.2 p -50.11 -57.16 8.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.211 -0.931 . . . . 0.0 110.211 -179.009 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -139.65 0.83 1.86 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.148 -0.97 . . . . 0.0 109.765 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.07 -36.87 75.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.268 -0.895 . . . . 0.0 109.831 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 40' ' ' LEU . 6.1 tp -134.97 160.77 37.25 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.04 112.94 2.08 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.256 -0.977 . . . . 0.0 109.208 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.81 167.2 11.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.863 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 36' ' ' ILE . 48.6 mt -106.5 129.86 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -104.21 -22.25 13.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.381 -0.824 . . . . 0.0 110.121 -178.024 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -117.9 139.97 50.38 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.347 -0.846 . . . . 0.0 109.699 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.733 HE21 ' H ' ' A' ' 51' ' ' GLU . 1.3 pm0 -66.65 -19.93 65.88 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.733 ' H ' HE21 ' A' ' 50' ' ' GLN . 0.6 OUTLIER -60.39 -39.92 89.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 -179.788 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.08 -39.25 79.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.63 -37.42 79.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.354 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 50.3 t0 -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.145 0.974 . . . . 0.0 109.4 -179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.73 -39.97 84.21 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 122.084 0.945 . . . . 0.0 108.477 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.93 -27.46 37.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.34 -39.77 89.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.549 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -57.37 -39.92 77.03 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.234 -1.541 . . . . 0.0 107.759 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -76.96 -45.18 28.55 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.535 -0.728 . . . . 0.0 111.65 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -90.15 -16.09 30.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.724 -1.235 . . . . 0.0 110.956 -178.183 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.7 t0 -81.84 63.29 6.02 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 178.711 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -60.04 -40.01 87.91 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.085 -177.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -82.05 -6.62 59.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 0.0 109.2 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.02 37.6 95.21 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.49 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 36.5 p-10 -106.31 3.35 27.49 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.117 -1.225 . . . . 0.0 109.423 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 5.94 89.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 61.5 mt-10 -140.02 136.43 33.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.584 -0.95 . . . . 0.0 108.49 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.17 48.0 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.882 -1.136 . . . . 0.0 108.733 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.79 161.21 30.27 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.583 -0.698 . . . . 0.0 109.263 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.38 -34.4 47.71 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.088 -1.007 . . . . 0.0 108.423 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -70.03 -37.58 75.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.483 -0.76 . . . . 0.0 109.952 179.148 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.38 -43.39 86.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.445 -1.409 . . . . 0.0 109.084 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.06 -24.56 63.27 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.69 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.454 ' CE ' HD13 ' A' ' 10' ' ' LEU . 8.2 tpt -60.02 -39.09 84.65 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.99 -35.17 76.41 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.243 -0.91 . . . . 0.0 110.31 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -61.26 -39.96 92.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.911 . . . . 0.0 110.19 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.46 -38.42 80.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.614 -0.679 . . . . 0.0 110.033 -178.688 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -40.02 95.42 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.915 -1.114 . . . . 0.0 109.388 -179.177 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.4 mtp -68.85 -40.28 79.47 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.428 -0.795 . . . . 0.0 111.679 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG22 ' NZ ' ' X' ' 111' ' ' LYS . 61.2 t -66.85 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.974 -1.079 . . . . 0.0 109.92 -179.44 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.15 -39.89 87.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -37.5 50.68 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.497 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.99 85.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.9 t -60.05 -38.53 83.06 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.491 -0.755 . . . . 0.0 109.674 -179.77 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.97 -40.0 87.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 109.033 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.54 -37.07 80.02 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 108.885 179.036 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -89.02 -24.29 22.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.564 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.7 t80 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.734 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.639 ' H ' HE22 ' A' ' 16' ' ' GLN . 1.4 m 60.05 32.75 21.16 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.117 -0.99 . . . . 0.0 110.134 179.319 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -75.98 23.74 0.13 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 179.698 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 1' ' ' SER . 54.1 tp -59.93 -26.65 66.12 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.08 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.54 -40.02 92.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.13 -0.981 . . . . 0.0 108.944 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.29 -40.04 81.93 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.893 -0.505 . . . . 0.0 110.793 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.91 74.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.0 111.328 -178.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.43 -39.98 89.24 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.041 -1.037 . . . . 0.0 109.668 -179.233 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.02 -37.19 78.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.89 88.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.783 -0.573 . . . . 0.0 111.484 -178.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.46 HD13 ' CE ' ' B' ' 74' ' ' MET . 41.4 mt -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.72 -1.238 . . . . 0.0 108.22 -178.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.04 -37.4 72.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.796 -0.565 . . . . 0.0 110.432 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.07 -43.51 98.67 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.93 -1.106 . . . . 0.0 111.648 -178.309 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.63 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 109.166 -178.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.31 -39.42 69.91 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.88 73.96 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.371 -0.831 . . . . 0.0 110.476 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.573 HE22 ' H ' ' A' ' 1' ' ' SER . 74.8 mt-30 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.874 -1.141 . . . . 0.0 111.357 -178.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -93.86 -24.9 17.57 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.827 -1.171 . . . . 0.0 112.22 -178.127 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.29 -39.96 88.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.796 -1.19 . . . . 0.0 109.311 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.28 9.13 68.05 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.825 -1.397 . . . . 0.0 111.416 -178.292 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.23 13.46 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.336 -0.853 . . . . 0.0 110.123 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 123.69 -20.72 7.26 Favored Glycine 0 N--CA 1.502 3.048 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.592 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 26' ' ' LYS . 21.1 m-20 -72.96 62.56 0.61 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.516 -1.579 . . . . 0.0 108.371 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 22' ' ' GLY . 33.8 ttpt -60.07 -38.17 82.06 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.408 -0.807 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 -21.83 54.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.202 -0.936 . . . . 0.0 111.46 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.3 pttt -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.582 -1.324 . . . . 0.0 110.903 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.7 mt -107.87 137.5 45.77 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.801 -0.562 . . . . 0.0 109.82 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' B' ' 30' ' ' SER . 24.5 mtpp -97.6 154.15 17.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -49.45 -23.15 1.41 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 28' ' ' LYS . 87.3 p -76.36 -47.19 24.27 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 93.5 mt-10 -68.96 -35.67 77.03 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.361 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -40.31 88.84 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.15 -39.98 88.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 110.005 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.12 -40.02 92.19 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.905 . . . . 0.0 108.952 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.12 -49.96 72.34 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.917 -1.114 . . . . 0.0 109.258 178.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' B' ' 47' ' ' ILE . 92.2 mt -68.83 -45.67 80.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 112.018 -177.717 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 47' ' ' ILE . 1.9 m-80 -71.31 -39.99 71.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.855 -1.153 . . . . 0.0 111.738 -178.563 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' B' ' 38' ' ' ASN . 3.5 m120 -100.46 -32.96 10.55 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -176.138 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -80.01 -15.49 57.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 119.927 -1.733 . . . . 0.0 109.015 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' B' ' 44' ' ' LEU . 31.2 mt -116.23 60.83 0.72 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.046 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 98.4 p -50.04 -57.17 8.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.172 -178.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -139.67 0.74 1.85 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.182 -0.949 . . . . 0.0 109.743 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.93 -36.83 75.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.469 ' HB3' HD13 ' B' ' 40' ' ' LEU . 5.5 tp -135.14 160.57 37.95 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -59.89 113.04 2.09 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.157 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.85 167.18 11.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 109.895 179.279 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.43 ' CD1' HG21 ' B' ' 36' ' ' ILE . 47.2 mt -106.42 129.84 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -104.12 -22.28 13.44 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.456 -0.777 . . . . 0.0 110.225 -178.122 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.78 140.0 50.3 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.447 -0.783 . . . . 0.0 109.749 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.71 HE21 ' N ' ' B' ' 51' ' ' GLU . 1.3 pm0 -66.75 -19.96 65.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.71 ' N ' HE21 ' B' ' 50' ' ' GLN . 0.6 OUTLIER -60.25 -40.04 88.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.829 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.04 -39.31 79.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.737 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.55 -37.39 79.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 50.3 t0 -61.75 -39.59 92.13 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 122.04 0.924 . . . . 0.0 109.335 -179.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.65 -39.99 84.57 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.09 -27.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.537 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.32 -39.75 89.5 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.463 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.36 -39.95 77.06 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 120.301 -1.499 . . . . 0.0 107.751 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -77.07 -44.88 29.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.497 -0.752 . . . . 0.0 111.721 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -90.33 -16.17 29.72 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.688 -1.257 . . . . 0.0 110.915 -178.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -81.79 63.26 5.97 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.722 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.94 -40.0 87.45 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.149 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -82.18 -6.55 59.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.2 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.47 95.0 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.987 -1.102 . . . . 0.0 110.533 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 36.6 p-10 -106.22 3.44 27.81 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -1.223 . . . . 0.0 109.419 179.812 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.03 5.81 89.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.7 mt-10 -139.98 136.41 33.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.969 . . . . 0.0 108.444 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.18 47.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.833 -1.167 . . . . 0.0 108.812 179.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 161.29 30.19 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.577 -0.702 . . . . 0.0 109.232 -179.276 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.48 -34.22 48.23 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.13 -0.981 . . . . 0.0 108.368 -179.325 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -70.08 -37.6 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.52 -0.737 . . . . 0.0 109.978 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 -43.46 85.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.479 -1.388 . . . . 0.0 109.036 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -70.0 -24.57 63.33 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.723 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.46 ' CE ' HD13 ' B' ' 10' ' ' LEU . 8.3 tpt -60.05 -39.05 84.62 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.895 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.16 76.4 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 110.331 -179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.18 -40.0 92.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.267 -0.896 . . . . 0.0 110.165 -179.512 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.418 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -61.51 -38.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.609 -0.682 . . . . 0.0 110.097 -178.684 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.408 -179.325 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.9 mtp -69.12 -40.05 78.55 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.491 -0.756 . . . . 0.0 111.671 -178.412 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.99 -39.01 82.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.934 -1.104 . . . . 0.0 109.882 -179.436 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -37.4 50.62 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -179.495 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.78 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.8 t -59.97 -38.79 83.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.89 -40.05 87.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.119 -0.988 . . . . 0.0 109.065 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 108.885 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.14 -24.25 22.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.522 -0.736 . . . . 0.0 109.55 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.7 t80 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 55.9 mtt-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 121.771 0.796 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.379 -0.825 . . . . 0.0 108.89 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -59.49 -25.99 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.94 -40.05 87.63 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.626 HD21 ' HZ1' ' X' ' 111' ' ' LYS . 2.9 tp -65.38 -37.08 85.91 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.757 0.789 . . . . 0.0 109.437 178.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -51.2 -24.09 3.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.765 -1.209 . . . . 0.0 109.933 -179.366 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 5.7 p90 -39.77 -47.59 2.1 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.185 -0.947 . . . . 0.0 109.74 -178.402 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.626 ' HZ1' HD21 ' X' ' 108' ' ' LEU . 33.8 pttt -69.97 -33.01 71.53 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.237 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.532 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.4 m -60.03 -37.59 80.23 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.612 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 . 179.962 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' Y' ' 104' ' ' ARG . 60.2 mtt-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.756 0.789 . . . . 0.0 109.15 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -60.18 -39.94 88.23 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.383 -0.823 . . . . 0.0 108.889 179.431 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -59.52 -25.93 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 178.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.626 HD21 ' NZ ' ' Y' ' 111' ' ' LYS . 2.7 tp -65.47 -36.82 85.03 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 121.85 0.833 . . . . 0.0 109.504 178.783 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -51.51 -23.93 4.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.702 -1.249 . . . . 0.0 109.909 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 5.8 p90 -39.87 -47.35 2.15 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.217 -0.927 . . . . 0.0 109.767 -178.484 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.626 ' NZ ' HD21 ' Y' ' 108' ' ' LEU . 32.0 pttt -70.08 -33.2 71.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.53 ' N ' ' O ' ' Y' ' 109' ' ' MET . 49.1 m -60.06 -36.95 78.45 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.578 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.48 -0.763 . . . . 0.0 . 179.907 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.3 t 57.86 29.13 17.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.303 -0.873 . . . . 0.0 109.675 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 2' ' ' GLU . 11.2 pt-20 -76.13 12.19 1.24 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.421 -0.799 . . . . 0.0 108.889 179.276 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -60.03 -33.68 72.34 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.592 -0.693 . . . . 0.0 110.498 -178.415 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.11 -40.04 88.29 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.76 -1.212 . . . . 0.0 110.562 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -68.01 -39.63 83.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.975 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.05 89.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 0.0 111.172 -178.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.6 mtt -65.02 -39.95 94.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.84 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 121.377 0.608 . . . . 0.0 110.334 -179.061 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -40.04 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.418 -0.801 . . . . 0.0 111.682 -177.714 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.918 -1.114 . . . . 0.0 108.398 -178.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.56 -39.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.697 -0.627 . . . . 0.0 110.375 179.228 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.706 -1.246 . . . . 0.0 111.259 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -34.45 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.019 -1.051 . . . . 0.0 110.26 -179.154 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' A' ' 18' ' ' SER . 87.4 t80 -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.484 -1.385 . . . . 0.0 107.997 -179.548 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -77.99 -22.1 49.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 179.193 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -53.09 -45.88 68.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 110.5 -178.148 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 27' ' ' LEU . 16.5 p90 -116.19 -25.15 7.69 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.598 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 24.1 m -62.68 -47.12 85.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.649 -1.282 . . . . 0.0 110.844 -178.85 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.16 18.58 3.3 Favored Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.052 -1.071 . . . . 0.0 110.922 -178.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -60.11 -42.62 95.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.81 -1.406 . . . . 0.0 110.638 -179.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -112.56 -38.75 4.54 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.185 -0.947 . . . . 0.0 109.607 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 156.17 -6.55 0.23 Allowed Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -71.82 52.33 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.464 -1.609 . . . . 0.0 108.106 179.709 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' GLY . 32.9 ttpt -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.21 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 8.3 p80 -88.14 -4.97 58.68 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 111.057 -178.808 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 24.7 pttm -149.22 150.27 32.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.883 -1.135 . . . . 0.0 108.92 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 17' ' ' TYR . 7.0 tp -113.55 128.38 56.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 -179.012 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.9 mttt -95.06 149.79 20.88 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.003 -1.06 . . . . 0.0 109.051 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -48.51 -21.5 0.57 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.476 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.2 t -70.93 -53.7 14.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.595 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.7 -32.41 74.07 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.516 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.03 -40.14 88.31 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' A' ' 47' ' ' ILE . 43.6 tptt -62.55 -40.07 95.64 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.585 -0.697 . . . . 0.0 110.123 179.033 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.47 -39.93 95.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 110.472 -178.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 17' ' ' TYR . 1.3 tt -68.94 -44.84 72.22 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.618 -1.301 . . . . 0.0 109.097 179.641 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG21 ' CD1' ' A' ' 47' ' ' ILE . 87.8 mt -71.9 -41.07 69.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 112.369 -177.121 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.18 -31.23 27.23 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.3 -1.5 . . . . 0.0 111.516 -178.174 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.92 -39.29 8.24 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.434 -0.791 . . . . 0.0 112.97 -177.545 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -90.04 -22.32 21.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.453 -1.404 . . . . 0.0 110.387 -177.794 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 mt -114.5 47.5 1.23 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.4 -0.812 . . . . 0.0 108.948 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -64.73 -41.24 96.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.188 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.65 -13.05 2.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.127 -0.983 . . . . 0.0 110.351 -178.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -70.04 -38.09 75.75 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.035 -1.04 . . . . 0.0 109.891 -179.131 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.7 tp -130.39 -144.6 0.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.345 -0.847 . . . . 0.0 109.609 -179.746 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -93.08 107.56 19.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.554 -0.716 . . . . 0.0 109.29 -179.883 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -67.22 133.63 50.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 179.036 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CD1' HG21 ' A' ' 36' ' ' ILE . 66.4 mt -89.44 139.88 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.75 -1.219 . . . . 0.0 108.835 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.31 -24.56 10.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.815 -0.553 . . . . 0.0 110.773 -177.78 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -119.23 145.52 45.99 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.427 -0.796 . . . . 0.0 110.211 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.99 -21.52 64.14 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -63.31 -39.79 95.54 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.38 -0.825 . . . . 0.0 110.077 -179.703 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -61.3 -40.0 84.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.47 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 61.4 t0 -61.6 -39.46 91.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.931 -179.422 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 122.01 0.91 . . . . 0.0 108.856 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.22 -33.15 61.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.402 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.9 mmm -70.99 -28.89 64.76 Favored 'General case' 0 C--O 1.198 -1.65 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.719 179.613 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.55 -39.8 81.23 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -74.71 -44.61 49.17 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.213 178.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.7 mt -89.25 -14.91 34.82 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.893 -1.129 . . . . 0.0 111.022 -178.125 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.8 t0 -81.19 62.61 5.2 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 178.768 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 77.5 mt-10 -59.99 -39.72 86.71 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.623 -178.066 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -80.95 -7.35 59.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 36.93 92.14 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.84 178.595 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 40.1 p-10 -107.36 2.28 24.33 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.038 -1.272 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.89 1.59 89.76 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.39 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.8 mt-10 -134.21 136.46 43.7 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.91 124.78 45.6 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.85 -1.156 . . . . 0.0 108.649 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -63.3 160.48 15.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.179 -0.951 . . . . 0.0 109.183 -179.072 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.8 t80 -48.14 -38.64 18.38 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.144 -0.972 . . . . 0.0 108.79 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.96 -39.6 75.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.705 -0.622 . . . . 0.0 110.219 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.1 mt-10 -62.81 -46.09 89.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 109.544 -179.405 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.47 -25.77 63.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 108.501 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.7 tpt -59.98 -39.17 84.77 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.049 -179.362 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.919 -1.113 . . . . 0.0 109.715 179.775 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.443 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -63.97 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.739 -0.6 . . . . 0.0 109.701 -179.224 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -66.14 -42.6 88.87 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.32 -178.521 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -69.95 -40.32 75.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.373 -1.454 . . . . 0.0 111.387 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 76' ' ' PHE . 41.1 t -64.53 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.206 -178.624 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.93 -40.09 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.542 HG23 ' CE2' ' B' ' 70' ' ' PHE . 0.7 OUTLIER -55.38 -35.77 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.344 -0.847 . . . . 0.0 109.073 178.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.99 -36.25 76.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.0 109.669 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.88 -1.137 . . . . 0.0 108.992 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.16 -40.11 96.6 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.288 -0.883 . . . . 0.0 109.168 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -77.46 -45.83 24.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.022 -179.869 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.3 m-30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.355 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 99.8 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.293 0.568 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.431 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.2 t 58.04 28.71 16.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.24 -0.913 . . . . 0.0 109.733 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' B' ' 2' ' ' GLU . 11.1 pt-20 -75.77 12.12 1.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 108.924 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -60.01 -33.6 72.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.538 -0.726 . . . . 0.0 110.503 -178.319 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.03 -40.07 88.07 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.22 . . . . 0.0 110.574 -179.551 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.2 -39.61 82.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.248 -0.908 . . . . 0.0 109.92 -179.13 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.94 89.36 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.357 -0.839 . . . . 0.0 111.148 -178.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -65.06 -39.93 93.96 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.03 -1.044 . . . . 0.0 110.211 -179.07 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.91 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-O 121.411 0.624 . . . . 0.0 110.396 -179.056 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.98 75.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.421 -0.8 . . . . 0.0 111.608 -177.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -39.99 87.55 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.864 -1.147 . . . . 0.0 108.326 -179.017 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.47 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.309 179.212 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.32 -40.03 96.19 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.719 -1.238 . . . . 0.0 111.259 -178.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -34.57 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.974 -1.079 . . . . 0.0 110.272 -179.084 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.95 -39.97 87.41 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.539 -1.35 . . . . 0.0 107.992 -179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -78.17 -22.12 49.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.43 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -53.08 -45.71 68.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.148 -0.97 . . . . 0.0 110.488 -178.182 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.452 ' CE2' HD11 ' B' ' 27' ' ' LEU . 16.1 p90 -116.31 -25.11 7.65 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 121.219 -0.926 . . . . 0.0 111.588 -179.027 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.0 m -62.73 -47.18 84.69 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.688 -1.257 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.02 18.55 3.21 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 120.066 -1.064 . . . . 0.0 110.948 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -60.11 -42.46 94.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.815 -1.403 . . . . 0.0 110.725 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -112.71 -39.22 4.36 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.078 -1.014 . . . . 0.0 109.537 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 156.7 -6.57 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.759 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -71.67 51.95 0.2 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.509 -1.583 . . . . 0.0 108.198 179.746 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 22' ' ' GLY . 32.6 ttpt -66.54 -40.01 88.86 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 110.522 -179.275 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.565 ' H ' ' CD2' ' B' ' 25' ' ' HIS . 8.4 p80 -88.32 -4.74 58.63 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.886 -1.133 . . . . 0.0 111.073 -178.771 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 23' ' ' ASP . 24.6 pttm -149.36 150.2 32.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.838 -1.164 . . . . 0.0 108.869 179.137 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' B' ' 17' ' ' TYR . 7.1 tp -113.52 128.52 56.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.293 -0.879 . . . . 0.0 109.134 -179.063 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' C ' ' N ' ' B' ' 30' ' ' SER . 96.2 mttt -95.1 149.47 21.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.068 179.799 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -48.36 -21.43 0.53 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.477 ' N ' ' C ' ' B' ' 28' ' ' LYS . 40.6 t -70.97 -53.85 13.41 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.586 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -32.65 74.36 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.04 -39.98 87.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.578 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.512 ' HZ3' HG22 ' B' ' 47' ' ' ILE . 42.9 tptt -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.577 -0.702 . . . . 0.0 110.087 178.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 110.471 -178.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.45 HD12 ' CE1' ' B' ' 17' ' ' TYR . 1.3 tt -68.85 -45.12 71.89 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.483 -1.385 . . . . 0.0 109.112 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' B' ' 47' ' ' ILE . 86.7 mt -71.69 -40.89 70.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 112.419 -177.229 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.38 -31.06 26.92 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.201 -1.562 . . . . 0.0 111.531 -178.186 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -39.23 8.23 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.454 -0.778 . . . . 0.0 112.98 -177.563 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.16 -22.21 21.83 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.38 -1.45 . . . . 0.0 110.38 -177.782 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 mt -114.6 47.73 1.21 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.407 -0.808 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -65.24 -40.67 94.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 111.021 -179.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.94 -13.38 2.49 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.189 -0.944 . . . . 0.0 110.343 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -69.79 -38.07 76.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.024 -1.048 . . . . 0.0 109.843 -179.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.446 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.7 tp -130.41 -144.63 0.27 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.356 -0.84 . . . . 0.0 109.646 -179.704 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -93.18 107.52 19.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.489 -0.757 . . . . 0.0 109.298 -179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.26 133.67 50.14 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.12 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' B' ' 36' ' ' ILE . 64.7 mt -89.36 139.71 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.781 -1.2 . . . . 0.0 108.835 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.09 -24.8 10.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.868 -0.52 . . . . 0.0 110.718 -177.746 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.456 -0.778 . . . . 0.0 110.33 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.56 -21.94 64.51 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.572 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.412 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -62.96 -39.95 96.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.411 -0.806 . . . . 0.0 110.076 -179.706 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.92 -40.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 36.5 t -61.37 -39.96 84.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.076 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 61.5 t0 -61.59 -39.54 91.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.507 -0.745 . . . . 0.0 109.89 -179.507 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.25 -40.05 89.91 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 122.039 0.923 . . . . 0.0 108.829 -179.261 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.29 -33.25 61.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.605 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.1 mmm -70.65 -29.03 65.27 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.692 179.527 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.7 -39.61 81.25 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.6 m -75.0 -44.42 48.25 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.116 178.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 41.0 mt -89.23 -14.98 34.72 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.937 -1.102 . . . . 0.0 111.023 -178.157 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -81.18 62.6 5.19 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 77.2 mt-10 -60.05 -39.85 87.37 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.612 -178.059 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -80.74 -7.48 59.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.281 179.301 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.89 91.96 Favored Glycine 0 N--CA 1.498 2.797 0 C-N-CA 119.965 -1.112 . . . . 0.0 110.835 178.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 40.2 p-10 -107.38 2.5 24.44 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.05 -1.265 . . . . 0.0 110.202 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.504 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.47 1.98 89.14 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.469 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.2 mt-10 -134.56 136.19 42.83 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.65 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 124.75 45.24 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.858 -1.151 . . . . 0.0 108.678 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 51.5 t0 -63.36 160.3 16.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.246 -0.909 . . . . 0.0 109.231 -179.104 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 t80 -48.03 -38.52 17.39 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.167 -0.958 . . . . 0.0 108.815 -179.89 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -70.0 -39.82 75.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.594 -0.691 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.1 mt-10 -62.56 -46.22 89.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.744 -1.223 . . . . 0.0 109.619 -179.473 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.39 -25.82 63.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.205 -0.934 . . . . 0.0 108.532 178.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.4 tpt -59.99 -39.22 84.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -69.75 -30.77 68.44 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.118 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' B' ' 80' ' ' VAL . 86.4 t80 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.921 -1.112 . . . . 0.0 109.81 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -64.02 -37.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 CA-C-O 121.357 0.599 . . . . 0.0 109.645 -179.1 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 0.8 OUTLIER -65.98 -42.59 89.64 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.312 -178.593 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.367 -1.458 . . . . 0.0 111.431 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 76' ' ' PHE . 40.7 t -64.32 -36.18 76.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 121.148 -0.97 . . . . 0.0 109.299 -178.707 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.535 HG23 ' CE2' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.27 -35.74 65.35 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 109.047 178.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.94 -36.44 77.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 109.603 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.96 -40.23 88.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.81 -1.182 . . . . 0.0 108.871 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.91 -40.29 97.13 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.231 -0.918 . . . . 0.0 109.118 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.29 -46.0 24.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 110.021 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' B' ' 88' ' ' PHE . 1.3 m-30 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.4 p-80 -59.33 -33.92 71.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.775 -1.203 . . . . 0.0 108.76 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.592 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 52.6 tttm -59.78 -33.32 71.54 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.375 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttp -56.07 -38.62 70.91 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -73.55 -24.79 60.16 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.423 0.63 . . . . 0.0 110.472 178.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.73 -24.65 64.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.153 -1.592 . . . . 0.0 109.682 -179.77 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.611 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -48.74 -31.36 6.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.472 -1.392 . . . . 0.0 109.415 -179.66 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.611 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -69.62 -40.03 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.608 -1.308 . . . . 0.0 108.138 176.778 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.431 ' N ' ' O ' ' X' ' 109' ' ' MET . 63.4 p -60.17 -33.43 72.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.786 -179.655 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' Y' ' 104' ' ' ARG . 52.8 mtt-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.589 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.4 p-80 -59.5 -33.78 71.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.774 -1.204 . . . . 0.0 108.769 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.589 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.7 tttm -59.82 -33.15 71.37 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.347 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 62.2 tttp -56.31 -38.59 71.49 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.09 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.1 tp -73.5 -24.86 60.23 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.442 0.639 . . . . 0.0 110.515 178.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.84 -24.65 64.38 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.195 -1.566 . . . . 0.0 109.667 -179.619 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -48.77 -31.09 6.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.489 -1.382 . . . . 0.0 109.399 -179.594 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.59 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.546 -1.346 . . . . 0.0 108.218 176.759 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.427 ' N ' ' O ' ' Y' ' 109' ' ' MET . 61.9 p -60.01 -32.79 71.2 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.861 -179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.402 -0.811 . . . . 0.0 . 179.725 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m 56.8 26.85 11.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -77.61 -11.89 59.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.605 -0.684 . . . . 0.0 110.494 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 3' ' ' LEU . 1.6 pt? -47.27 -18.37 0.1 Allowed 'General case' 0 C--O 1.198 -1.606 0 O-C-N 120.788 -1.195 . . . . 0.0 110.289 -179.014 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 2' ' ' GLU . 99.0 mt-10 -64.55 -39.68 94.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.34 -1.475 . . . . 0.0 109.278 -179.626 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -77.33 -36.91 53.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.98 79.54 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.571 -0.706 . . . . 0.0 110.479 -178.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.506 -0.746 . . . . 0.0 110.114 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.3 -38.78 83.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 121.71 0.767 . . . . 0.0 109.421 -179.554 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -67.69 -36.95 81.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.688 -0.632 . . . . 0.0 111.621 -178.378 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.49 -40.09 85.88 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -178.394 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -68.17 -39.99 82.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.206 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.56 -50.23 73.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.022 -1.049 . . . . 0.0 111.553 -178.487 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -39.75 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 110.018 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 27' ' ' LEU . 78.9 t80 -55.21 -40.44 70.8 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.416 -0.803 . . . . 0.0 109.296 -179.446 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.61 -21.12 48.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.397 -0.814 . . . . 0.0 111.213 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -58.18 -42.44 86.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.776 -1.203 . . . . 0.0 111.255 -177.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 15.4 p90 -114.65 -25.46 8.28 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.069 -1.019 . . . . 0.0 111.367 -178.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.472 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.6 m -60.88 -41.35 95.83 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.578 -1.327 . . . . 0.0 110.084 -179.284 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.77 85.92 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.377 -1.392 . . . . 0.0 110.173 -179.33 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -61.06 -42.94 99.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.022 -1.281 . . . . 0.0 109.517 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -79.63 -78.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 0.0 110.075 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.42 -37.72 0.03 OUTLIER Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.181 -1.485 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -81.83 107.58 14.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.694 -1.474 . . . . 0.0 109.475 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -85.98 -26.49 25.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.497 -0.752 . . . . 0.0 109.566 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -100.02 -2.63 33.96 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.236 -0.915 . . . . 0.0 110.604 -178.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -139.93 140.1 36.3 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.033 -1.042 . . . . 0.0 109.011 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 14' ' ' PHE . 9.9 tp -106.27 134.36 49.52 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.093 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 30' ' ' SER . 90.8 mttt -101.17 152.44 20.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 108.637 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -49.92 -21.92 1.35 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.644 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 28' ' ' LYS . 78.2 p -76.64 -47.16 23.08 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.216 -0.593 . . . . 0.0 109.794 179.695 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' OE2' ' O ' ' A' ' 18' ' ' SER . 49.4 mt-10 -67.93 -36.12 79.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.866 -1.146 . . . . 0.0 108.267 179.055 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.76 -41.25 90.6 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.446 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.07 -39.83 95.88 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.573 -0.704 . . . . 0.0 109.534 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.17 -39.64 87.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 110.48 -178.628 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -69.71 -42.84 73.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.523 -1.361 . . . . 0.0 108.93 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 47' ' ' ILE . 93.7 mt -69.93 -43.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.414 -0.804 . . . . 0.0 111.725 -177.741 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 2.0 m-20 -81.29 -34.75 31.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.466 -1.396 . . . . 0.0 112.537 -178.059 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.475 ' N ' HD22 ' A' ' 38' ' ' ASN . 2.8 m120 -100.18 -36.83 9.17 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.017 -1.052 . . . . 0.0 113.276 -176.817 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.46 -15.3 43.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.475 -1.391 . . . . 0.0 110.668 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 44' ' ' LEU . 30.3 mt -111.91 54.83 0.69 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -57.1 -42.31 80.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.052 -1.03 . . . . 0.0 109.604 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -138.1 -11.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.025 -1.047 . . . . 0.0 110.653 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.06 -21.64 63.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.733 -1.23 . . . . 0.0 110.058 -179.157 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 40' ' ' LEU . 5.0 tp -151.9 167.28 28.84 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.818 -1.176 . . . . 0.0 107.997 178.503 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 13.9 pt-20 -69.43 118.0 11.75 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.791 -1.193 . . . . 0.0 109.083 179.872 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 37' ' ' ASN . 33.3 mt-10 -65.89 154.38 39.41 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 60.7 mt -99.3 139.19 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.254 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -110.17 -24.42 10.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.192 -0.943 . . . . 0.0 109.916 -178.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 41.8 mt-10 -113.14 140.61 47.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.51 -0.744 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -19.51 63.87 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.715 179.182 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.7 pt-20 -60.58 -40.42 91.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.152 -0.968 . . . . 0.0 109.662 -179.104 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 57.3 t -60.27 -39.16 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.8 -38.5 82.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.705 -0.622 . . . . 0.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.87 -38.56 89.13 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.499 -0.751 . . . . 0.0 109.84 -179.124 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -67.25 -39.9 86.18 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -66.76 -32.6 58.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 179.044 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.6 mmm -70.02 -27.37 64.62 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.836 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.79 -39.87 78.53 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -76.31 -42.5 44.95 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.124 178.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -90.11 -14.81 32.93 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.782 -1.199 . . . . 0.0 111.052 -178.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.63 ' N ' ' O ' ' A' ' 57' ' ' MET . 64.0 t0 -81.59 59.78 4.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.63 -39.1 83.2 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.106 -178.047 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 65' ' ' ASP . 58.7 p30 -80.54 -5.99 57.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.925 -1.109 . . . . 0.0 108.833 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 64.27 35.98 92.64 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.86 178.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.7 p-10 -107.02 0.62 23.77 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.009 -1.289 . . . . 0.0 110.062 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.48 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.71 6.13 89.56 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 -179.244 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 70.2 mt-10 -139.41 136.52 34.78 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.674 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.18 121.26 41.16 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.728 -1.232 . . . . 0.0 107.769 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.4 t0 -59.92 163.69 4.43 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.271 -0.893 . . . . 0.0 108.684 -178.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.4 t80 -48.26 -40.01 23.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.665 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.9 -46.43 89.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.689 -0.632 . . . . 0.0 110.448 178.678 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.64 -40.03 95.72 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 110.967 -177.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -69.83 -32.9 71.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.65 -1.281 . . . . 0.0 109.163 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.485 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 72.9 mmm -60.14 -38.38 82.92 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.331 0.586 . . . . 0.0 110.36 -179.09 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.74 78.12 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.781 -1.199 . . . . 0.0 110.154 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 80' ' ' VAL . 67.5 t80 -60.32 -26.02 66.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.392 -0.817 . . . . 0.0 110.119 179.857 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.432 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.6 t -77.09 -32.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.081 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 -178.776 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 p -67.67 -41.01 84.4 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ptm -73.49 -42.13 62.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 110.948 -179.458 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' PHE . 88.5 t -60.09 -37.68 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.675 -1.266 . . . . 0.0 109.428 -179.491 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' CYS . 99.0 m -59.39 -39.57 83.81 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -48.58 -40.27 26.7 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.11 -34.46 78.47 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.1 t -59.99 -38.09 81.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 179.462 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -60.0 -40.35 88.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.064 -1.022 . . . . 0.0 108.633 -179.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.03 -39.67 86.7 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.29 -24.4 29.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.651 -0.656 . . . . 0.0 110.228 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' CYS . 57.1 t80 . . . . . 0 C--N 1.303 -1.449 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m 57.8 27.07 13.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 0.0 108.839 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.4 mt-10 -77.09 -12.96 60.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.755 -0.59 . . . . 0.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.629 HD23 ' N ' ' B' ' 3' ' ' LEU . 1.6 pt? -46.88 -18.27 0.07 Allowed 'General case' 0 C--O 1.199 -1.58 0 O-C-N 120.771 -1.206 . . . . 0.0 110.418 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 2' ' ' GLU . 98.9 mt-10 -65.04 -39.53 93.47 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.46 -1.4 . . . . 0.0 109.336 -179.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -77.12 -36.82 55.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.36 -46.9 81.4 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.596 -0.69 . . . . 0.0 110.744 -178.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.8 mtt -60.85 -40.8 94.24 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.382 -0.824 . . . . 0.0 109.914 -179.349 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.7 -38.59 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-O 121.924 0.868 . . . . 0.0 109.492 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.77 80.18 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.727 -0.608 . . . . 0.0 111.768 -178.227 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.0 -40.09 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.621 -178.386 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.54 -40.15 83.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.302 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.1 -50.12 74.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.04 . . . . 0.0 111.092 -178.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -40.0 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.55 -0.719 . . . . 0.0 110.038 -179.097 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' B' ' 27' ' ' LEU . 73.1 t80 -55.0 -40.07 69.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.262 -179.409 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -78.91 -20.87 48.33 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.304 -0.872 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -58.59 -42.42 88.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.652 -1.28 . . . . 0.0 111.319 -177.482 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.2 p90 -114.7 -25.06 8.43 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 121.061 -1.024 . . . . 0.0 111.411 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 50.6 m -61.37 -41.32 96.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.655 -1.278 . . . . 0.0 110.173 -179.188 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.71 -9.91 86.15 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 119.231 -1.462 . . . . 0.0 109.973 -179.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.16 -42.42 94.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -1.225 . . . . 0.0 109.321 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -80.28 -78.27 0.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.339 -178.7 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.74 -37.24 0.03 OUTLIER Glycine 0 N--CA 1.487 2.087 0 C-N-CA 119.268 -1.444 . . . . 0.0 110.524 -179.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.99 106.65 14.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.662 -1.493 . . . . 0.0 109.602 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -84.87 -26.51 27.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.66 -0.65 . . . . 0.0 109.77 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -100.1 -2.75 33.42 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 -178.894 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -140.22 140.1 35.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.078 -1.014 . . . . 0.0 109.313 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' B' ' 14' ' ' PHE . 10.0 tp -105.85 135.13 47.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' B' ' 30' ' ' SER . 86.2 mttt -102.02 152.4 21.01 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.64 -22.84 1.44 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' C ' ' B' ' 28' ' ' LYS . 81.3 p -76.41 -46.15 28.45 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.938 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 18' ' ' SER . 50.1 mt-10 -68.49 -36.88 79.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.016 -1.053 . . . . 0.0 108.3 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.28 -41.75 89.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.264 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.49 -39.03 92.18 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.437 -0.789 . . . . 0.0 109.449 178.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.53 -39.36 87.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.303 -0.873 . . . . 0.0 110.311 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -69.75 -43.49 72.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.682 -1.261 . . . . 0.0 109.014 179.848 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.469 HG21 HD12 ' B' ' 47' ' ' ILE . 91.6 mt -69.5 -44.03 80.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 O-C-N 121.437 -0.789 . . . . 0.0 111.741 -177.439 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 2.0 m-20 -80.89 -34.27 33.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.811 -1.181 . . . . 0.0 112.64 -177.866 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.518 ' N ' HD22 ' B' ' 38' ' ' ASN . 2.5 m120 -100.48 -38.34 8.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.077 -1.015 . . . . 0.0 113.151 -176.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -84.19 -15.25 47.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.5 -1.375 . . . . 0.0 110.887 -177.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 44' ' ' LEU . 26.1 mt -111.63 54.69 0.68 Allowed 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.075 -1.016 . . . . 0.0 109.627 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -57.17 -42.22 80.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.034 -1.041 . . . . 0.0 109.501 -179.641 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -137.71 -11.46 1.56 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.986 -1.071 . . . . 0.0 110.58 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.08 -22.39 63.05 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.904 -1.123 . . . . 0.0 109.936 -179.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.42 ' HB3' HD13 ' B' ' 40' ' ' LEU . 4.9 tp -151.93 166.47 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.998 -1.064 . . . . 0.0 108.32 178.899 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 15.4 pt-20 -68.84 118.4 11.75 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.678 -1.264 . . . . 0.0 109.124 179.779 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 33.0 mt-10 -65.96 153.75 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.239 -0.913 . . . . 0.0 109.637 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.512 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 60.8 mt -98.88 138.92 21.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.253 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -110.15 -23.02 11.49 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.142 -0.974 . . . . 0.0 110.151 -178.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 41.8 mt-10 -114.68 141.01 48.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.495 -0.753 . . . . 0.0 109.072 179.89 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -19.4 63.78 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.493 -0.883 . . . . 0.0 108.924 179.261 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 9.1 pt-20 -60.42 -40.55 91.43 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.737 -179.212 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 66.4 t -59.91 -39.86 81.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.606 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.45 -39.14 84.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.7 -0.625 . . . . 0.0 110.181 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -65.11 -38.81 91.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.596 0.712 . . . . 0.0 109.911 -179.171 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.27 -40.11 86.13 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.73 -32.54 58.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.024 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.651 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.0 mmm -69.97 -27.71 64.94 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.497 -0.881 . . . . 0.0 108.729 179.111 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.53 -39.77 77.32 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 178.176 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.6 m -75.95 -43.46 44.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.816 -0.552 . . . . 0.0 110.761 178.724 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.27 -14.85 34.91 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.055 -1.028 . . . . 0.0 111.202 -177.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -82.06 60.06 4.69 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 179.319 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.54 -39.47 84.05 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.993 -177.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -80.65 -6.71 58.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.804 -1.185 . . . . 0.0 109.015 179.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.93 36.62 93.29 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.976 178.812 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.11 1.49 24.22 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.098 -1.237 . . . . 0.0 109.914 179.822 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.13 6.5 89.15 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 68.7 mt-10 -139.73 136.67 34.42 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.769 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.76 121.81 41.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.724 -1.235 . . . . 0.0 108.055 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 43.2 t0 -59.63 164.53 3.52 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.172 -0.955 . . . . 0.0 108.797 -179.443 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.4 t80 -49.32 -40.17 34.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.82 -46.74 88.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.472 0.653 . . . . 0.0 110.457 178.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.85 -40.8 96.59 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.049 -1.032 . . . . 0.0 110.98 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -69.45 -32.6 71.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.793 -1.192 . . . . 0.0 109.078 179.286 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.5 mmm -60.4 -39.37 87.08 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.596 -0.69 . . . . 0.0 110.361 -179.231 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.409 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.0 -35.43 80.56 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.67 -1.269 . . . . 0.0 110.047 -178.845 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.16 -25.43 65.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 -179.655 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -77.57 -33.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.091 -1.006 . . . . 0.0 109.465 -178.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 10.7 p -66.97 -40.77 87.53 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.805 -178.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.21 -41.64 61.06 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.857 -1.152 . . . . 0.0 111.048 -179.387 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.3 -37.6 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.562 -1.336 . . . . 0.0 109.267 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' ' N ' ' B' ' 84' ' ' CYS . 97.0 m -59.44 -39.87 84.95 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -48.37 -39.69 23.11 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.609 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.06 79.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' B' ' 88' ' ' PHE . 8.7 t -59.92 -38.48 82.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.431 -0.793 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.99 -39.98 87.57 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.954 -1.091 . . . . 0.0 108.687 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.34 -39.03 85.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -84.77 -24.53 28.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.815 . . . . 0.0 110.017 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.8 t80 . . . . . 0 C--N 1.301 -1.533 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.826 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.564 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 8.0 p-80 -57.5 -35.8 70.7 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.556 -1.34 . . . . 0.0 108.602 179.683 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.4 tttt -59.59 -34.52 72.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.603 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -55.4 -40.06 70.95 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.781 -1.199 . . . . 0.0 107.909 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.593 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 8.1 tp -73.06 -25.21 60.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.641 -0.662 . . . . 0.0 110.39 179.632 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.24 -24.37 54.26 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.512 -1.367 . . . . 0.0 109.382 -179.485 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.7 p90 -41.44 -39.7 1.57 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.389 -0.819 . . . . 0.0 109.586 -179.085 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.593 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 14.6 mtmt -71.46 -43.47 66.58 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.856 -1.153 . . . . 0.0 108.12 176.736 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 0.7 OUTLIER -66.31 -27.2 67.73 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.825 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' X' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.406 0 O-C-N 121.602 -0.686 . . . . 0.0 . 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.1 p-80 -57.03 -36.76 70.84 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.681 -1.262 . . . . 0.0 108.743 179.489 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.596 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.5 tttt -58.77 -34.67 71.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.534 -0.729 . . . . 0.0 109.063 179.493 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -55.51 -39.82 71.0 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.622 -1.299 . . . . 0.0 108.165 179.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.597 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 8.9 tp -73.31 -25.6 60.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.675 -0.641 . . . . 0.0 110.331 179.46 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.54 -24.44 46.84 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.633 -1.292 . . . . 0.0 109.361 -179.403 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.7 p90 -41.35 -39.03 1.33 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.547 -0.721 . . . . 0.0 109.746 -179.013 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.597 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 15.1 mtmt -72.13 -44.08 63.7 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.498 ' N ' ' O ' ' Y' ' 109' ' ' MET . 0.7 OUTLIER -65.28 -27.68 68.8 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.779 -179.085 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' Y' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.666 -0.647 . . . . 0.0 . -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.244 0.545 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 p 49.99 20.74 0.62 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.245 -0.91 . . . . 0.0 109.679 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -76.49 8.36 3.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 109.311 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 tt -59.97 -36.54 77.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.721 -0.612 . . . . 0.0 111.771 -178.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.01 -39.92 87.49 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.816 -1.177 . . . . 0.0 109.605 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -69.54 -33.32 72.62 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.376 -0.828 . . . . 0.0 109.172 -179.062 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.03 79.81 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.767 -179.345 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.9 mtt -64.96 -40.05 94.42 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.15 -0.969 . . . . 0.0 109.205 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.99 -39.91 86.99 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.66 0.743 . . . . 0.0 109.206 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.47 93.6 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.837 -0.539 . . . . 0.0 111.121 -179.043 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 77' ' ' VAL . 90.4 mt -60.08 -39.85 87.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.911 -1.118 . . . . 0.0 108.861 -178.611 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.87 -37.82 79.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.593 -0.692 . . . . 0.0 110.415 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.02 -48.21 82.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.699 -1.251 . . . . 0.0 110.656 -179.059 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -39.95 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.751 -178.791 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.08 -40.01 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.36 -0.838 . . . . 0.0 109.614 -179.316 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.98 -39.61 86.26 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.168 -0.957 . . . . 0.0 111.007 -178.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.888 -1.132 . . . . 0.0 111.353 -178.183 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 47.0 m-85 -89.32 -28.68 19.68 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.695 -1.253 . . . . 0.0 112.404 -178.286 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -63.04 -39.98 96.35 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.792 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.1 -7.22 85.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.54 -43.37 98.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.071 -1.252 . . . . 0.0 110.866 -178.763 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -100.8 -5.75 25.84 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.077 -1.014 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.92 -17.2 58.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.155 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' LYS . 73.0 m-20 -82.91 68.86 9.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.786 -1.42 . . . . 0.0 108.367 179.391 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.808 -0.558 . . . . 0.0 110.877 -179.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -77.34 -19.99 55.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.208 -0.932 . . . . 0.0 111.6 -177.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . 15.0 ptpt -148.23 159.1 44.32 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.561 -1.337 . . . . 0.0 111.307 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -109.83 136.73 48.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 40.2 mtmt -106.86 156.54 18.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.299 -0.875 . . . . 0.0 108.739 179.214 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.578 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 14.8 ttmm -44.21 -27.32 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -0.874 . . . . 0.0 108.753 179.371 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' LYS . 67.3 m -77.36 -48.48 17.21 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.296 0.57 . . . . 0.0 109.817 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.3 tt0 -70.03 -29.96 67.14 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.42 -39.94 92.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.567 -0.708 . . . . 0.0 109.531 178.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.126 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 4.2 tp10 -70.81 -37.06 73.24 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 109.614 -178.897 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.711 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.7 tm? -60.43 -50.01 75.28 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.701 -1.249 . . . . 0.0 108.682 179.372 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 36' ' ' ILE . 51.6 mt -74.52 -48.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 -178.282 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.7 t-20 -66.44 -40.45 89.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.151 -0.968 . . . . 0.0 112.984 -176.319 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE2' ' A' ' 34' ' ' GLU . 4.5 m120 -98.07 -34.67 10.69 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.122 -0.986 . . . . 0.0 113.649 -176.659 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.01 -10.86 59.8 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.059 -1.651 . . . . 0.0 109.317 -178.253 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mt -132.11 58.98 1.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.749 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' ND1' ' A' ' 42' ' ' HIS . 54.3 p -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 110.503 -178.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.534 ' ND1' ' OG ' ' A' ' 41' ' ' SER . 17.5 p-80 -134.88 -16.73 1.95 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.127 -0.983 . . . . 0.0 110.656 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.38 -39.33 94.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.746 -1.221 . . . . 0.0 109.223 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.673 HD23 ' H ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -126.75 157.78 38.23 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.817 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.673 ' H ' HD23 ' A' ' 44' ' ' LEU . 7.7 pt-20 -57.97 116.97 3.84 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.322 -1.486 . . . . 0.0 109.024 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.01 146.96 40.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.514 -0.741 . . . . 0.0 109.217 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -82.3 137.46 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.769 -1.207 . . . . 0.0 108.184 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -106.71 -18.61 13.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.416 -0.803 . . . . 0.0 110.048 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 52.6 tp10 -143.13 140.17 30.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.079 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.97 -31.05 69.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.922 . . . . 0.0 110.364 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.1 pt-20 -51.69 -34.47 38.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.007 -1.058 . . . . 0.0 109.738 -178.459 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.54 -38.56 81.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 108.504 178.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.7 -33.37 59.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HA ' ' HZ2' ' A' ' 29' ' ' LYS . 62.8 t0 -66.68 -37.81 85.52 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.788 0.804 . . . . 0.0 109.315 179.685 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.96 -39.98 87.38 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG2' ' NE2' ' X' ' 105' ' ' HIS . 40.4 t -64.82 -31.41 53.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.553 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.578 ' SD ' ' NZ ' ' A' ' 29' ' ' LYS . 2.7 mtt -70.05 -32.85 71.16 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.946 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -39.93 77.6 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.125 -1.609 . . . . 0.0 106.825 179.028 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.4 m -87.87 -40.04 14.31 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 72' ' ' GLU . 18.7 tp -88.45 -17.21 30.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 110.947 -177.11 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.4 t0 -81.08 63.36 5.41 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 75.4 mt-10 -57.71 -40.01 78.56 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 81.9 m-20 -71.18 -19.98 62.34 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.688 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.32 31.22 79.77 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 31.9 p-10 -107.85 5.94 26.94 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.111 -1.229 . . . . 0.0 110.239 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.82 10.01 86.15 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.49 -1.844 . . . . 0.0 108.49 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 73.5 mt-10 -146.27 135.59 22.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 136.37 43.38 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.648 -1.283 . . . . 0.0 107.705 178.814 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 31.7 t0 -78.9 169.99 17.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.357 -0.839 . . . . 0.0 109.537 -178.914 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 8.5 t80 -49.45 -38.73 30.66 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.269 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.77 -50.51 72.07 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.804 -0.56 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' HD11 ' A' ' 60' ' ' LEU . 41.8 mt-10 -61.31 -40.28 93.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 110.531 -177.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.7 -30.75 69.47 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 108.733 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.513 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.08 -39.97 87.91 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.572 0.701 . . . . 0.0 109.477 -178.452 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.31 68.51 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 110.19 -179.322 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 80' ' ' VAL . 37.6 t80 -63.81 -24.37 67.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.032 -1.043 . . . . 0.0 108.926 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 10' ' ' LEU . 3.5 t -71.2 -39.66 73.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.82 0.819 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.523 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -70.07 -43.39 71.26 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.456 -177.616 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -40.46 90.21 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.634 -1.291 . . . . 0.0 110.851 -178.304 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' PHE . 18.8 t -69.97 -33.09 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.604 -1.31 . . . . 0.0 108.85 -179.824 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 108.684 179.745 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -39.79 86.84 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.66 80.62 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.06 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -59.3 -33.69 71.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.375 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.986 -1.071 . . . . 0.0 108.777 179.5 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -40.08 93.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 178.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.16 -39.98 74.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 109.489 179.496 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 p 49.94 20.84 0.62 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.4 8.23 3.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.452 -0.78 . . . . 0.0 109.296 179.643 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.93 -36.39 76.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.573 -0.705 . . . . 0.0 111.81 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.01 -39.97 87.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.735 -1.228 . . . . 0.0 109.56 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.474 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -69.15 -33.77 73.94 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.424 -0.797 . . . . 0.0 109.171 -179.2 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.01 80.43 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.492 -0.755 . . . . 0.0 110.789 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -65.16 -39.98 93.71 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.108 -0.995 . . . . 0.0 109.213 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.87 -39.94 86.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.708 0.766 . . . . 0.0 109.173 -179.698 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.31 93.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.825 -0.547 . . . . 0.0 111.225 -178.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.651 HD22 HG11 ' B' ' 77' ' ' VAL . 90.1 mt -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.827 -1.17 . . . . 0.0 108.774 -178.66 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.77 -37.83 79.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.582 -0.699 . . . . 0.0 110.523 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -48.27 82.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.744 -1.223 . . . . 0.0 110.687 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -40.04 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.89 -40.05 83.28 Favored 'General case' 0 C--O 1.201 -1.481 0 O-C-N 121.299 -0.875 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -59.97 -39.63 86.3 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.233 -0.917 . . . . 0.0 110.996 -178.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.905 -1.122 . . . . 0.0 111.394 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.456 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 47.9 m-85 -89.35 -28.65 19.67 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.698 -1.251 . . . . 0.0 112.46 -178.264 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -63.05 -40.0 96.41 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -178.531 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.12 -7.22 85.56 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.09 -1.241 . . . . 0.0 110.881 -178.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -100.62 -6.15 25.64 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.088 -1.007 . . . . 0.0 109.761 -179.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.11 -17.07 58.57 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.218 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.0 m-20 -82.96 69.12 9.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.742 -1.446 . . . . 0.0 108.395 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -60.07 -39.99 87.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.845 -0.534 . . . . 0.0 110.908 -178.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.52 -20.1 54.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.199 -0.938 . . . . 0.0 111.719 -178.015 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' B' ' 23' ' ' ASP . 15.2 ptpt -147.78 159.37 43.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.575 -1.328 . . . . 0.0 111.21 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.3 mt -110.34 136.92 48.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 30' ' ' SER . 39.4 mtmt -106.88 156.8 18.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.858 . . . . 0.0 108.712 179.268 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.582 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 14.7 ttmm -44.37 -27.23 0.41 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.329 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.7 m -77.51 -48.24 17.55 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.842 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 28.9 tt0 -69.96 -30.35 67.7 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.25 -39.96 93.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.629 -0.669 . . . . 0.0 109.558 178.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.05 -40.01 87.93 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.29 -0.881 . . . . 0.0 110.13 -179.67 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 4.3 tp10 -70.65 -37.36 73.71 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 109.607 -178.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.714 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.7 tm? -60.29 -50.02 75.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -74.51 -48.66 34.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 111.597 -178.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.5 t-20 -66.5 -40.46 89.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.078 -1.013 . . . . 0.0 113.002 -176.328 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.438 ' OD1' ' OE2' ' B' ' 34' ' ' GLU . 4.5 m120 -98.05 -34.67 10.7 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.629 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.98 -11.51 59.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.08 -1.637 . . . . 0.0 109.307 -178.205 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.22 58.87 1.7 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' ND1' ' B' ' 42' ' ' HIS . 56.7 p -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 0.0 110.473 -178.853 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.532 ' ND1' ' OG ' ' B' ' 41' ' ' SER . 17.3 p-80 -134.96 -16.32 1.95 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.163 -0.961 . . . . 0.0 110.619 -179.283 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.54 -39.5 94.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 109.231 -179.721 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 ' H ' ' B' ' 45' ' ' GLU . 0.5 OUTLIER -126.53 158.53 35.92 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.778 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.645 ' H ' HD23 ' B' ' 44' ' ' LEU . 8.7 pt-20 -58.5 117.33 4.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.299 -1.501 . . . . 0.0 109.005 -179.55 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 147.0 40.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.534 -0.729 . . . . 0.0 109.092 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -82.51 137.26 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.135 . . . . 0.0 108.156 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -106.47 -18.92 13.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.44 -0.788 . . . . 0.0 110.089 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 52.6 tp10 -143.05 140.32 30.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.212 -0.93 . . . . 0.0 109.087 -178.728 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.91 -31.29 69.68 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.311 -0.868 . . . . 0.0 110.351 -179.296 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.5 pt-20 -51.67 -34.39 38.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.083 -1.011 . . . . 0.0 109.714 -178.392 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.67 -38.45 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.204 -0.935 . . . . 0.0 108.572 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.55 -33.64 61.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.407 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 63.4 t0 -66.61 -37.6 85.21 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.734 0.778 . . . . 0.0 109.343 179.753 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.07 -40.06 86.98 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.753 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.85 -31.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.652 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.582 ' SD ' ' NZ ' ' B' ' 29' ' ' LYS . 2.8 mtt -70.03 -32.84 71.19 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.95 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -40.01 77.77 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.04 -1.662 . . . . 0.0 106.826 179.034 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.8 m -87.85 -40.02 14.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.899 -0.501 . . . . 0.0 111.069 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.452 HD11 ' O ' ' B' ' 72' ' ' GLU . 18.3 tp -88.49 -17.17 30.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.1 -1.0 . . . . 0.0 111.029 -177.084 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.7 t0 -80.97 63.34 5.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.439 -1.413 . . . . 0.0 107.234 178.799 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 79.5 mt-10 -57.51 -40.05 77.86 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.034 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 79.9 m-20 -71.59 -19.93 62.07 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.62 31.25 79.43 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 31.8 p-10 -107.82 5.8 26.86 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.067 -1.255 . . . . 0.0 110.263 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.88 9.96 86.17 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.524 -1.831 . . . . 0.0 108.524 -179.385 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 73.6 mt-10 -146.22 135.5 22.84 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 136.21 43.59 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.686 -1.259 . . . . 0.0 107.658 178.835 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 33.3 t0 -78.97 169.98 17.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.387 -0.82 . . . . 0.0 109.503 -178.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 9.5 t80 -49.38 -39.01 30.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.248 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.65 -50.73 71.36 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.804 -0.56 . . . . 0.0 111.186 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.452 ' O ' HD11 ' B' ' 60' ' ' LEU . 41.1 mt-10 -60.7 -40.74 93.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.046 -1.034 . . . . 0.0 110.614 -178.128 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -68.75 -30.48 69.1 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 108.782 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.01 87.76 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.612 0.72 . . . . 0.0 109.425 -178.635 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.27 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.795 -1.19 . . . . 0.0 110.246 -179.209 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' B' ' 80' ' ' VAL . 37.7 t80 -63.67 -24.55 67.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.033 -1.042 . . . . 0.0 108.964 179.41 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.651 HG11 HD22 ' B' ' 10' ' ' LEU . 3.4 t -71.52 -39.02 69.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 O-C-N 121.33 -0.856 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.513 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -70.22 -43.52 70.47 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.358 -177.782 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.637 -1.289 . . . . 0.0 110.869 -178.385 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 76' ' ' PHE . 19.9 t -70.02 -32.92 53.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.563 -1.336 . . . . 0.0 108.987 -179.822 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -60.01 -40.06 87.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -39.93 87.39 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.16 78.92 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.26 -34.14 71.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.506 -0.747 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.05 -41.1 91.6 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.985 -1.072 . . . . 0.0 108.739 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.59 -40.01 93.23 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.42 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.0 109.541 179.441 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.461 ' NE2' ' CG2' ' A' ' 56' ' ' VAL . 36.4 t-80 -57.57 -37.38 73.08 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.116 -0.99 . . . . 0.0 108.45 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -31.84 70.24 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 17.9 pttt -55.17 -32.16 61.93 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.569 HD23 ' O ' ' X' ' 108' ' ' LEU . 1.2 tt -76.89 -24.89 52.53 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.007 0.908 . . . . 0.0 109.665 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.9 -24.71 64.52 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.155 -1.591 . . . . 0.0 109.216 179.638 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.549 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.9 OUTLIER -48.82 -28.61 3.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.556 -1.34 . . . . 0.0 109.292 -179.107 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.549 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -69.98 -40.0 75.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.721 -1.237 . . . . 0.0 107.769 176.129 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.5 p -60.05 -32.45 70.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.236 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 0.0 . 179.869 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -57.47 -37.63 73.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.111 -0.993 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.01 -31.37 69.87 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.092 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 19.4 pttt -55.43 -32.05 62.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.78 -1.2 . . . . 0.0 107.802 179.589 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.578 HD23 ' O ' ' Y' ' 108' ' ' LEU . 1.2 tt -76.89 -24.87 52.54 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.987 0.898 . . . . 0.0 109.65 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -60.0 -24.73 64.71 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.162 -1.586 . . . . 0.0 109.277 179.72 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.9 OUTLIER -48.65 -28.76 3.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.587 -1.321 . . . . 0.0 109.342 -179.269 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.689 -1.257 . . . . 0.0 107.758 176.167 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.482 ' N ' ' O ' ' Y' ' 109' ' ' MET . 44.9 p -59.98 -31.9 70.33 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.284 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 . 179.802 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m 58.1 21.81 8.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.418 -0.801 . . . . 0.0 109.481 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -77.8 9.84 3.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.84 . . . . 0.0 109.422 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.86 -38.02 80.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 0.0 110.471 -177.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.13 -39.8 87.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.809 -1.182 . . . . 0.0 110.082 -179.205 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.4 mppt? -67.94 -39.08 83.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 109.898 -179.445 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.05 85.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.118 -0.989 . . . . 0.0 110.849 -178.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.0 mtt -62.07 -40.05 94.5 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.127 -0.983 . . . . 0.0 109.356 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.34 -39.27 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-O 121.609 0.718 . . . . 0.0 109.098 -179.683 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.84 95.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.724 -0.61 . . . . 0.0 111.624 -178.455 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.98 -40.01 87.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.657 -1.277 . . . . 0.0 108.347 -179.239 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.32 -39.98 85.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.655 -0.653 . . . . 0.0 110.992 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -66.87 -40.12 87.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.631 -1.293 . . . . 0.0 111.757 -178.205 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.91 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.275 -0.891 . . . . 0.0 110.672 -178.325 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.48 -39.95 68.0 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.205 -0.934 . . . . 0.0 109.067 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -77.41 -22.16 52.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.611 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -55.53 -46.65 77.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.687 -1.258 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 29.1 p90 -114.1 -25.83 8.35 Favored 'General case' 0 N--CA 1.507 2.399 0 C-N-CA 119.696 -0.801 . . . . 0.0 112.168 -177.73 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -67.56 -40.07 84.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.555 -1.34 . . . . 0.0 110.754 -178.487 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.26 59.83 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.424 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.507 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 61.7 mtp180 -59.96 -49.97 75.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.548 -1.56 . . . . 0.0 109.108 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -93.04 165.74 12.7 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.716 -179.082 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.5 -18.25 15.0 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.527 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' CG ' ' HZ1' ' A' ' 26' ' ' LYS . 90.5 m-20 -73.1 51.36 0.3 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.003 -1.293 . . . . 0.0 109.746 -179.564 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 24' ' ' LYS . 12.1 ttmm -71.54 -40.07 70.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.728 -1.232 . . . . 0.0 110.194 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.43 -0.2 57.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.233 -0.917 . . . . 0.0 110.354 -178.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HZ1' ' CG ' ' A' ' 23' ' ' ASP . 19.0 pttp -148.13 167.73 24.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.232 -0.917 . . . . 0.0 108.784 -179.748 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 tp -122.48 131.64 53.96 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.189 -0.944 . . . . 0.0 109.062 -179.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 23.0 tptm -106.74 145.94 31.45 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.095 -1.003 . . . . 0.0 109.203 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ttmm -38.09 -24.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.571 0.7 . . . . 0.0 109.215 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' LYS . 15.5 t -74.52 -50.01 19.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.804 . . . . 0.0 109.276 179.373 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.2 mt-10 -68.05 -35.05 77.6 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.123 -0.985 . . . . 0.0 108.913 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.167 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE2' HD22 ' A' ' 37' ' ' ASN . 86.4 tttt -60.41 -39.42 87.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 179.091 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 86.4 tt0 -62.42 -39.9 94.82 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.901 0.858 . . . . 0.0 109.238 -179.266 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.9 tm? -60.1 -49.04 79.2 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.878 -1.139 . . . . 0.0 108.605 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.55 -47.94 43.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.5 -0.75 . . . . 0.0 112.208 -177.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 96.2 m-20 -79.52 -46.56 17.16 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.538 -1.351 . . . . 0.0 112.742 -176.39 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.469 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -77.12 -50.53 12.82 Favored 'General case' 0 C--N 1.285 -2.229 0 O-C-N 121.464 -0.773 . . . . 0.0 112.98 -176.497 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' ' CD2' ' A' ' 35' ' ' LEU . 75.8 tt0 -71.43 -39.99 70.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.623 -1.298 . . . . 0.0 110.276 -178.164 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.66 61.84 1.36 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.338 -0.851 . . . . 0.0 108.731 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 109.921 -179.544 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -136.54 -14.96 1.66 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.218 -0.926 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.5 t80 -66.97 -35.11 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.026 -1.046 . . . . 0.0 109.74 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -130.02 160.36 33.91 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.69 114.39 4.95 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.816 -1.178 . . . . 0.0 109.975 -178.871 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -59.92 141.99 54.48 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.237 0.541 . . . . 0.0 110.184 179.718 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 49' ' ' GLU . 5.8 mm -76.1 135.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 108.894 179.49 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -2.35 26.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.539 -0.726 . . . . 0.0 110.712 -178.716 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -152.29 132.89 13.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.943 -1.098 . . . . 0.0 108.985 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 3.2 tm0? -60.05 -28.08 67.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 0.0 111.223 -179.128 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 18.1 pt-20 -60.01 -36.84 78.1 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.858 -1.151 . . . . 0.0 109.643 -179.252 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.02 -37.01 70.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.58 -1.266 . . . . 0.0 107.58 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.73 -33.88 64.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -66.45 -36.72 83.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.344 -0.848 . . . . 0.0 109.397 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -68.37 -39.8 81.66 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.2 -38.57 77.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 67.2 mmm -70.55 -23.71 62.66 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.271 179.885 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.35 -39.97 84.9 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 119.96 -1.713 . . . . 0.0 106.606 178.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -40.22 15.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.501 -0.75 . . . . 0.0 109.705 178.34 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 76' ' ' PHE . 1.1 mp -75.98 -27.25 57.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.129 -0.982 . . . . 0.0 109.952 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.9 t0 -79.0 58.94 2.54 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.809 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.43 -35.73 72.54 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -179.216 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.28 -11.42 59.91 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.02 29.9 76.21 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 39.4 p-10 -107.88 10.53 28.54 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.184 -1.186 . . . . 0.0 110.284 -179.405 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.07 3.38 64.59 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 93.3 mt-10 -131.66 131.07 42.86 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.425 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.69 124.49 42.03 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.489 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 56.4 t0 -63.25 158.61 19.71 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -178.775 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 t80 -48.32 -37.5 16.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.127 -0.983 . . . . 0.0 108.861 -179.683 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -69.21 -39.5 78.56 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.907 -1.12 . . . . 0.0 109.99 179.198 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.17 -42.54 99.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.874 -1.141 . . . . 0.0 110.071 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -66.89 -35.32 79.74 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 108.778 179.409 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.412 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.3 mmm -59.96 -36.42 77.07 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.294 0.569 . . . . 0.0 110.103 -179.076 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.38 -34.83 78.09 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.89 -1.131 . . . . 0.0 110.795 -179.283 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.656 ' HB2' HD11 ' A' ' 60' ' ' LEU . 71.6 t80 -59.96 -39.87 87.11 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.974 -1.079 . . . . 0.0 109.339 -179.727 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.5 t -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.295 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.214 -179.062 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 59.6 p -61.51 -40.03 93.14 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.424 -0.798 . . . . 0.0 110.236 -178.378 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 mtm -74.24 -43.96 54.95 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.88 -178.402 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.504 HG22 ' HZ3' ' X' ' 111' ' ' LYS . 51.0 t -59.96 -37.87 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.85 -1.156 . . . . 0.0 110.206 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.7 m -59.96 -37.75 80.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.05 -40.18 73.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.694 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.94 84.21 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.299 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.8 t -59.86 -33.4 71.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.436 -0.79 . . . . 0.0 109.236 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.419 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 14.0 t-80 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.949 -1.094 . . . . 0.0 109.105 -179.581 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.68 -41.24 94.7 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.09 -39.61 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.559 -0.713 . . . . 0.0 109.606 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.309 0.576 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m 57.51 22.71 8.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.475 -0.766 . . . . 0.0 109.43 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -78.04 9.88 3.33 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 109.356 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.87 -38.49 82.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 110.581 -177.597 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.96 -39.91 87.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.813 -1.179 . . . . 0.0 110.049 -179.019 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.466 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.2 mppt? -67.53 -39.57 85.06 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.32 -0.863 . . . . 0.0 109.909 -179.547 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.13 86.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.17 -0.956 . . . . 0.0 110.822 -178.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.2 mtt -62.3 -40.04 94.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 109.438 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.34 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.1 96.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.729 -0.607 . . . . 0.0 111.663 -178.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.91 -40.04 87.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.643 -1.286 . . . . 0.0 108.395 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.5 mt -66.19 -40.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.696 -0.627 . . . . 0.0 111.05 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.91 -40.06 87.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.712 -1.242 . . . . 0.0 111.762 -178.252 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -39.62 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.298 -0.876 . . . . 0.0 110.722 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.5 -40.06 68.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 0.0 109.055 179.815 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -77.37 -22.18 52.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.941 . . . . 0.0 111.62 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.32 -46.84 76.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.663 -1.273 . . . . 0.0 110.717 -178.413 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 27.2 p90 -114.07 -25.9 8.33 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.376 -0.827 . . . . 0.0 112.339 -177.695 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -67.52 -39.98 85.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.674 -1.267 . . . . 0.0 110.679 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.41 -8.74 60.01 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.484 -178.328 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.521 ' NH1' ' OE2' ' B' ' 34' ' ' GLU . 60.5 mtp180 -60.07 -49.91 75.78 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.596 -1.532 . . . . 0.0 109.074 179.706 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -92.99 166.02 12.58 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.521 0.677 . . . . 0.0 109.814 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.31 -19.02 15.59 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.625 ' CG ' ' HZ1' ' B' ' 26' ' ' LYS . 91.2 m-20 -72.99 51.31 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.004 -1.292 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -71.5 -40.03 70.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.722 -1.236 . . . . 0.0 110.235 179.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -89.32 -0.06 57.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.264 -0.897 . . . . 0.0 110.278 -178.485 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.625 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 20.3 pttp -148.35 168.11 23.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 108.888 -179.601 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -123.18 131.57 53.73 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 109.141 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.561 ' O ' ' N ' ' B' ' 30' ' ' SER . 22.2 tptm -106.57 146.12 31.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.147 -0.97 . . . . 0.0 109.231 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ttmm -38.2 -24.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.56 0.695 . . . . 0.0 109.196 178.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.561 ' N ' ' O ' ' B' ' 28' ' ' LYS . 14.3 t -74.64 -50.03 19.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.425 -0.797 . . . . 0.0 109.307 179.386 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 70.2 mt-10 -67.86 -35.16 78.06 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.083 -1.011 . . . . 0.0 108.906 179.002 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.03 -42.76 95.1 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.315 -0.866 . . . . 0.0 109.155 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.407 ' HE2' HD22 ' B' ' 37' ' ' ASN . 85.8 tttt -60.47 -39.63 88.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.203 -0.935 . . . . 0.0 109.186 179.023 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.521 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 86.9 tt0 -62.21 -39.82 94.04 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.907 0.86 . . . . 0.0 109.303 -179.209 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.672 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.9 tm? -60.21 -48.78 80.27 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 120.929 -1.107 . . . . 0.0 108.633 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.04 -47.76 40.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.452 -0.78 . . . . 0.0 112.134 -177.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.7 m-20 -79.4 -47.04 16.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.606 -1.309 . . . . 0.0 112.737 -176.292 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.481 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.4 OUTLIER -77.17 -50.26 13.36 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 121.514 -0.741 . . . . 0.0 112.932 -176.402 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' B' ' 35' ' ' LEU . 78.3 tt0 -71.68 -40.11 69.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.581 -1.324 . . . . 0.0 110.319 -178.22 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.31 61.88 1.46 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.338 -0.851 . . . . 0.0 108.802 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.1 m -60.01 -39.98 87.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.338 -0.851 . . . . 0.0 110.078 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.69 -14.92 1.62 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.4 t80 -67.26 -35.05 78.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 0.0 109.809 -179.364 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tp -129.9 160.07 34.68 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.66 114.73 5.18 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.736 -1.227 . . . . 0.0 110.029 -178.811 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -59.8 142.03 54.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.8 -0.563 . . . . 0.0 110.267 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.596 HG22 ' H ' ' B' ' 49' ' ' GLU . 5.6 mm -76.12 135.81 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.196 -0.94 . . . . 0.0 108.831 179.375 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -2.41 26.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -178.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.596 ' H ' HG22 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -152.52 133.31 14.0 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.973 -1.079 . . . . 0.0 108.993 -179.658 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' B' ' 50' ' ' GLN . 3.0 tm0? -60.12 -28.1 67.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.687 . . . . 0.0 111.277 -179.172 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.455 ' N ' ' OE2' ' B' ' 49' ' ' GLU . 18.3 pt-20 -60.28 -36.7 78.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.908 -1.12 . . . . 0.0 109.797 -179.253 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.02 -37.16 71.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.85 -33.71 63.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -66.5 -36.8 83.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.426 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HD3' ' HD1' ' Y' ' 105' ' ' HIS . 55.3 tttm -68.74 -39.69 80.22 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.491 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -38.51 76.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 177.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 67.5 mmm -70.82 -23.72 62.41 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.29 -39.91 84.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 119.998 -1.689 . . . . 0.0 106.749 178.746 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -40.35 14.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.598 -0.689 . . . . 0.0 109.635 178.435 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' B' ' 76' ' ' PHE . 1.2 mp -75.63 -27.73 58.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.254 -0.903 . . . . 0.0 110.006 -179.523 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 50.3 t0 -78.77 59.15 2.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 178.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -58.95 -35.24 72.82 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -76.43 -11.51 59.9 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.18 29.71 75.74 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.663 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 38.0 p-10 -107.66 10.26 29.04 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.222 -1.164 . . . . 0.0 110.199 -179.409 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.543 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.05 3.63 65.25 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 -179.263 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 93.6 mt-10 -131.61 131.05 42.94 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.71 124.82 42.2 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.531 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.2 t0 -63.37 158.61 20.07 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.325 -0.859 . . . . 0.0 108.757 -178.8 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.2 t80 -48.24 -37.74 16.81 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.169 -0.957 . . . . 0.0 108.77 -179.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -69.14 -39.06 79.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.956 -1.09 . . . . 0.0 110.099 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.85 -42.06 99.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.735 -1.228 . . . . 0.0 110.06 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.01 -35.28 79.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.296 -0.877 . . . . 0.0 108.769 179.392 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 76.3 mmm -60.0 -36.46 77.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.255 0.55 . . . . 0.0 110.194 -179.101 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.448 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -67.49 -34.63 77.54 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.633 ' HB2' HD11 ' B' ' 60' ' ' LEU . 72.3 t80 -59.91 -39.86 86.84 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.935 -1.103 . . . . 0.0 109.342 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.466 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.6 t -60.1 -39.35 80.18 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.24 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.217 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 54.1 p -61.57 -40.02 93.23 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.233 -178.341 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.4 mtm -74.43 -43.51 55.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.063 -178.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.422 HG22 ' HZ3' ' Y' ' 111' ' ' LYS . 53.0 t -60.05 -38.28 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.983 -1.073 . . . . 0.0 110.048 -178.763 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.2 m -59.85 -37.58 79.65 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -40.18 73.16 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.57 84.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.93 -33.36 71.79 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.469 -0.769 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.436 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 12.2 t-80 -59.94 -40.98 90.82 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.931 -179.61 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.73 -41.25 94.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.0 -1.063 . . . . 0.0 108.179 178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.04 -39.78 75.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 109.514 179.323 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.471 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.471 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 5.0 t-80 -61.26 -38.82 88.06 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.272 179.604 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -59.65 -35.33 74.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.561 -0.712 . . . . 0.0 109.23 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.9 -41.02 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.665 -1.272 . . . . 0.0 108.426 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.5 -30.17 67.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.441 -0.787 . . . . 0.0 109.805 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' X' ' 112' ' ' THR . 34.0 mmt -54.36 -24.41 19.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.957 -1.09 . . . . 0.0 109.25 -179.578 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -40.33 -35.86 0.47 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.596 -0.69 . . . . 0.0 109.646 -179.839 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.504 ' HZ3' HG22 ' A' ' 80' ' ' VAL . 17.3 mtmt -79.71 -40.01 29.9 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.006 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 3.4 m -65.62 -41.59 92.5 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.519 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.51 2.57 0 C-N-CA 122.909 0.484 . . . . 0.0 . 179.442 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.462 ' NH1' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.411 0.624 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.461 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 5.1 t-80 -61.52 -38.2 86.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.222 -0.924 . . . . 0.0 109.272 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.84 -35.5 74.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 0.0 109.13 -179.324 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.92 -40.95 90.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.616 -1.302 . . . . 0.0 108.577 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.35 -30.06 67.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.298 -0.876 . . . . 0.0 109.803 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.502 ' O ' ' N ' ' Y' ' 112' ' ' THR . 34.5 mmt -54.42 -24.47 20.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.979 -1.076 . . . . 0.0 109.283 -179.599 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -40.39 -36.11 0.51 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.595 -0.691 . . . . 0.0 109.556 -179.892 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.458 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 17.4 mtmt -79.53 -40.04 30.52 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.502 ' N ' ' O ' ' Y' ' 109' ' ' MET . 3.6 m -65.72 -40.57 92.36 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.443 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.511 2.604 0 C-N-CA 122.923 0.489 . . . . 0.0 . 179.457 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.36 0.6 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 58.48 24.62 12.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.445 -0.784 . . . . 0.0 109.787 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.06 13.01 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -0.815 . . . . 0.0 108.886 179.232 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -58.65 -35.13 72.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 0.0 109.775 -178.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.928 -1.108 . . . . 0.0 109.269 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -66.28 -40.01 89.78 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.494 -0.754 . . . . 0.0 110.251 -179.572 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.0 77.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.283 -0.885 . . . . 0.0 111.863 -177.671 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.465 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 37.1 mtt -67.24 -38.34 85.04 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.856 -1.152 . . . . 0.0 109.457 -179.069 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.19 -36.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.753 -0.592 . . . . 0.0 109.849 -179.617 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.66 77.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.571 -0.706 . . . . 0.0 111.477 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.98 -40.09 87.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.835 -1.165 . . . . 0.0 108.575 -179.087 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.48 -38.42 76.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.2 t0 -60.17 -44.6 94.9 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.915 -1.115 . . . . 0.0 111.04 -179.45 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.06 -39.22 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.076 -1.015 . . . . 0.0 109.097 -179.526 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -52.75 -39.7 62.44 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.661 -1.274 . . . . 0.0 108.919 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.97 -21.42 63.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.417 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -45.36 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.197 -0.939 . . . . 0.0 110.0 -178.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -97.41 -34.58 10.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.83 -1.169 . . . . 0.0 111.71 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -60.83 -43.12 98.69 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 120.846 -1.159 . . . . 0.0 110.392 -178.327 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -11.16 82.2 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.01 -43.14 95.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.232 -1.158 . . . . 0.0 109.317 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.49 169.51 8.91 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.662 0.744 . . . . 0.0 110.074 -179.219 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.03 -32.04 62.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 26' ' ' LYS . 10.2 t0 -74.01 68.03 1.33 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.572 -1.546 . . . . 0.0 109.292 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -69.97 -40.05 75.6 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.439 -0.788 . . . . 0.0 110.607 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -81.07 -13.88 58.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.127 . . . . 0.0 110.879 -178.302 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 9.1 mtpm? -139.28 152.92 47.64 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -179.179 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.15 125.92 54.64 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.127 0.489 . . . . 0.0 110.628 -178.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -93.12 151.55 19.78 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.353 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -43.59 -22.67 0.05 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.848 -1.158 . . . . 0.0 108.75 -179.842 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LYS . 45.8 t -69.95 -49.3 53.21 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.078 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.75 -33.63 72.71 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.743 -1.223 . . . . 0.0 108.38 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.98 -39.1 84.54 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.807 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.02 -40.05 87.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.443 -0.786 . . . . 0.0 110.047 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.54 -39.3 74.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.012 -1.055 . . . . 0.0 110.383 -178.667 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.83 -50.66 68.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.761 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.512 HG23 HD12 ' A' ' 40' ' ' LEU . 55.7 mt -73.2 -42.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.614 -0.679 . . . . 0.0 111.331 -177.676 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -69.73 -38.5 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.914 -1.116 . . . . 0.0 111.503 -178.135 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.22 -34.89 10.17 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -79.9 -10.92 59.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.228 -1.545 . . . . 0.0 110.237 -177.291 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 HG23 ' A' ' 36' ' ' ILE . 27.9 mt -117.37 46.62 1.67 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 0.0 110.443 -178.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -125.95 -6.53 6.7 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.274 -0.891 . . . . 0.0 110.279 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.456 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -61.77 -48.84 78.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 108.62 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.32 -176.56 5.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.0 110.699 -179.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 51.7 tp10 -54.57 98.74 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.61 162.51 12.85 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.544 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.0 139.65 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.98 . . . . 0.0 109.833 -179.172 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -113.66 -26.58 8.18 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.501 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -121.17 147.28 45.81 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.757 0.789 . . . . 0.0 110.283 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.02 -21.32 63.21 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.4 pt-20 -60.29 -39.98 88.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 110.656 -179.177 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 60.4 t -60.02 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.73 -38.08 80.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.333 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.028 0.918 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.58 -29.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.026 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -64.83 -35.18 80.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.36 -39.77 73.43 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.27 -1.519 . . . . 0.0 106.916 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 m -79.23 -44.88 20.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.577 -0.702 . . . . 0.0 111.609 179.504 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 17.4 mt -88.7 -18.29 28.18 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.702 -1.248 . . . . 0.0 111.16 -177.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 57' ' ' MET . 30.9 t0 -81.33 61.48 4.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 179.233 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -60.0 -40.0 87.71 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.629 -177.781 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 40.4 p-10 -89.94 -0.78 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.067 -1.02 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.13 39.74 97.44 Favored Glycine 0 N--CA 1.495 2.582 0 C-N-CA 119.52 -1.324 . . . . 0.0 109.813 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.8 p-10 -103.22 -0.99 29.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -1.135 . . . . 0.0 109.966 -179.552 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.52 -1.12 73.29 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.76 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 20.8 pt-20 -140.04 137.37 34.54 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.6 128.55 45.71 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.51 170.12 13.99 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.426 ' CE2' HG23 ' B' ' 82' ' ' THR . 5.9 t80 -48.86 -40.01 27.93 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.568 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.02 -49.39 70.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.753 -0.592 . . . . 0.0 111.048 179.711 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -60.05 -41.45 92.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.972 -1.08 . . . . 0.0 110.656 -178.474 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -70.87 -26.96 63.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.884 -1.135 . . . . 0.0 108.229 178.67 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -59.95 -39.91 87.22 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.94 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.37 -32.24 69.84 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.132 -0.98 . . . . 0.0 110.56 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.95 -40.15 88.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.639 -1.288 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.59 -35.34 74.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.605 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.514 ' O ' ' SD ' ' B' ' 74' ' ' MET . 7.7 t -60.82 -44.86 96.36 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.853 0.835 . . . . 0.0 110.537 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.55 ' C ' ' HZ2' ' X' ' 111' ' ' LYS . 79.5 mtp -69.93 -40.62 75.42 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.694 -0.629 . . . . 0.0 111.59 -177.729 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.97 -32.07 50.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.863 -1.148 . . . . 0.0 109.888 -179.048 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -40.0 87.73 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.871 0.843 . . . . 0.0 109.022 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.433 HG23 ' CE2' ' B' ' 70' ' ' PHE . 2.0 m -58.99 -39.86 83.12 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.71 75.65 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.04 -34.01 72.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.541 -0.725 . . . . 0.0 109.233 179.442 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.28 -43.72 92.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.947 . . . . 0.0 108.63 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -39.96 95.66 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.882 178.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -67.81 -40.04 83.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.836 . . . . 0.0 110.371 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.334 -0.854 . . . . 0.0 110.028 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.323 0.582 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.429 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 59.17 24.25 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.728 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.01 13.29 0.9 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.382 -0.824 . . . . 0.0 108.885 179.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.6 tp -58.88 -35.24 72.66 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.737 -178.576 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 0.0 109.298 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -66.13 -40.03 90.34 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.538 -0.726 . . . . 0.0 110.294 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.94 77.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 111.858 -177.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.456 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 37.1 mtt -67.08 -38.52 85.89 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.936 -1.102 . . . . 0.0 109.515 -179.116 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.11 -36.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.776 -0.577 . . . . 0.0 109.89 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.64 77.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 111.535 -177.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.872 -1.142 . . . . 0.0 108.468 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt -69.38 -38.56 77.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -60.16 -44.36 95.08 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.897 -1.127 . . . . 0.0 110.998 -179.443 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -38.96 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.121 -179.449 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.82 -39.79 62.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.772 -1.205 . . . . 0.0 108.829 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.98 -21.41 63.24 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.039 -1.038 . . . . 0.0 109.39 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -45.58 92.07 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.199 -0.938 . . . . 0.0 110.084 -178.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.34 -34.37 11.08 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.882 -1.136 . . . . 0.0 111.713 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t -60.95 -43.09 99.22 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 110.517 -178.345 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -11.03 82.3 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.03 -43.26 95.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -1.155 . . . . 0.0 109.336 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.53 169.2 9.14 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.61 0.719 . . . . 0.0 110.089 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.21 61.89 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.3 t0 -73.71 68.0 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.574 -1.545 . . . . 0.0 109.282 -179.221 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 18' ' ' SER . 12.9 ttmm -69.98 -39.97 75.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.381 -0.825 . . . . 0.0 110.659 -179.818 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -81.01 -14.19 58.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.927 -1.108 . . . . 0.0 110.952 -178.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 9.0 mtpm? -139.07 152.96 47.96 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.003 -1.061 . . . . 0.0 110.338 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -112.13 125.87 54.58 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.7 tttt -92.99 151.39 19.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.319 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -43.64 -22.64 0.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 108.758 -179.691 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.1 t -69.96 -49.12 54.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.062 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.77 -33.53 72.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.762 -1.211 . . . . 0.0 108.45 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -39.15 84.87 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.785 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.494 -0.753 . . . . 0.0 110.03 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.63 -38.87 73.93 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.013 -1.054 . . . . 0.0 110.409 -178.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.32 -50.57 67.27 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.785 -1.197 . . . . 0.0 109.686 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.513 HG23 HD12 ' B' ' 40' ' ' LEU . 61.4 mt -73.1 -43.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.617 -0.677 . . . . 0.0 111.261 -177.789 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -69.51 -38.77 77.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.817 -1.177 . . . . 0.0 111.504 -178.077 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.01 -34.9 10.23 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -79.72 -10.97 59.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.164 -1.585 . . . . 0.0 110.189 -177.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.513 HD12 HG23 ' B' ' 36' ' ' ILE . 29.1 mt -117.42 46.5 1.7 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.463 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -60.05 -39.94 87.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.835 . . . . 0.0 110.438 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -125.66 -6.57 6.87 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.322 -0.861 . . . . 0.0 110.302 -179.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -61.8 -48.78 79.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.04 -1.038 . . . . 0.0 108.629 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.39 -176.52 5.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.098 -1.001 . . . . 0.0 110.676 -179.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 51.4 tp10 -54.59 98.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.592 0.71 . . . . 0.0 109.43 -179.612 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.5 162.52 12.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.505 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.01 139.67 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.856 -179.158 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -113.6 -26.64 8.17 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.471 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -121.1 147.13 45.98 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 121.843 0.83 . . . . 0.0 110.358 -179.863 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.05 -21.12 63.2 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.3 pt-20 -60.39 -40.01 89.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.571 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 60.0 t -60.03 -40.08 82.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.68 -38.23 81.07 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.78 -39.86 93.18 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.084 0.945 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.449 ' HZ3' ' CE1' ' Y' ' 105' ' ' HIS . 2.8 ttmp? -65.17 -40.04 93.73 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.43 -29.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -64.86 -35.14 80.17 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.151 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.34 -39.58 73.07 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.2 m -79.44 -45.02 20.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.582 -0.699 . . . . 0.0 111.587 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 17.1 mt -88.57 -18.36 28.24 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.735 -1.228 . . . . 0.0 111.167 -177.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' MET . 32.6 t0 -81.37 61.48 4.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.232 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -60.03 -40.02 87.9 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.655 -177.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 40.2 p-10 -89.99 -0.59 57.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.085 -1.009 . . . . 0.0 109.432 -179.584 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.06 39.96 97.7 Favored Glycine 0 N--CA 1.493 2.489 0 C-N-CA 119.526 -1.321 . . . . 0.0 109.838 179.205 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 34.1 p-10 -103.52 -1.1 28.91 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.215 -1.168 . . . . 0.0 110.014 -179.509 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.39 -0.95 73.23 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.812 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 20.9 pt-20 -140.19 137.43 34.34 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.437 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.67 128.76 45.77 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.051 -1.031 . . . . 0.0 108.221 -179.907 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -71.58 170.38 13.52 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.558 -0.714 . . . . 0.0 109.361 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CE2' HG23 ' A' ' 82' ' ' THR . 5.7 t80 -49.21 -39.99 31.81 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.157 -0.964 . . . . 0.0 108.519 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -64.8 -49.37 70.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.885 -0.509 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -60.07 -41.78 93.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 110.577 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.85 -26.54 63.32 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.03 87.83 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.057 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.16 69.62 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.181 -0.95 . . . . 0.0 110.636 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.08 -40.15 88.55 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.663 -1.273 . . . . 0.0 110.253 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.407 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.55 -35.45 74.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.604 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.52 ' O ' ' SD ' ' A' ' 74' ' ' MET . 7.7 t -60.64 -45.08 95.43 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.865 0.84 . . . . 0.0 110.476 -179.42 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.61 ' C ' ' HZ2' ' Y' ' 111' ' ' LYS . 80.1 mtp -69.78 -40.51 76.01 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.614 -0.679 . . . . 0.0 111.696 -177.692 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.0 -32.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.912 -1.117 . . . . 0.0 109.816 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.821 0.819 . . . . 0.0 109.0 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.426 HG23 ' CE2' ' A' ' 70' ' ' PHE . 2.0 m -58.86 -39.96 82.89 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.7 75.45 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.02 -34.19 73.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.554 -0.716 . . . . 0.0 109.204 179.49 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.03 -43.87 91.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.102 -0.999 . . . . 0.0 108.579 -179.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.467 -0.893 . . . . 0.0 108.911 178.565 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.89 -39.99 83.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.34 -0.85 . . . . 0.0 109.981 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.09 0.471 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.598 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 2.9 p-80 -59.23 -37.48 77.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.715 -1.241 . . . . 0.0 108.798 -179.208 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.598 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 86.8 tttt -59.95 -30.47 69.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.317 -0.864 . . . . 0.0 109.226 179.73 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -59.9 -40.02 87.36 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.876 -1.14 . . . . 0.0 108.379 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.546 HD11 ' HZ3' ' X' ' 111' ' ' LYS . 23.2 tp -72.36 -26.48 61.92 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.759 0.79 . . . . 0.0 109.079 179.028 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.419 ' O ' ' C ' ' X' ' 110' ' ' PHE . 20.9 mmt -65.06 -24.22 67.4 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.974 -1.079 . . . . 0.0 109.953 179.243 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -39.96 -46.71 2.11 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.361 -0.837 . . . . 0.0 110.64 -177.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 41.5 pttt -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 109.821 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . 0.402 ' N ' ' O ' ' X' ' 109' ' ' MET . 81.1 p -62.39 -29.03 70.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.083 -1.01 . . . . 0.0 109.138 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.425 -0.797 . . . . 0.0 . 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.593 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 2.9 p-80 -59.12 -37.54 77.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.723 -1.235 . . . . 0.0 108.939 -179.323 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.593 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.294 -0.879 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -60.02 -39.94 87.6 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.971 -1.081 . . . . 0.0 108.345 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.41 HD11 ' HZ3' ' Y' ' 111' ' ' LYS . 22.8 tp -72.57 -26.38 61.7 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.679 0.752 . . . . 0.0 108.974 179.044 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -65.0 -24.17 67.43 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.961 -1.087 . . . . 0.0 109.936 179.168 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.7 p90 -39.98 -46.71 2.12 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.297 -0.877 . . . . 0.0 110.577 -178.043 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.61 ' HZ2' ' C ' ' B' ' 79' ' ' MET . 42.8 pttt -80.0 -29.2 39.4 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 109.761 -179.941 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 82.7 p -60.29 -30.06 69.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.078 -1.014 . . . . 0.0 109.354 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.406 -0.809 . . . . 0.0 . -179.599 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 ptm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.421 0.629 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t 62.08 19.46 10.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.324 -0.86 . . . . 0.0 109.552 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.73 -7.31 55.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.758 0.79 . . . . 0.0 109.079 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.02 -21.87 1.39 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.757 -0.59 . . . . 0.0 110.098 -178.536 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.7 -38.32 80.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.44 -1.412 . . . . 0.0 108.98 179.543 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -69.33 -36.91 77.41 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.55 88.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.538 -0.726 . . . . 0.0 111.091 -178.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.9 mtt -65.1 -39.96 93.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.025 -1.047 . . . . 0.0 109.16 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.66 -38.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.28 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.76 -0.587 . . . . 0.0 111.295 -178.561 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.616 -1.303 . . . . 0.0 108.222 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.54 -39.12 78.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.754 -0.591 . . . . 0.0 110.356 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 57.9 t0 -59.98 -45.85 91.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.092 -1.005 . . . . 0.0 111.545 -177.913 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -36.53 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.091 -1.006 . . . . 0.0 110.126 -178.54 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.8 -40.01 65.96 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.14 -22.84 57.89 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 111.505 -179.201 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.937 -1.102 . . . . 0.0 111.404 -177.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.403 ' CE1' HD12 ' A' ' 35' ' ' LEU . 15.6 p90 -119.08 -23.16 6.93 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 121.163 -0.961 . . . . 0.0 111.353 -179.162 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.43 -43.32 77.4 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.645 -1.285 . . . . 0.0 110.138 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -3.54 65.18 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.618 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HG2' HH11 ' A' ' 20' ' ' ARG . 18.8 ttt-85 -59.94 -44.92 94.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -1.082 . . . . 0.0 109.945 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.2 tp10 -114.3 158.89 20.83 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.617 -0.677 . . . . 0.0 109.544 -179.221 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -40.95 -20.01 0.03 OUTLIER Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.429 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m-20 -71.73 46.82 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.934 -1.333 . . . . 0.0 109.116 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' GLY . 76.6 tttt -70.83 -45.3 64.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.935 -1.103 . . . . 0.0 110.342 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -77.62 -20.1 54.43 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.272 -0.893 . . . . 0.0 110.984 -178.281 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' O ' ' O ' ' A' ' 23' ' ' ASP . 26.0 pttm -134.62 159.7 40.42 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.184 -0.948 . . . . 0.0 108.494 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -112.48 130.17 56.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.201 -0.937 . . . . 0.0 108.883 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.7 tttm -103.68 145.45 30.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.117 -0.99 . . . . 0.0 109.189 -179.493 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LYS . 49.1 pttt -40.59 -23.41 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.802 0.811 . . . . 0.0 109.366 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.12 -50.57 32.11 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.977 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.12 -32.94 72.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.012 -1.055 . . . . 0.0 108.856 179.426 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.0 -40.23 88.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.46 -38.51 90.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.641 -0.662 . . . . 0.0 109.404 179.09 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.02 -39.9 93.84 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.0 110.245 -178.378 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -69.67 -44.93 69.49 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 120.342 -1.474 . . . . 0.0 108.941 -179.863 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' N ' HD23 ' A' ' 35' ' ' LEU . 66.0 mt -70.79 -42.61 77.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 120.873 -1.142 . . . . 0.0 111.318 -177.611 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.3 t-20 -82.15 -33.43 29.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.518 -1.364 . . . . 0.0 112.032 -177.797 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 -36.13 9.58 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.311 -0.868 . . . . 0.0 113.133 -177.201 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.62 -21.18 22.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.372 -1.455 . . . . 0.0 110.165 -177.724 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -115.4 58.14 0.73 Allowed 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -60.07 -40.5 89.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.383 -0.823 . . . . 0.0 111.09 -178.363 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -135.52 -14.2 1.95 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.055 -1.028 . . . . 0.0 110.562 -179.421 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 t80 -66.95 -38.62 86.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.841 -1.162 . . . . 0.0 109.145 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -127.06 162.17 26.7 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.254 -0.904 . . . . 0.0 108.591 179.734 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 6.4 pt-20 -54.97 109.23 0.49 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.059 -1.026 . . . . 0.0 109.53 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.87 140.23 57.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.088 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.4 mm -86.79 136.67 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.048 -1.033 . . . . 0.0 108.969 -179.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -108.15 -27.4 10.1 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.354 -0.841 . . . . 0.0 109.145 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -120.96 139.99 52.49 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.636 -0.665 . . . . 0.0 109.849 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.36 -21.0 66.23 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.063 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.6 pt-20 -58.4 -39.45 79.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 109.473 -178.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 82.5 t -60.04 -36.1 65.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.487 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.53 -35.78 71.84 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.793 -179.401 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.46 -37.37 84.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.3 -39.99 81.86 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.78 -32.89 60.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.609 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.3 mmm -70.19 -28.64 65.47 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.224 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.9 -39.95 83.02 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.057 -1.652 . . . . 0.0 106.961 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 m -83.82 -40.02 19.24 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.762 -0.586 . . . . 0.0 110.826 179.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 76' ' ' PHE . 42.8 tp -86.75 -18.75 30.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.3 -177.553 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.6 t0 -81.09 63.49 5.47 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 177.922 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -57.86 -39.93 78.96 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -69.98 -16.75 63.23 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.19 74.6 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 27.6 p-10 -107.12 8.75 30.34 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.274 -1.133 . . . . 0.0 110.264 -179.533 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 5.65 87.57 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 78.6 mt-10 -139.5 148.79 43.15 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 13.0 p -115.29 131.05 57.05 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.81 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' PHE . 95.6 m-20 -71.63 160.01 33.4 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.356 -0.84 . . . . 0.0 109.41 -178.84 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.5 t80 -47.65 -39.1 16.26 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.042 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.9 -50.99 71.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.62 -0.675 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 60' ' ' LEU . 88.3 mt-10 -61.61 -41.3 97.27 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.084 -1.01 . . . . 0.0 110.409 -178.502 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 47.5 t80 -60.0 -38.54 82.94 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.387 -0.821 . . . . 0.0 110.066 179.274 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.9 mmm -59.92 -37.99 81.06 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.739 -0.601 . . . . 0.0 110.871 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.81 76.27 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.558 -1.257 . . . . 0.0 110.702 -178.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 60' ' ' LEU . 73.4 t80 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.089 -1.007 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -61.11 -39.23 81.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-O 121.507 0.67 . . . . 0.0 109.523 -179.748 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -61.88 -40.93 97.08 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.57 -0.706 . . . . 0.0 110.465 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 mtm -70.41 -43.81 69.23 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.541 -178.788 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.01 -39.86 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.192 -0.943 . . . . 0.0 110.32 -178.4 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.02 -40.01 87.85 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -51.52 -38.53 54.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.751 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.55 87.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.325 -0.86 . . . . 0.0 108.907 178.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 88' ' ' PHE . 25.3 t -59.95 -38.61 82.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 109.801 -179.66 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.35 -39.59 83.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.887 -1.133 . . . . 0.0 109.057 -179.527 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -37.81 80.84 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.86 -23.96 20.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.197 -0.94 . . . . 0.0 109.186 179.766 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.545 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 8.5 ptm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t 61.89 19.36 10.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.556 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.71 -7.33 55.13 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.727 0.775 . . . . 0.0 109.126 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.4 HD23 ' C ' ' B' ' 3' ' ' LEU . 1.3 tt -50.11 -21.69 1.38 Allowed 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.737 -0.602 . . . . 0.0 110.238 -178.562 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.81 -38.62 80.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.453 -1.405 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -69.0 -37.03 78.49 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.24 87.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.518 -0.739 . . . . 0.0 111.145 -178.898 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.1 mtt -65.38 -39.97 92.9 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.975 -1.078 . . . . 0.0 109.127 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.0 t -64.61 -38.21 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.35 -179.531 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.18 85.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.76 -0.588 . . . . 0.0 111.334 -178.555 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.92 -39.94 87.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.619 -1.301 . . . . 0.0 108.244 -179.311 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.8 -38.98 77.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.672 -0.643 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.04 -45.91 91.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.106 -0.996 . . . . 0.0 111.456 -177.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -36.49 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.048 -1.033 . . . . 0.0 110.148 -178.576 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.01 -40.0 66.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.153 -0.967 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.11 -22.91 57.92 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 111.534 -179.231 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.863 -1.148 . . . . 0.0 111.421 -177.29 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.413 ' CE1' HD12 ' B' ' 35' ' ' LEU . 15.9 p90 -118.91 -23.12 7.04 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.127 -0.983 . . . . 0.0 111.352 -179.128 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -68.45 -43.63 76.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.687 -1.258 . . . . 0.0 110.146 -179.439 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.75 -3.52 63.68 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.464 ' HG2' HH11 ' B' ' 20' ' ' ARG . 19.1 ttt-85 -60.06 -44.84 94.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -1.081 . . . . 0.0 110.019 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.3 tp10 -114.28 158.87 20.84 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.595 -0.691 . . . . 0.0 109.525 -179.284 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -41.01 -19.99 0.03 OUTLIER Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.435 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 21' ' ' GLU . 83.7 m-20 -71.76 47.23 0.13 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.858 -1.377 . . . . 0.0 109.031 -179.815 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' GLY . 76.3 tttt -71.19 -45.11 64.09 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -77.61 -20.37 54.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.207 -0.933 . . . . 0.0 111.025 -178.328 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.0 pttm -134.33 159.79 39.93 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.137 -0.977 . . . . 0.0 108.37 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -112.44 130.3 56.03 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 108.816 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.2 tttm -103.83 145.19 30.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.139 -0.976 . . . . 0.0 109.251 -179.518 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 47.5 pttt -40.4 -23.48 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.783 0.801 . . . . 0.0 109.454 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -70.88 -50.75 31.74 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.954 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.94 -33.22 73.37 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 108.84 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.95 -40.03 87.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.332 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.54 -38.48 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.572 -0.705 . . . . 0.0 109.29 179.136 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.98 -39.99 94.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.312 -0.868 . . . . 0.0 110.276 -178.323 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -69.51 -45.07 69.74 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 120.452 -1.405 . . . . 0.0 108.935 -179.914 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.405 ' N ' HD23 ' B' ' 35' ' ' LEU . 67.2 mt -70.73 -42.71 77.67 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 120.94 -1.1 . . . . 0.0 111.436 -177.548 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.4 t-20 -82.15 -33.39 29.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.541 -1.349 . . . . 0.0 112.012 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.68 -35.99 9.64 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 121.34 -0.85 . . . . 0.0 113.21 -177.245 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -89.77 -21.17 22.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.433 -1.417 . . . . 0.0 110.177 -177.738 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.5 mt -115.39 58.25 0.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -40.48 89.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.398 -0.813 . . . . 0.0 111.092 -178.388 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -135.71 -14.3 1.9 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.036 -1.04 . . . . 0.0 110.54 -179.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 2.5 t80 -66.87 -38.68 86.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.88 -1.138 . . . . 0.0 109.134 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -126.86 162.42 25.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.177 -0.952 . . . . 0.0 108.581 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 6.3 pt-20 -55.41 109.33 0.53 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.974 -1.079 . . . . 0.0 109.49 -179.48 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.86 140.3 57.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 109.14 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.438 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 5.3 mm -86.91 136.46 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 108.928 -179.713 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -108.09 -27.04 10.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.388 -0.82 . . . . 0.0 109.168 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.26 139.98 52.67 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.574 -0.704 . . . . 0.0 109.874 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.36 -21.27 66.24 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.0 pt-20 -58.2 -39.58 79.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.159 -0.963 . . . . 0.0 109.46 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.409 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 78.2 t -60.02 -36.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.149 -0.97 . . . . 0.0 108.524 179.496 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.2 t -68.62 -35.75 71.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 120.009 -0.677 . . . . 0.0 109.761 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.4 -37.36 85.06 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.296 -0.878 . . . . 0.0 109.718 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -68.25 -40.03 82.06 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 t -65.91 -32.78 59.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.4 mmm -70.23 -28.69 65.45 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.182 179.39 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -58.69 -40.02 82.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.085 -1.634 . . . . 0.0 107.044 178.644 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.9 m -83.87 -40.0 19.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.826 -0.546 . . . . 0.0 110.873 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' B' ' 76' ' ' PHE . 43.0 tp -86.77 -18.77 30.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.116 -0.99 . . . . 0.0 110.264 -177.506 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' B' ' 57' ' ' MET . 51.7 t0 -80.97 63.57 5.4 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -57.92 -39.99 79.31 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -178.545 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.6 30.17 74.62 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.523 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 27.2 p-10 -107.25 8.82 30.11 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.233 -1.157 . . . . 0.0 110.308 -179.513 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.24 5.67 87.49 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.438 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 78.9 mt-10 -139.37 148.87 43.46 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.599 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.7 p -115.4 130.82 57.01 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.808 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 70' ' ' PHE . 95.4 m-20 -71.39 159.98 33.58 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 -178.845 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 69' ' ' ASP . 4.6 t80 -47.71 -38.82 16.0 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.37 -50.56 72.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.644 -0.66 . . . . 0.0 109.967 178.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.431 ' O ' HD11 ' B' ' 60' ' ' LEU . 88.3 mt-10 -61.8 -41.2 97.44 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.111 -0.993 . . . . 0.0 110.405 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 48.4 t80 -60.15 -38.48 83.25 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.344 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.94 -38.34 82.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.763 -0.585 . . . . 0.0 110.755 -177.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.67 76.42 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.493 -1.283 . . . . 0.0 110.752 -178.349 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.454 ' HB2' HD13 ' B' ' 60' ' ' LEU . 73.6 t80 -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.608 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.447 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -61.09 -39.1 81.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 121.471 0.653 . . . . 0.0 109.554 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -61.95 -40.95 97.3 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.614 -0.679 . . . . 0.0 110.403 -178.381 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.3 mtm -70.46 -44.06 68.55 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.04 -39.58 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.288 -178.405 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -39.97 87.61 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -51.65 -38.45 54.86 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.52 87.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 108.949 178.689 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 88' ' ' PHE . 24.8 t -60.06 -38.53 83.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.432 -0.793 . . . . 0.0 109.828 -179.643 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.43 -39.5 83.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.914 -1.116 . . . . 0.0 109.117 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -37.81 80.79 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.062 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -90.77 -24.03 20.47 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.175 -0.953 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 120.773 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.8 OUTLIER -58.85 -34.75 71.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.683 -1.261 . . . . 0.0 109.53 -178.976 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 86.1 tttt -59.96 -37.69 80.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.062 -1.024 . . . . 0.0 108.261 179.005 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.64 -40.01 68.56 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 108.59 -179.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.03 -27.02 60.74 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.46 -0.775 . . . . 0.0 110.296 179.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.421 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.4 mmt -53.8 -24.51 15.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.664 -1.273 . . . . 0.0 109.385 -179.056 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.8 p90 -42.18 -37.01 1.33 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.323 -0.861 . . . . 0.0 110.173 -178.906 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' X' ' 110' ' ' PHE . 4.7 mtmp? -79.56 -37.56 36.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.849 -1.157 . . . . 0.0 109.479 177.802 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 76.8 p -59.28 -31.14 68.84 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 73.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.428 -0.795 . . . . 0.0 . 178.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.499 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 120.796 0.331 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.647 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.7 OUTLIER -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.72 -1.238 . . . . 0.0 109.508 -178.961 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.647 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.97 -38.2 81.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.34 -40.03 67.65 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.496 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.22 -26.56 60.32 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 179.406 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 16.1 mmt -54.19 -24.5 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.517 -1.364 . . . . 0.0 109.389 -179.218 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.483 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.8 p90 -42.08 -36.98 1.28 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.408 -0.808 . . . . 0.0 110.239 -178.925 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.483 ' HG3' ' CZ ' ' Y' ' 110' ' ' PHE . 4.5 mtmp? -79.69 -37.2 36.3 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.778 -1.201 . . . . 0.0 109.526 177.815 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . 0.403 ' N ' ' O ' ' Y' ' 109' ' ' MET . 82.0 p -59.97 -30.15 68.9 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.776 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 73.3 mm-40 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.456 -0.777 . . . . 0.0 . 178.726 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.466 ' C ' ' N ' ' A' ' 2' ' ' GLU . 78.6 mtm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p 51.21 14.63 0.23 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.214 -0.929 . . . . 0.0 108.858 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 0' ' ' MET . 82.8 tt0 -70.03 -1.47 9.9 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.833 0.825 . . . . 0.0 109.153 179.614 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.0 -36.53 77.39 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.29 -0.881 . . . . 0.0 112.34 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.91 -39.99 87.3 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.451 -1.405 . . . . 0.0 109.61 -178.486 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.345 -0.847 . . . . 0.0 109.763 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.91 83.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 0.0 110.801 -178.75 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -62.45 -40.01 95.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 109.438 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.03 -38.76 82.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.0 94.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.875 -0.515 . . . . 0.0 111.724 -178.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.07 -40.0 87.99 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.567 -1.333 . . . . 0.0 108.486 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.73 -38.81 79.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.723 -0.61 . . . . 0.0 110.522 -179.298 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.99 -40.01 94.32 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.653 -1.279 . . . . 0.0 110.611 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -38.84 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.286 -0.884 . . . . 0.0 109.149 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.443 ' O ' ' OG ' ' A' ' 18' ' ' SER . 58.9 t80 -51.56 -39.99 58.89 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.918 -1.114 . . . . 0.0 108.577 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -80.03 -22.18 42.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 0.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -52.7 -48.28 66.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.898 -1.126 . . . . 0.0 110.402 -178.313 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.779 ' OH ' HD12 ' A' ' 35' ' ' LEU . 20.8 p90 -111.19 -25.64 9.61 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.418 -0.801 . . . . 0.0 111.806 -178.434 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 57.5 m -60.03 -39.97 87.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.519 -1.363 . . . . 0.0 109.953 -178.404 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -2.37 77.85 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 69.2 ttt180 -59.96 -49.71 76.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.18 -1.188 . . . . 0.0 109.772 -179.664 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.01 -76.03 0.42 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.116 -0.99 . . . . 0.0 109.791 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.36 -22.25 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.298 -1.43 . . . . 0.0 110.696 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 26' ' ' LYS . 62.5 m-20 -77.75 70.19 4.09 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.594 -1.533 . . . . 0.0 108.896 -179.842 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.71 -40.54 95.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.917 -179.676 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -90.03 -0.25 57.49 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.979 -1.075 . . . . 0.0 111.368 -178.316 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' ASP . 25.8 ttmt -149.25 154.62 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.666 -1.271 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD21 ' OG ' ' A' ' 18' ' ' SER . 43.7 mt -117.43 137.94 52.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.505 -0.747 . . . . 0.0 109.52 179.853 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.1 ttmt -108.04 147.91 30.49 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.273 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.9 ttmp? -38.76 -25.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.696 0.76 . . . . 0.0 109.186 179.505 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LYS . 79.4 p -78.28 -46.88 19.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.279 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 98.0 mt-10 -69.96 -35.35 74.39 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.372 -0.83 . . . . 0.0 108.827 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.426 -0.797 . . . . 0.0 109.168 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 63.1 mm-40 -60.94 -36.34 79.08 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.779 HD12 ' OH ' ' A' ' 17' ' ' TYR . 3.1 tt -59.98 -52.89 63.47 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-O 122.557 1.17 . . . . 0.0 108.173 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.62 -45.97 27.99 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.221 -0.924 . . . . 0.0 112.762 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -73.06 -36.33 66.86 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.881 -1.137 . . . . 0.0 112.34 -176.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.463 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -97.05 -37.1 10.28 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.568 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.9 mt-10 -98.14 -20.94 17.01 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 120.411 -1.43 . . . . 0.0 111.796 -177.77 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 39' ' ' GLU . 7.0 mt -129.31 56.52 1.69 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.26 -0.9 . . . . 0.0 109.018 -179.697 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 44' ' ' LEU . 8.1 m -78.89 -67.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 109.917 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -78.49 -39.97 36.73 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.948 . . . . 0.0 110.63 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.2 -35.86 78.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.186 -0.946 . . . . 0.0 110.329 -178.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 34.4 tp -128.34 159.88 33.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.322 -0.861 . . . . 0.0 108.745 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.65 107.6 0.27 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.03 -1.044 . . . . 0.0 109.09 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.63 145.17 50.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.691 . . . . 0.0 109.276 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.592 HG21 HG23 ' A' ' 53' ' ' VAL . 39.5 mm -80.14 141.05 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 0.0 109.061 179.879 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -107.34 -21.93 12.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.533 -0.729 . . . . 0.0 109.288 -179.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.34 154.06 45.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.28 -0.888 . . . . 0.0 110.664 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -68.62 -22.51 64.43 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.1 -39.13 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.14 -0.975 . . . . 0.0 110.409 -179.486 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG21 ' NE2' ' X' ' 105' ' ' HIS . 63.0 t -61.26 -40.04 84.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.017 -1.052 . . . . 0.0 108.652 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.592 HG23 HG21 ' A' ' 47' ' ' ILE . 46.8 t -62.75 -39.87 86.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.447 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -60.08 -40.01 88.09 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.616 -0.677 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.92 -31.52 54.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.255 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.7 mmm -70.08 -27.2 64.43 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.422 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.25 -39.87 80.28 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 178.212 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.6 m -79.63 -40.89 28.19 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.666 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 76' ' ' PHE . 2.8 mp -88.93 -18.04 28.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.13 . . . . 0.0 110.155 -178.268 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.9 t0 -81.66 62.02 5.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.533 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.89 -34.56 73.34 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -79.29 -8.53 59.12 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.57 78.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.87 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.0 p-10 -106.86 2.24 25.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.234 -1.156 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 79.97 4.43 89.6 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.232 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 59.1 mt-10 -136.19 134.71 38.47 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.9 p -104.18 129.79 51.94 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.236 -0.915 . . . . 0.0 109.393 179.888 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.02 164.98 24.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.237 -0.915 . . . . 0.0 109.247 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.74 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.031 -1.043 . . . . 0.0 108.465 -179.073 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.51 -37.7 77.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.137 -0.977 . . . . 0.0 108.719 178.56 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 46.3 mt-10 -66.81 -40.03 87.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 0.0 109.027 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CE1' HD11 ' A' ' 35' ' ' LEU . 2.4 t80 -62.37 -35.64 79.78 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -36.53 77.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.387 0.613 . . . . 0.0 110.441 -178.007 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.73 76.28 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 118.841 -1.143 . . . . 0.0 110.748 -179.221 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.662 ' HB2' HD11 ' A' ' 60' ' ' LEU . 51.1 t80 -62.59 -39.23 93.06 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.088 -1.008 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.465 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -59.99 -38.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.284 0.564 . . . . 0.0 110.214 -178.511 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 p -65.14 -39.72 93.4 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.31 -0.869 . . . . 0.0 109.867 -178.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.2 mtp -69.84 -43.04 72.75 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.519 -0.738 . . . . 0.0 112.196 -177.872 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.12 -34.53 55.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 120.823 -1.173 . . . . 0.0 109.98 -178.603 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -62.09 -40.05 94.53 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.09 -39.44 72.13 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.13 86.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.523 -0.736 . . . . 0.0 109.293 178.552 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 88' ' ' PHE . 48.9 t -59.72 -37.86 80.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.495 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.001 -1.062 . . . . 0.0 108.411 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.97 -38.61 83.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.185 -0.947 . . . . 0.0 108.895 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -92.21 -24.45 19.03 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.268 -0.895 . . . . 0.0 111.017 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 4.2 t80 . . . . . 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 109.168 -179.246 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . 0.447 ' C ' ' N ' ' B' ' 2' ' ' GLU . 77.9 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.9 p 51.33 14.68 0.25 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.264 -0.897 . . . . 0.0 108.854 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' B' ' 0' ' ' MET . 81.7 tt0 -69.95 -1.63 10.21 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.838 0.828 . . . . 0.0 109.123 179.542 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.96 -36.54 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 112.312 -177.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.431 -1.418 . . . . 0.0 109.565 -178.537 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -64.36 -39.96 94.92 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.259 -0.901 . . . . 0.0 109.808 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -39.91 82.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 110.785 -178.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.8 mtt -62.2 -39.97 94.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.037 -1.039 . . . . 0.0 109.477 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.09 -38.86 82.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.769 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.05 94.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.83 -0.544 . . . . 0.0 111.708 -178.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.04 -40.06 88.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.666 -1.271 . . . . 0.0 108.474 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -68.91 -38.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.786 -0.571 . . . . 0.0 110.536 -179.247 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.29 -40.03 93.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.621 -1.3 . . . . 0.0 110.59 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -38.74 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.279 -0.888 . . . . 0.0 109.128 -179.431 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -51.55 -39.97 58.81 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.003 -1.061 . . . . 0.0 108.615 179.284 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -80.01 -22.28 42.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -52.66 -48.24 66.61 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.85 -1.156 . . . . 0.0 110.5 -178.371 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.767 ' OH ' HD12 ' B' ' 35' ' ' LEU . 20.7 p90 -111.19 -25.65 9.6 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.401 -0.812 . . . . 0.0 111.822 -178.511 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.443 ' OG ' HD21 ' B' ' 27' ' ' LEU . 56.4 m -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.487 -1.383 . . . . 0.0 109.971 -178.492 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -2.33 77.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 69.2 ttt180 -59.98 -49.62 76.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -1.153 . . . . 0.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.2 -76.12 0.42 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.155 -0.966 . . . . 0.0 109.766 -179.704 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.09 -22.45 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.349 -1.405 . . . . 0.0 110.712 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 61.1 m-20 -77.6 70.34 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.608 -1.525 . . . . 0.0 108.966 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.99 -40.52 95.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.443 -0.786 . . . . 0.0 110.732 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -90.08 -0.32 57.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.026 -1.046 . . . . 0.0 111.41 -178.29 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.3 ttmt -149.07 154.75 39.72 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.706 -1.246 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.443 HD21 ' OG ' ' B' ' 18' ' ' SER . 42.4 mt -117.53 137.95 52.22 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.566 -0.709 . . . . 0.0 109.519 179.811 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' SER . 33.0 ttmt -108.01 147.82 30.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' B' ' 28' ' ' LYS . 2.0 ttmp? -38.67 -25.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.695 0.76 . . . . 0.0 109.216 179.442 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 28' ' ' LYS . 78.7 p -78.3 -47.02 18.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.235 179.482 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mt-10 -69.94 -35.29 74.4 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.165 -0.96 . . . . 0.0 108.486 179.303 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.99 -40.1 88.02 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.684 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.02 -39.95 87.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.25 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.407 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 63.4 mm-40 -61.04 -36.28 79.13 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.526 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.767 HD12 ' OH ' ' B' ' 17' ' ' TYR . 3.1 tt -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 122.604 1.192 . . . . 0.0 108.189 179.406 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.58 -46.03 28.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.146 -0.971 . . . . 0.0 112.764 -177.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.22 -36.18 66.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.868 -1.145 . . . . 0.0 112.421 -176.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.459 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -97.17 -36.87 10.31 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.623 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.3 -21.27 16.74 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.382 -1.449 . . . . 0.0 111.721 -177.769 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.83 56.41 1.67 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 109.014 -179.606 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' O ' ' B' ' 44' ' ' LEU . 7.3 m -78.94 -67.0 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -78.55 -39.99 36.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.639 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.13 -35.97 78.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.205 -0.934 . . . . 0.0 110.272 -178.783 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 41' ' ' SER . 34.3 tp -128.19 159.79 34.1 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.224 -0.923 . . . . 0.0 108.792 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.51 107.65 0.27 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.981 -1.075 . . . . 0.0 109.147 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 145.08 50.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.565 -0.709 . . . . 0.0 109.3 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.572 HG21 HG23 ' B' ' 53' ' ' VAL . 41.5 mm -80.07 140.91 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 109.139 179.847 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -107.22 -22.04 12.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.568 -0.708 . . . . 0.0 109.313 -179.002 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.36 154.17 45.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.211 -0.931 . . . . 0.0 110.69 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.65 -22.59 64.4 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.045 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -65.0 -39.15 93.03 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.103 -0.998 . . . . 0.0 110.326 -179.468 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.41 HG21 ' NE2' ' Y' ' 105' ' ' HIS . 65.9 t -61.17 -40.0 84.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.999 -1.063 . . . . 0.0 108.659 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.572 HG23 HG21 ' B' ' 47' ' ' ILE . 44.6 t -62.86 -39.96 86.99 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.525 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 61.5 t0 -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.619 -0.675 . . . . 0.0 109.557 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.9 -40.23 96.92 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.77 -31.59 54.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.545 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.2 mmm -70.0 -27.28 64.57 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.489 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.17 -40.01 80.35 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.321 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -79.58 -40.74 28.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.704 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' B' ' 76' ' ' PHE . 2.6 mp -89.0 -18.1 28.05 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.294 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.4 t0 -81.62 61.88 5.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.619 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -59.97 -34.38 73.2 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.519 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.36 -8.45 59.09 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.507 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.81 31.63 78.91 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.07 2.27 24.87 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.265 -1.138 . . . . 0.0 110.431 -179.178 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.71 4.69 89.45 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.411 -1.875 . . . . 0.0 108.411 -179.152 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.5 mt-10 -136.1 134.46 38.39 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.5 p -104.08 129.55 51.74 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.259 -0.9 . . . . 0.0 109.385 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -70.92 164.95 24.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.224 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.67 66.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.999 -1.063 . . . . 0.0 108.53 -179.076 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.44 -37.82 77.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 108.674 178.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 46.5 mt-10 -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.062 -1.024 . . . . 0.0 109.129 179.598 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' B' ' 35' ' ' LEU . 2.4 t80 -62.59 -35.51 79.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.334 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -36.24 76.89 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.386 0.612 . . . . 0.0 110.434 -178.079 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.7 -34.43 75.65 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.821 -1.174 . . . . 0.0 110.807 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.666 ' HB2' HD11 ' B' ' 60' ' ' LEU . 50.5 t80 -62.92 -39.0 93.21 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.123 -0.986 . . . . 0.0 110.214 -179.55 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.419 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -60.05 -38.99 79.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-O 121.264 0.554 . . . . 0.0 110.116 -178.598 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 11.7 p -65.03 -39.89 94.01 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 -178.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 42.4 mtp -69.78 -42.75 73.39 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.73 . . . . 0.0 112.13 -177.752 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.61 -34.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.828 -1.17 . . . . 0.0 109.944 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -40.02 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -39.44 72.04 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.59 87.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.595 -0.691 . . . . 0.0 109.337 178.518 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' B' ' 88' ' ' PHE . 42.8 t -59.61 -37.64 79.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.479 -0.763 . . . . 0.0 109.517 -179.141 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.984 -1.073 . . . . 0.0 108.439 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.94 -38.68 83.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -92.01 -24.8 19.1 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.299 -0.876 . . . . 0.0 110.969 -179.012 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 4.2 t80 . . . . . 0 N--CA 1.499 2.02 0 O-C-N 121.026 -1.046 . . . . 0.0 109.191 -179.234 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.95 0.881 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' X' ' 109' ' ' MET . 5.2 m-70 -59.98 -38.09 81.56 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 108.878 -179.363 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -58.76 -29.53 66.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 40.2 mtmt -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.907 -1.12 . . . . 0.0 108.173 179.37 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.54 HD23 ' O ' ' X' ' 108' ' ' LEU . 1.2 tt -73.75 -27.13 61.02 Favored 'General case' 0 N--CA 1.506 2.326 0 CA-C-O 121.94 0.876 . . . . 0.0 110.054 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.94 -24.7 64.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.561 -1.337 . . . . 0.0 110.357 -179.42 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -51.02 -32.37 21.29 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.4 -1.438 . . . . 0.0 110.004 -178.496 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.578 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 1.5 mmpt? -70.01 -40.06 75.47 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.343 -1.473 . . . . 0.0 107.859 177.435 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 68.8 p -60.89 -31.63 71.11 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.672 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.473 -0.767 . . . . 0.0 . 179.788 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.989 0.899 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.521 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 5.2 m-70 -60.0 -38.03 81.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.252 -0.905 . . . . 0.0 108.835 -179.38 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -58.93 -29.5 67.16 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.266 -0.896 . . . . 0.0 109.267 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 39.5 mtmt -59.97 -39.83 87.0 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.913 -1.117 . . . . 0.0 108.226 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.533 HD23 ' O ' ' Y' ' 108' ' ' LEU . 1.2 tt -74.01 -26.98 60.73 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 122.002 0.906 . . . . 0.0 110.037 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.0 -24.68 64.67 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.476 -1.39 . . . . 0.0 110.346 -179.448 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.615 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.5 OUTLIER -51.0 -32.47 21.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.371 -1.456 . . . . 0.0 109.928 -178.542 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.615 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 1.5 mmpt? -69.94 -40.64 75.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.293 -1.504 . . . . 0.0 107.783 177.437 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 65.1 p -59.97 -31.62 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.828 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 . -179.986 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t 53.24 23.09 2.97 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 109.104 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 4' ' ' GLU . 11.5 pt-20 -72.73 -7.97 53.12 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.663 0.744 . . . . 0.0 109.068 179.413 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 tp -42.89 -24.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.477 -0.765 . . . . 0.0 110.84 -178.31 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CZ ' ' B' ' 43' ' ' PHE . 51.3 tp10 -67.4 -40.0 85.59 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.821 -1.174 . . . . 0.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -77.18 -38.94 50.63 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.92 -1.112 . . . . 0.0 110.468 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -43.52 81.1 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 111.041 -178.159 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.7 mtt -61.08 -40.12 92.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.927 -1.108 . . . . 0.0 109.541 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.15 -39.1 84.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.87 88.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.873 -0.517 . . . . 0.0 111.43 -178.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.599 -1.313 . . . . 0.0 107.96 -179.405 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.59 -38.63 80.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 121.777 -0.577 . . . . 0.0 110.288 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -64.22 -40.43 96.04 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.913 -1.117 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.8 -39.33 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.222 -0.923 . . . . 0.0 109.35 -178.712 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -59.89 -40.01 87.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.558 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.55 -33.44 74.95 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.58 -0.7 . . . . 0.0 110.714 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.868 -1.145 . . . . 0.0 110.715 -178.008 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.8 m-85 -91.02 -29.29 17.45 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.668 -1.27 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.1 p -60.1 -40.16 88.67 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.884 -1.135 . . . . 0.0 109.789 -179.333 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.35 -4.45 86.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.1 ttt-85 -60.02 -46.34 89.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.061 -1.258 . . . . 0.0 109.198 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ASP . 98.3 mt-10 -115.6 159.33 21.43 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.609 -0.682 . . . . 0.0 109.321 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -15.12 0.22 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.8 m-20 -83.14 68.52 9.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.757 -1.437 . . . . 0.0 109.843 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.17 -39.93 78.45 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.266 -0.896 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.17 -14.55 59.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.996 -1.065 . . . . 0.0 111.605 -177.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' ASP . 20.7 pttp -146.65 165.2 30.28 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.703 -1.248 . . . . 0.0 110.232 -179.079 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 mt -113.15 135.26 54.01 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.681 -0.637 . . . . 0.0 109.577 -179.794 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.1 tttm -98.84 145.0 27.42 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.882 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 37.3 pttt -41.06 -25.09 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.001 0.905 . . . . 0.0 109.306 -179.182 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 28' ' ' LYS . 41.1 t -79.95 -47.8 14.42 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LYS . 75.3 tt0 -69.16 -35.42 76.3 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.528 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.97 -39.99 87.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.567 -0.708 . . . . 0.0 109.361 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 58.3 tttm -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.431 -0.793 . . . . 0.0 109.658 -179.485 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.159 -0.963 . . . . 0.0 108.817 -179.2 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.706 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.1 tt -61.75 -48.96 78.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.06 -1.025 . . . . 0.0 109.177 178.679 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.54 -45.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.452 -0.78 . . . . 0.0 112.22 -177.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -69.53 -40.03 77.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.8 -1.187 . . . . 0.0 112.427 -176.783 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.68 12.92 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.519 -0.738 . . . . 0.0 112.967 -176.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 16.4 tt0 -81.57 -9.65 59.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.201 -1.562 . . . . 0.0 108.87 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 mt -133.74 57.05 1.82 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.753 -0.592 . . . . 0.0 109.487 -179.401 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -60.02 -40.53 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.678 -178.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -133.14 -18.15 2.32 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.216 -0.928 . . . . 0.0 109.961 -179.756 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' OE1' ' B' ' 4' ' ' GLU . 2.6 t80 -62.08 -40.0 94.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.5 161.88 33.4 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -55.95 112.08 1.1 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.027 -1.046 . . . . 0.0 110.023 -179.359 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.1 139.98 57.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 108.793 179.218 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.545 HG21 HG23 ' A' ' 53' ' ' VAL . 40.9 mm -69.88 142.0 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.76 -1.212 . . . . 0.0 108.76 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -15.41 14.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.381 -0.824 . . . . 0.0 111.234 -178.442 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 85.9 tt0 -150.0 150.01 31.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.557 -1.339 . . . . 0.0 110.092 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 13.2 mm100 -60.05 -32.97 71.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.603 -0.686 . . . . 0.0 110.934 -179.207 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 20.9 pt-20 -59.98 -37.59 80.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 110.777 -177.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.1 -40.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.845 -1.159 . . . . 0.0 108.447 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.545 HG23 HG21 ' A' ' 47' ' ' ILE . 70.3 t -63.91 -38.87 83.51 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.06 -37.85 88.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.528 -0.733 . . . . 0.0 109.826 -179.381 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.9 -39.94 91.07 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.65 -33.05 60.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.272 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.98 -27.69 64.93 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.824 -1.798 . . . . 0.0 106.38 178.622 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.5 m -81.73 -39.87 23.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.73 -17.54 31.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -177.892 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 62.2 t0 -81.03 63.93 5.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 178.422 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -59.85 -39.76 86.3 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.491 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -84.95 -1.25 56.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.964 -1.085 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.6 34.77 90.83 Favored Glycine 0 N--CA 1.497 2.729 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.867 178.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.3 p-10 -104.7 1.22 29.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.003 -1.292 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.544 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.44 7.79 85.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 -179.398 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.4 mt-10 -137.53 138.55 39.76 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 15.8 p -102.29 128.88 48.64 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.063 -1.023 . . . . 0.0 108.953 179.417 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -80.0 169.95 17.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 -178.718 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.06 -39.75 82.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.923 . . . . 0.0 110.202 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 89.4 mt-10 -69.07 -40.03 78.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.525 -1.359 . . . . 0.0 109.562 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' CE2' HG22 ' A' ' 77' ' ' VAL . 56.1 t80 -70.03 -25.01 63.37 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 108.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.03 -39.69 86.75 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.031 0.919 . . . . 0.0 108.64 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.24 76.44 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.008 -179.433 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 60' ' ' LEU . 91.9 t80 -60.06 -39.95 87.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.165 -0.959 . . . . 0.0 110.427 179.734 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -60.03 -37.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 O-C-N 121.346 -0.847 . . . . 0.0 109.738 -178.912 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -40.27 84.77 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.174 -1.011 . . . . 0.0 109.025 -179.766 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 91.7 mtp -60.37 -46.91 88.28 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.561 -0.712 . . . . 0.0 112.206 -179.457 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 76' ' ' PHE . 5.8 t -73.83 -28.39 24.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 120.937 -1.102 . . . . 0.0 110.387 -178.286 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.24 -39.95 88.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 108.572 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -39.92 85.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.54 72.17 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.815 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.03 -37.67 80.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.675 -0.641 . . . . 0.0 109.601 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.092 -1.005 . . . . 0.0 109.209 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -69.57 -29.14 66.63 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.368 179.672 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -86.76 -24.79 24.96 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.684 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.416 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.5 ptm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.4 t 53.1 23.25 2.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' GLU . 11.1 pt-20 -72.95 -7.81 52.77 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.702 0.763 . . . . 0.0 108.977 179.371 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.7 tp -42.74 -24.64 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 110.746 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.524 ' OE1' ' CZ ' ' A' ' 43' ' ' PHE . 51.6 tp10 -67.29 -39.93 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.789 -1.194 . . . . 0.0 110.347 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -77.17 -39.54 48.62 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.907 -1.12 . . . . 0.0 110.354 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.94 83.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 111.036 -178.235 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 28.0 mtt -60.94 -40.03 91.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.843 -1.16 . . . . 0.0 109.635 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.97 -38.99 83.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.828 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.63 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.797 -0.565 . . . . 0.0 111.409 -178.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.97 -40.0 87.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.593 -1.317 . . . . 0.0 107.908 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.61 -38.53 80.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.722 -0.611 . . . . 0.0 110.273 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.24 -40.35 95.84 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.905 -1.122 . . . . 0.0 111.242 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -39.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.304 -0.872 . . . . 0.0 109.33 -178.761 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.02 -39.99 87.77 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -62.62 -33.45 75.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.575 -0.703 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.928 -1.107 . . . . 0.0 110.739 -177.915 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.435 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 52.3 m-85 -91.13 -29.21 17.41 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.696 -1.253 . . . . 0.0 111.578 -179.147 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -60.06 -40.14 88.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.9 -1.125 . . . . 0.0 109.718 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.37 -4.49 87.04 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.06 -1.259 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -115.37 159.55 20.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.742 . . . . 0.0 109.416 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.61 -15.29 0.28 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.252 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.6 m-20 -83.05 68.67 9.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.794 -1.415 . . . . 0.0 109.884 -179.491 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -69.24 -39.93 78.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.15 -14.55 59.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.057 -1.027 . . . . 0.0 111.543 -177.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.9 pttp -146.66 165.21 30.25 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.618 -1.301 . . . . 0.0 110.228 -179.122 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -113.02 135.3 53.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.783 -0.573 . . . . 0.0 109.561 -179.78 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' B' ' 30' ' ' SER . 54.9 tttm -98.81 145.76 26.62 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 36.7 pttt -41.87 -25.31 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.067 0.936 . . . . 0.0 109.224 -179.028 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.8 t -79.73 -47.65 14.94 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.464 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 77.7 tt0 -69.36 -35.26 75.67 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.607 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.198 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.456 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 58.6 tttm -59.9 -40.04 87.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.452 -0.78 . . . . 0.0 109.666 -179.489 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.02 -40.0 87.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.232 -0.918 . . . . 0.0 108.854 -179.221 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.704 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.2 tt -61.79 -48.8 78.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.068 -1.02 . . . . 0.0 109.186 178.67 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.75 -45.38 57.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.452 -0.78 . . . . 0.0 112.122 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -69.57 -39.99 77.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.783 -1.198 . . . . 0.0 112.341 -176.768 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.76 12.88 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.468 -0.77 . . . . 0.0 112.97 -176.574 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 16.4 tt0 -81.48 -9.65 59.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.158 -1.588 . . . . 0.0 108.888 -178.553 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.0 mt -133.79 57.0 1.82 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.282 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.0 p -60.02 -40.77 90.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.936 -1.103 . . . . 0.0 110.557 -179.011 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -132.9 -18.0 2.4 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.169 -0.957 . . . . 0.0 110.055 -179.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.53 ' CZ ' ' OE1' ' A' ' 4' ' ' GLU . 2.5 t80 -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.032 . . . . 0.0 109.415 -179.772 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.37 161.78 33.61 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.248 -0.908 . . . . 0.0 108.56 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.96 111.7 1.0 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.213 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.72 139.99 57.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 0.0 108.858 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.53 HG21 HG23 ' B' ' 53' ' ' VAL . 40.6 mm -69.9 141.93 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.731 -1.231 . . . . 0.0 108.841 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -15.81 14.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.446 -0.784 . . . . 0.0 111.297 -178.453 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.437 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 85.8 tt0 -149.96 150.25 31.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.564 -1.335 . . . . 0.0 110.048 -179.551 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.456 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.3 mm100 -60.05 -33.19 71.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.58 -0.7 . . . . 0.0 110.982 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 20.7 pt-20 -60.03 -37.29 79.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 0.0 110.757 -177.87 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.19 -40.02 82.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 120.843 -1.16 . . . . 0.0 108.573 -179.837 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.53 HG23 HG21 ' B' ' 47' ' ' ILE . 66.8 t -64.09 -38.76 83.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.475 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.81 -38.32 90.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.561 -0.712 . . . . 0.0 109.871 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.71 -40.01 91.8 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.45 -33.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.297 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -70.02 -27.58 64.79 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.592 -179.939 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 119.814 -1.804 . . . . 0.0 106.398 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.0 m -81.65 -39.98 23.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.907 -0.495 . . . . 0.0 110.632 178.753 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.76 -17.55 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.166 -0.959 . . . . 0.0 110.594 -177.658 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 62.0 t0 -80.96 63.86 5.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 178.371 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.74 -39.99 86.58 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.452 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 47.4 p-10 -84.68 -1.06 55.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.997 -1.065 . . . . 0.0 109.511 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.18 34.74 90.77 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 120.099 -1.048 . . . . 0.0 111.031 178.641 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.2 p-10 -104.48 1.17 29.65 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.043 -1.269 . . . . 0.0 109.655 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.539 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.48 7.89 85.58 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.408 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.6 mt-10 -137.47 138.31 39.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.903 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 15.6 p -102.12 128.74 48.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.049 -1.032 . . . . 0.0 108.982 179.386 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -80.03 170.0 17.07 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.473 -0.767 . . . . 0.0 110.43 -178.742 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -54.16 -39.99 67.05 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.796 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.23 -39.37 82.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.288 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.7 mt-10 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.524 -1.36 . . . . 0.0 109.518 -179.823 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.421 ' O ' HG23 ' B' ' 77' ' ' VAL . 55.4 t80 -70.0 -25.01 63.4 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.147 -0.971 . . . . 0.0 108.449 179.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.01 -39.71 86.72 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.052 0.929 . . . . 0.0 108.656 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.33 76.82 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.042 -1.036 . . . . 0.0 110.151 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HB2' HD11 ' B' ' 60' ' ' LEU . 91.5 t80 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.092 -1.005 . . . . 0.0 110.492 179.75 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.46 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -59.97 -37.68 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.452 -0.78 . . . . 0.0 109.754 -178.881 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.07 84.2 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.033 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.9 mtp -60.28 -47.1 87.47 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.595 -0.691 . . . . 0.0 112.241 -179.487 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' B' ' 76' ' ' PHE . 7.4 t -73.69 -28.72 25.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 120.958 -1.089 . . . . 0.0 110.36 -178.342 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.122 -0.986 . . . . 0.0 108.564 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -40.05 85.93 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.758 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.57 72.11 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.02 -37.82 80.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.658 -0.651 . . . . 0.0 109.673 179.496 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -60.04 -39.93 87.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.232 -179.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.51 -29.36 66.97 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.272 -0.893 . . . . 0.0 109.395 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -86.58 -24.83 25.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 108.56 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.367 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.818 0.818 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.587 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 36.1 t-80 -60.09 -37.83 81.12 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.019 -1.051 . . . . 0.0 108.398 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -57.4 -32.28 66.69 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 31.2 mtmm -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.666 -1.271 . . . . 0.0 108.818 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . 0.63 HD23 ' O ' ' X' ' 108' ' ' LEU . 1.4 tt -69.97 -29.29 66.36 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.148 -0.97 . . . . 0.0 109.309 179.664 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -61.71 -24.62 66.9 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.545 -1.347 . . . . 0.0 109.734 179.595 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -50.84 -26.13 5.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.585 -1.322 . . . . 0.0 108.263 -179.781 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.566 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.4 tppt? -76.77 -40.05 49.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.707 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 47.8 p -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.632 179.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.528 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 37.7 t-80 -59.97 -37.69 80.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.083 -1.01 . . . . 0.0 108.413 179.015 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.63 -32.35 67.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.51 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 31.3 mtmm -59.95 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.605 -1.31 . . . . 0.0 108.921 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . 0.647 HD23 ' O ' ' Y' ' 108' ' ' LEU . 1.5 tt -70.01 -29.22 66.23 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.188 -0.945 . . . . 0.0 109.261 179.6 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -61.55 -24.64 66.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.517 -1.365 . . . . 0.0 109.777 179.514 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -50.91 -26.12 5.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.604 -1.31 . . . . 0.0 108.285 -179.66 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.567 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -76.86 -40.06 48.96 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.789 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 52.7 p -60.02 -33.37 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.32 -0.952 . . . . 0.0 108.647 179.596 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.451 ' CA ' ' OE2' ' B' ' 39' ' ' GLU . 3.9 t 61.0 21.73 12.04 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.454 -0.779 . . . . 0.0 109.561 -179.927 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.89 -6.5 49.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.43 -0.793 . . . . 0.0 109.214 179.366 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' GLU . 25.1 tp -42.49 -23.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.719 . . . . 0.0 110.277 -178.785 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLU . 85.6 tt0 -69.91 -39.31 76.26 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.995 -1.066 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -74.93 -32.96 61.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.789 -1.195 . . . . 0.0 109.296 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -45.17 72.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.36 -0.837 . . . . 0.0 110.742 -178.629 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.15 -39.92 91.9 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.181 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.07 -35.81 75.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.504 -0.747 . . . . 0.0 109.739 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.7 -36.15 78.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.397 -0.814 . . . . 0.0 111.217 -178.46 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.97 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.679 -1.263 . . . . 0.0 107.998 -179.355 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.43 -39.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.749 -0.594 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.14 -48.86 79.94 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.869 -1.144 . . . . 0.0 112.28 -178.379 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.01 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.014 -1.053 . . . . 0.0 110.773 -177.816 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 88.9 t80 -58.66 -36.91 74.9 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.926 -1.109 . . . . 0.0 109.575 -178.916 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -69.44 -26.23 64.5 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 110.199 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.98 -42.8 94.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.552 -1.343 . . . . 0.0 110.573 -179.142 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 70.1 m-85 -95.52 -28.99 14.61 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.76 -1.213 . . . . 0.0 112.435 -178.804 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.523 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 50.3 m -60.01 -40.03 87.88 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 120.925 -1.109 . . . . 0.0 109.189 -178.403 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.15 4.52 83.15 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.796 -1.414 . . . . 0.0 110.629 -178.628 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -101.93 0.37 35.24 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.061 -1.024 . . . . 0.0 108.861 179.501 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.64 -3.22 59.1 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 26' ' ' LYS . 68.8 m-20 -82.3 68.11 8.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.919 -1.342 . . . . 0.0 108.324 179.284 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -69.38 -36.02 76.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 110.227 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -77.83 -20.03 53.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 111.233 -178.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.7 pttt -143.8 159.05 43.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.851 -1.156 . . . . 0.0 109.945 -179.068 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 tp -118.14 130.12 55.93 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 63.4 tttp -99.15 144.37 28.36 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 -179.63 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.2 pttm -41.08 -22.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.783 0.801 . . . . 0.0 109.618 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 t -72.11 -55.52 7.18 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.405 0.621 . . . . 0.0 109.617 -179.458 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 17' ' ' TYR . 68.5 mt-10 -62.72 -34.06 76.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.34 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.08 -44.76 94.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.654 -0.654 . . . . 0.0 109.603 -179.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.95 -39.97 96.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.283 -0.885 . . . . 0.0 110.398 179.681 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.19 69.27 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.091 -1.005 . . . . 0.0 109.11 -178.444 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.9 -44.47 63.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.909 -1.119 . . . . 0.0 108.912 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.68 -48.67 63.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.708 -178.296 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.68 -30.66 52.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 112.096 -178.616 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -40.36 8.4 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.099 -1.0 . . . . 0.0 112.893 -177.504 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 7.4 tp10 -87.45 -19.45 27.99 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.29 -1.506 . . . . 0.0 110.711 -177.675 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.9 mt -116.97 48.4 1.32 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 89.5 p -60.1 -40.32 89.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.511 -0.743 . . . . 0.0 111.538 -178.319 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -129.69 -20.63 3.19 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.023 -1.048 . . . . 0.0 110.54 -179.123 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.7 -38.06 89.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.027 -1.046 . . . . 0.0 109.888 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.0 tp -138.71 155.35 48.31 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.046 -1.034 . . . . 0.0 108.221 179.453 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' HE ' ' X' ' 104' ' ' ARG . 87.5 tt0 -61.0 113.87 2.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.67 -1.269 . . . . 0.0 108.667 179.725 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.66 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -67.88 176.95 2.31 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.584 -0.697 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.01 135.41 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -101.73 -20.91 14.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.478 -0.764 . . . . 0.0 110.465 -177.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -117.98 140.09 50.24 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.302 -0.874 . . . . 0.0 110.206 -179.323 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.616 ' NE2' ' N ' ' A' ' 51' ' ' GLU . 2.9 pp0? -71.15 -18.77 62.49 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.522 -0.736 . . . . 0.0 110.009 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.616 ' N ' ' NE2' ' A' ' 50' ' ' GLN . 8.4 pt-20 -65.99 -39.56 90.43 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.011 -1.055 . . . . 0.0 109.661 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.5 t -60.04 -39.91 81.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.681 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.61 -40.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.52 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -61.69 -40.0 93.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.397 -0.814 . . . . 0.0 109.914 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 63.1 tttm -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -179.743 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 t -64.91 -31.63 54.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.5 mmm -70.06 -33.2 71.62 Favored 'General case' 0 C--O 1.195 -1.769 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.79 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.38 -39.07 75.26 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.051 -1.656 . . . . 0.0 107.084 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -73.93 -46.29 45.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.746 -0.596 . . . . 0.0 110.859 179.291 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.2 mt -89.47 -13.03 38.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.175 -178.359 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.1 t0 -79.88 58.54 2.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.25 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 63.2 mt-10 -59.62 -31.85 69.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 75.6 m-20 -77.89 -10.32 59.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.853 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.15 30.05 72.73 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 179.536 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 46.2 p-10 -108.49 9.42 27.5 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.216 -1.167 . . . . 0.0 110.212 -179.56 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.7 9.59 82.75 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.398 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 77.1 mt-10 -139.32 134.73 32.96 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 11.2 p -99.01 129.76 45.31 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.946 -1.097 . . . . 0.0 108.693 179.522 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 5.3 t70 -70.6 166.27 21.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.28 -0.888 . . . . 0.0 109.037 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 10.6 t80 -55.08 -39.9 69.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.024 -1.048 . . . . 0.0 108.925 -179.415 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.7 -35.23 80.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.824 -1.172 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 39.6 mt-10 -68.55 -40.09 80.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.049 -1.032 . . . . 0.0 110.284 -179.329 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -59.97 -39.45 85.7 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.678 -0.639 . . . . 0.0 110.471 -179.434 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.02 -32.55 73.84 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.602 -1.311 . . . . 0.0 110.385 -178.654 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.97 -38.32 82.2 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.098 -1.001 . . . . 0.0 110.123 179.647 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -63.7 -36.64 77.22 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 O-C-N 121.572 -0.705 . . . . 0.0 110.298 -178.526 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 19.1 p -65.85 -40.07 91.38 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.834 -177.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.414 ' HG2' ' H ' ' A' ' 79' ' ' MET . 19.0 ptm -75.27 -39.97 59.27 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.313 -178.376 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.61 -37.6 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.664 -1.272 . . . . 0.0 109.604 -179.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.03 87.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 108.954 -179.518 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.422 HG23 ' CE2' ' B' ' 70' ' ' PHE . 3.1 m -54.1 -36.69 63.48 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.03 92.21 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.809 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 m -59.65 -33.9 72.13 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.562 -0.711 . . . . 0.0 109.459 -179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.79 -41.03 90.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.03 -1.044 . . . . 0.0 108.683 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.05 -39.97 91.84 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.136 -0.978 . . . . 0.0 108.43 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.52 -40.03 70.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.304 -1.399 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.449 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 3.7 t 61.15 21.75 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 109.504 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -74.94 -6.37 48.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.485 -0.759 . . . . 0.0 109.189 179.412 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.9 tp -42.49 -23.99 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -178.78 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.6 tt0 -69.75 -39.24 76.87 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -74.89 -32.99 61.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 109.281 -179.163 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.23 72.91 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.375 -0.828 . . . . 0.0 110.728 -178.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 31.0 mtt -61.04 -40.01 91.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 110.222 -179.454 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.03 -35.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.516 -0.74 . . . . 0.0 109.802 -179.711 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.93 -36.03 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 111.326 -178.545 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.665 -1.272 . . . . 0.0 107.84 -179.448 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.23 -40.08 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.93 -48.76 80.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.817 -1.177 . . . . 0.0 112.402 -178.488 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -39.99 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.93 -1.106 . . . . 0.0 110.7 -177.798 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 89.4 t80 -58.61 -37.15 75.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.034 -1.041 . . . . 0.0 109.519 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -69.28 -26.21 64.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.968 -1.083 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.12 -42.23 94.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.576 -1.327 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 70.0 m-85 -96.05 -29.0 14.36 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.827 -1.17 . . . . 0.0 112.232 -178.795 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.494 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 52.1 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.009 -1.057 . . . . 0.0 109.263 -178.506 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.16 4.45 83.36 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.07 -49.88 75.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.733 -1.451 . . . . 0.0 110.674 -178.479 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -101.9 0.37 35.31 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 108.916 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.74 58.72 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 68.3 m-20 -82.07 68.31 8.41 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.92 -1.341 . . . . 0.0 108.5 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -69.49 -36.1 76.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.392 -0.818 . . . . 0.0 110.258 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -77.9 -19.9 53.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.226 -178.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' B' ' 23' ' ' ASP . 54.1 pttt -143.83 158.78 43.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.859 -1.151 . . . . 0.0 109.95 -179.032 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.86 130.19 56.1 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.562 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' B' ' 30' ' ' SER . 63.3 tttp -99.53 144.24 28.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.874 -1.141 . . . . 0.0 109.859 -179.702 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.1 pttm -40.92 -23.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.785 0.802 . . . . 0.0 109.566 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.532 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 47.4 t -72.24 -55.37 7.32 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.663 -179.374 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' B' ' 17' ' ' TYR . 67.6 mt-10 -62.77 -34.04 76.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.161 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.05 -45.01 94.26 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.705 -0.622 . . . . 0.0 109.521 -179.249 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.75 -39.97 95.8 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.27 -0.894 . . . . 0.0 110.416 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.09 69.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 109.131 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.8 -44.62 63.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.889 -1.132 . . . . 0.0 108.932 178.323 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.72 -48.55 64.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.81 -0.556 . . . . 0.0 110.671 -178.191 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.2 m-20 -77.63 -30.99 52.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.151 -0.968 . . . . 0.0 112.097 -178.482 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -40.05 8.56 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.1 -1.0 . . . . 0.0 112.848 -177.395 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' A' ' 1' ' ' SER . 6.9 tp10 -87.73 -19.32 27.75 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.369 -1.457 . . . . 0.0 110.741 -177.676 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 11.3 mt -116.92 48.05 1.37 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.71 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 95.0 p -60.05 -40.35 89.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.468 -0.77 . . . . 0.0 111.558 -178.231 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.51 -20.6 3.26 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.953 -1.092 . . . . 0.0 110.633 -179.126 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -63.93 -37.88 89.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.029 -1.044 . . . . 0.0 109.831 -179.276 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -138.83 155.26 48.28 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.486 ' HG2' ' HE ' ' Y' ' 104' ' ' ARG . 86.9 tt0 -60.86 114.09 2.86 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.663 -1.273 . . . . 0.0 108.577 179.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.685 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 0.4 OUTLIER -67.91 177.16 2.24 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.512 0.673 . . . . 0.0 109.979 179.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.444 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 91.0 mt -109.17 135.39 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -101.78 -21.0 14.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.784 . . . . 0.0 110.424 -177.783 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -117.79 139.98 50.32 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.621 ' NE2' ' N ' ' B' ' 51' ' ' GLU . 2.9 pp0? -71.17 -18.75 62.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.615 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.621 ' N ' ' NE2' ' B' ' 50' ' ' GLN . 8.0 pt-20 -65.93 -39.88 90.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.037 -1.039 . . . . 0.0 109.654 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 70.4 t -60.03 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.738 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.4 -39.93 84.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.571 179.595 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.85 -39.91 93.5 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.397 -0.814 . . . . 0.0 109.921 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.51 -39.99 92.5 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.02 -31.93 56.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.615 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -69.89 -33.17 71.85 Favored 'General case' 0 C--O 1.195 -1.767 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.811 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -57.48 -38.98 75.43 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 120.031 -1.668 . . . . 0.0 107.157 179.219 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -74.0 -46.18 45.22 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.817 -0.552 . . . . 0.0 110.829 179.314 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 40.9 mt -89.64 -13.06 37.88 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.026 -1.046 . . . . 0.0 111.239 -178.362 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -79.79 58.59 2.86 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.225 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 61.4 mt-10 -59.73 -31.82 69.97 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.424 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 75.1 m-20 -77.88 -10.49 59.6 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.41 29.93 72.9 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.581 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 46.1 p-10 -108.32 9.43 27.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.258 -1.142 . . . . 0.0 110.258 -179.66 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.442 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 74.51 9.91 82.21 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.356 -1.898 . . . . 0.0 108.356 -179.448 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 79.6 mt-10 -139.55 134.55 32.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 10.0 p -98.86 129.78 45.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.936 -1.102 . . . . 0.0 108.742 179.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 5.5 t70 -70.61 166.36 20.84 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 108.985 -179.191 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.4 t80 -55.15 -39.99 70.09 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.008 -1.058 . . . . 0.0 108.876 -179.468 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.81 -34.83 79.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.802 -1.186 . . . . 0.0 109.86 179.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 40.1 mt-10 -68.82 -40.11 79.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.989 -1.069 . . . . 0.0 110.225 -179.289 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.69 -35.7 80.77 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.695 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -59.96 -39.41 85.53 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.665 -0.647 . . . . 0.0 110.472 -179.253 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.92 -32.52 73.83 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.566 -1.334 . . . . 0.0 110.376 -178.632 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.06 -38.03 81.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -36.68 77.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 O-C-N 121.553 -0.717 . . . . 0.0 110.246 -178.615 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 20.2 p -65.69 -39.98 91.83 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.96 -178.11 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.445 ' H ' ' HG2' ' B' ' 79' ' ' MET . 19.7 ptm -75.52 -40.01 57.6 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.859 -1.151 . . . . 0.0 111.322 -178.385 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.44 -37.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.609 -1.307 . . . . 0.0 109.472 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.8 m -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.002 -179.44 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 70' ' ' PHE . 3.1 m -54.18 -36.61 63.6 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.84 91.78 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.857 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.4 m -59.97 -33.61 72.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.726 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -60.0 -40.7 90.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.004 -1.06 . . . . 0.0 108.636 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.22 -40.02 92.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.079 -1.013 . . . . 0.0 108.415 178.739 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.56 -39.75 70.45 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.777 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.303 -1.439 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' X' X ' 104' ' ' ARG . . . . . 0.418 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 41.3 ttt-85 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.035 0.445 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' X' X ' 105' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.7 p-80 -60.09 -39.24 85.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.91 -178.849 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' X' X ' 106' ' ' LYS . . . . . 0.611 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 2.1 tmtp? -59.98 -39.22 84.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 110.277 -179.238 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' X' X ' 107' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 18.6 mtpp -60.08 -40.02 88.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 0.0 110.807 -178.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -76.36 -27.15 56.33 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.83 -1.169 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' X' X ' 109' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.1 -24.55 63.05 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.763 -1.211 . . . . 0.0 108.964 -179.684 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' X' X ' 110' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' X' ' 107' ' ' LYS . 0.2 OUTLIER -51.45 -29.06 14.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.417 -1.427 . . . . 0.0 109.655 -179.233 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' X' X ' 111' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.5 -1.375 . . . . 0.0 107.585 176.351 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 41.2 p -60.94 -38.83 87.18 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.848 . . . . 0.0 . -179.451 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' Y' Y ' 104' ' ' ARG . . . . . 0.486 ' HE ' ' HG2' ' B' ' 45' ' ' GLU . 41.7 ttt-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.8 p-80 -60.02 -39.22 85.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.914 -1.116 . . . . 0.0 109.863 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' Y' Y ' 106' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 2.2 tmtp? -60.0 -39.36 85.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.24 -179.212 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' Y' Y ' 107' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 18.6 mtpp -59.9 -40.01 87.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.943 -1.098 . . . . 0.0 110.828 -178.888 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.56 -26.73 55.42 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.879 -1.138 . . . . 0.0 110.116 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' Y' Y ' 109' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.4 -24.58 63.58 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.799 -1.188 . . . . 0.0 108.976 -179.806 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' Y' Y ' 110' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' Y' ' 107' ' ' LYS . 0.2 OUTLIER -51.51 -29.14 15.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.433 -1.417 . . . . 0.0 109.577 -179.357 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' Y' Y ' 111' ' ' LYS . . . . . 0.462 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.5 OUTLIER -69.96 -40.3 75.51 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.418 -1.426 . . . . 0.0 107.669 176.42 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 40.8 p -60.15 -38.59 83.6 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.02 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.446 -0.784 . . . . 0.0 . -179.334 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 2' ' ' GLU . 59.3 ttm . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.18 19.99 0.36 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.188 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.506 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 21.3 pt-20 -76.22 26.4 0.12 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -63.73 -30.56 71.65 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.794 -1.192 . . . . 0.0 109.188 -179.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.8 -39.98 95.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.321 -0.862 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' A' ' 2' ' ' GLU . 47.6 pttt -73.85 -28.18 61.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.511 -1.368 . . . . 0.0 108.783 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.72 78.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.701 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -68.91 -39.78 79.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.94 -1.1 . . . . 0.0 109.217 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.04 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.565 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -38.88 67.73 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.253 -0.904 . . . . 0.0 110.214 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.595 HD12 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -59.22 -43.4 92.3 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -178.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.9 mt -69.92 -34.62 60.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.715 -0.616 . . . . 0.0 110.416 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 m-20 -60.01 -46.3 89.92 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.845 -1.159 . . . . 0.0 111.67 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -39.94 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.737 -1.227 . . . . 0.0 108.927 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 30.8 t80 -57.45 -38.37 74.33 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.97 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -66.63 -29.65 69.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 110.883 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.574 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -60.04 -41.88 93.24 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.871 -1.143 . . . . 0.0 110.414 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -90.52 -40.12 12.17 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.825 -1.172 . . . . 0.0 112.455 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.4 p -60.13 -41.33 92.47 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.83 -1.169 . . . . 0.0 110.39 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.19 -10.2 84.24 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.46 -47.15 87.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.17 -1.194 . . . . 0.0 109.429 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -114.6 172.52 6.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.724 0.773 . . . . 0.0 110.165 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -55.04 -32.98 56.98 Favored Glycine 0 N--CA 1.493 2.437 0 O-C-N 121.705 -0.622 . . . . 0.0 112.032 -178.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 26' ' ' LYS . 6.4 m-20 -70.03 62.83 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.309 -1.701 . . . . 0.0 109.801 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' GLY . 36.0 ttpt -61.77 -39.99 93.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.645 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 6.3 p80 -94.67 0.33 54.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -0.951 . . . . 0.0 110.916 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 23' ' ' ASP . 48.2 mtmt -141.54 154.83 45.71 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.961 -1.087 . . . . 0.0 109.785 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.55 132.2 56.21 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.489 -0.757 . . . . 0.0 109.05 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.8 tttp -98.29 147.27 24.82 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -43.99 -24.25 0.13 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.123 -0.985 . . . . 0.0 109.175 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LYS . 24.4 t -77.13 -50.41 13.07 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.15 -36.88 85.49 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.99 -40.37 88.92 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.596 -0.69 . . . . 0.0 109.399 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 109.79 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.78 -40.11 95.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.138 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.74 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.1 tm? -60.18 -49.86 75.95 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.831 -1.168 . . . . 0.0 108.361 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.63 -49.01 55.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 112.49 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -75.54 -48.12 23.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.614 -1.304 . . . . 0.0 112.62 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -78.61 -47.05 17.9 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 121.483 -0.761 . . . . 0.0 112.855 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.624 -1.297 . . . . 0.0 109.958 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.9 62.57 2.65 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.601 -0.687 . . . . 0.0 110.186 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -137.37 -18.51 1.28 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.255 -0.903 . . . . 0.0 110.423 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -61.39 -39.97 92.65 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.075 . . . . 0.0 110.238 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -129.41 158.79 38.17 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.91 111.94 1.86 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 109.536 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' NH1' ' X' ' 104' ' ' ARG . 34.6 mt-10 -53.58 156.86 2.39 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.864 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.37 128.4 46.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -101.0 -23.17 14.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.164 -0.96 . . . . 0.0 109.26 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 94.5 mt-10 -124.4 139.79 53.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 109.826 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -69.42 -19.78 63.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 109.013 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' OE2' HG21 ' X' ' 102' ' ' THR . 8.2 pt-20 -59.84 -35.48 74.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.905 -1.122 . . . . 0.0 109.183 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.13 -37.78 74.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 t -68.55 -33.36 59.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 61.5 t0 -65.39 -38.31 89.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.149 0.976 . . . . 0.0 109.502 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 65.6 tttm -69.88 -39.97 75.98 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 122.26 1.029 . . . . 0.0 108.521 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.0 t -67.61 -30.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -38.5 90.37 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.88 -39.89 72.18 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.385 -1.447 . . . . 0.0 107.549 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 m -78.6 -44.82 23.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.675 -0.641 . . . . 0.0 111.479 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.4 mt -89.73 -14.68 34.14 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.849 -1.157 . . . . 0.0 111.31 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.8 t0 -81.29 61.26 4.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -59.83 -40.04 87.12 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 -14.48 60.93 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.21 30.07 76.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -107.08 6.88 29.34 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.246 -1.15 . . . . 0.0 109.689 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.497 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.42 4.83 87.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -136.03 130.05 32.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.854 -0.792 . . . . 0.0 109.058 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 126.98 43.35 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.8 161.86 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.377 -0.827 . . . . 0.0 110.108 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -52.09 -31.95 32.84 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.094 -1.004 . . . . 0.0 109.209 -178.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.65 -38.14 80.21 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.421 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.5 mt-10 -68.46 -40.09 81.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.347 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.04 -37.52 82.88 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.428 -0.795 . . . . 0.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.595 ' SD ' HD12 ' A' ' 10' ' ' LEU . 75.6 mmm -60.01 -39.11 84.68 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.225 0.536 . . . . 0.0 110.607 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.2 67.83 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.937 -1.105 . . . . 0.0 111.252 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 80' ' ' VAL . 81.0 t80 -70.01 -23.1 63.07 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.948 -1.095 . . . . 0.0 110.261 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -32.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.2 -0.937 . . . . 0.0 109.85 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -72.11 -40.22 68.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.373 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm -70.36 -42.66 71.54 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.027 -1.046 . . . . 0.0 110.936 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 76' ' ' PHE . 24.5 t -64.95 -36.43 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.476 -1.39 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.8 m -59.81 -39.76 86.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.287 -0.883 . . . . 0.0 108.769 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.488 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.5 m -51.93 -41.98 62.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.3 82.22 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.45 -33.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.705 -0.622 . . . . 0.0 109.843 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -59.94 -41.07 91.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.827 -1.17 . . . . 0.0 108.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 52.6 mp0 -61.77 -39.03 90.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.953 -1.092 . . . . 0.0 108.96 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -81.67 -40.97 22.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.85 . . . . 0.0 110.018 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 31.2 t80 -95.14 67.92 3.07 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.31 103.29 10.98 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.67 0.748 . . . . 0.0 109.079 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.16 72.34 0.28 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.729 -0.607 . . . . 0.0 109.47 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.162 -0.961 . . . . 0.0 . -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.415 ' C ' ' N ' ' B' ' 2' ' ' GLU . 58.7 ttm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.466 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.48 19.98 0.43 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.13 -0.981 . . . . 0.0 109.219 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.442 ' OE1' ' NZ ' ' B' ' 5' ' ' LYS . 21.6 pt-20 -76.01 25.59 0.12 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -63.0 -30.85 71.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.823 -1.173 . . . . 0.0 109.16 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.61 -40.01 95.58 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.262 -0.899 . . . . 0.0 111.821 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.442 ' NZ ' ' OE1' ' B' ' 2' ' ' GLU . 48.7 pttt -73.84 -28.14 61.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.525 -1.359 . . . . 0.0 108.804 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -39.26 77.75 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.645 -0.659 . . . . 0.0 110.784 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 25.7 mtt -68.87 -39.87 79.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.919 -1.113 . . . . 0.0 109.137 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.0 -35.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 119.804 -0.759 . . . . 0.0 110.566 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.99 -38.44 66.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.585 HD12 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -59.54 -43.05 93.6 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.93 -34.98 62.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.739 -0.601 . . . . 0.0 110.349 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.503 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 99.1 m-20 -59.98 -46.24 90.1 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.934 -1.104 . . . . 0.0 111.68 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -39.96 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.759 -1.213 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 28.7 t80 -57.76 -37.99 74.61 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.027 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.95 -29.15 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.725 -1.234 . . . . 0.0 110.791 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.581 ' OE1' ' N ' ' B' ' 16' ' ' GLN . 0.3 OUTLIER -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.791 -1.193 . . . . 0.0 110.487 -179.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -90.48 -40.06 12.23 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.86 -1.15 . . . . 0.0 112.371 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 p -60.23 -41.21 92.64 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.68 -1.262 . . . . 0.0 110.429 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.97 -10.34 83.94 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.74 -46.8 89.06 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.171 -1.194 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.9 172.51 7.0 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.685 0.755 . . . . 0.0 110.127 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -54.99 -32.76 56.66 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.644 -0.66 . . . . 0.0 111.995 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 6.5 m-20 -70.09 62.83 0.22 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.311 -1.699 . . . . 0.0 109.847 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.6 ttpt -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.163 -0.961 . . . . 0.0 110.358 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.623 ' H ' ' CD2' ' B' ' 25' ' ' HIS . 6.2 p80 -94.77 0.31 54.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.173 -0.955 . . . . 0.0 110.816 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 49.1 mtmt -141.53 154.86 45.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.986 -1.071 . . . . 0.0 109.824 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.64 131.81 56.18 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.54 -0.725 . . . . 0.0 109.098 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.7 tttp -98.01 147.26 24.69 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 57.3 pttt -43.99 -24.11 0.13 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 22.8 t -77.2 -50.51 12.79 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.13 -36.96 85.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.07 -40.15 88.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.678 -0.639 . . . . 0.0 109.439 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.17 -40.03 88.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.63 -40.17 96.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 109.26 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.16 -49.68 76.68 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.846 -1.159 . . . . 0.0 108.449 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -70.84 -48.91 54.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.558 -0.714 . . . . 0.0 112.495 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.82 -47.97 23.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.654 -1.279 . . . . 0.0 112.603 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.69 -47.01 17.78 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.443 -0.786 . . . . 0.0 112.848 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -69.63 -40.04 76.79 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.534 -1.354 . . . . 0.0 109.858 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.62 62.57 2.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -60.09 -40.13 88.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -137.13 -18.88 1.3 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.23 -0.919 . . . . 0.0 110.506 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.99 -39.87 91.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 110.279 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.57 158.89 38.02 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.97 -1.081 . . . . 0.0 109.526 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.553 ' O ' ' NH1' ' Y' ' 104' ' ' ARG . 30.4 mt-10 -53.47 156.62 2.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.66 0.743 . . . . 0.0 110.003 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' Y' ' 104' ' ' ARG . 5.8 mm -95.15 128.85 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -101.38 -23.11 14.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.21 -0.931 . . . . 0.0 109.384 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 94.7 mt-10 -124.54 140.01 53.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.678 -0.639 . . . . 0.0 109.666 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.89 -19.52 63.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.363 -0.836 . . . . 0.0 108.834 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.437 ' OE2' HG21 ' Y' ' 102' ' ' THR . 8.4 pt-20 -59.82 -35.44 74.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.957 -1.089 . . . . 0.0 109.159 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.08 -37.79 74.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 32.1 t -68.38 -33.52 60.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 61.4 t0 -65.44 -38.24 89.27 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.083 0.944 . . . . 0.0 109.51 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.613 ' NZ ' ' SD ' ' Y' ' 109' ' ' MET . 64.4 tttm -70.01 -39.95 75.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 122.3 1.048 . . . . 0.0 108.385 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.6 -30.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.595 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.57 -38.3 89.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.77 -39.98 71.98 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 120.409 -1.432 . . . . 0.0 107.52 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 m -78.8 -44.81 22.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.759 -0.588 . . . . 0.0 111.538 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 29.3 mt -89.59 -14.87 34.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.907 -1.121 . . . . 0.0 111.238 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.7 t0 -81.25 61.38 4.74 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -74.53 -14.16 60.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.14 29.96 75.95 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -107.05 6.92 29.44 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.177 -1.19 . . . . 0.0 109.659 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.09 5.11 86.98 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.84 129.68 32.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.752 -0.852 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.48 127.04 43.12 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -73.01 161.83 30.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 0.0 110.024 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.42 ' HB2' ' CZ ' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -52.07 -31.95 32.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.079 -1.013 . . . . 0.0 109.234 -178.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.79 -37.67 79.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.803 -1.186 . . . . 0.0 108.448 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 41.7 mt-10 -68.74 -40.15 79.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.081 -1.012 . . . . 0.0 109.179 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.78 -37.81 83.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.488 -0.757 . . . . 0.0 109.876 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.585 ' SD ' HD12 ' B' ' 10' ' ' LEU . 76.3 mmm -59.94 -39.03 84.11 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.216 0.531 . . . . 0.0 110.649 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.92 67.3 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.155 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.543 ' O ' HG23 ' B' ' 80' ' ' VAL . 77.9 t80 -69.96 -23.49 63.18 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.98 -1.075 . . . . 0.0 110.265 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.52 -32.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.231 -0.918 . . . . 0.0 109.808 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -72.1 -40.11 68.41 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 110.394 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.8 ptm -70.56 -42.01 71.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.879 -1.138 . . . . 0.0 111.129 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 76' ' ' PHE . 23.9 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.554 -1.341 . . . . 0.0 109.135 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 39.2 m -59.78 -39.5 85.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -0.875 . . . . 0.0 108.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.494 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.8 m -52.0 -42.13 62.75 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.05 82.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.58 -33.21 71.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -59.89 -40.96 90.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.76 -1.212 . . . . 0.0 108.93 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' B' ' 82' ' ' THR . 53.1 mp0 -62.0 -38.93 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.974 -1.079 . . . . 0.0 108.894 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -81.8 -40.7 22.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.981 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 30.4 t80 -95.21 67.64 3.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.17 103.42 10.95 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.449 -0.782 . . . . 0.0 109.067 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.26 72.35 0.29 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.762 -0.586 . . . . 0.0 109.552 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.897 . . . . 0.0 . -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -89.63 0.92 56.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.055 -1.028 . . . . 0.0 109.853 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.611 ' N ' HD12 ' X' ' 94' ' ' LEU . 8.2 mp -69.68 144.54 52.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.527 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -103.75 113.73 27.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.374 -0.828 . . . . 0.0 109.666 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -62.5 -40.04 95.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.17 -0.956 . . . . 0.0 110.05 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp 55.78 49.44 16.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.531 -0.731 . . . . 0.0 109.988 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.95 152.54 43.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.2 -0.937 . . . . 0.0 109.605 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' X' ' 100' ' ' GLN . . . 88.96 -155.18 25.2 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' X' ' 99' ' ' GLY . 25.9 mt-30 57.19 116.4 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.806 -0.82 . . . . 0.0 110.1 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.478 ' O ' ' N ' ' X' ' 103' ' ' SER . 50.3 m -56.34 -30.13 62.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 109.405 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.538 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 7.9 m -41.52 -24.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.627 . . . . 0.0 109.959 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.478 ' N ' ' O ' ' X' ' 101' ' ' SER . 9.4 t -47.61 -26.72 1.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 109.572 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 46' ' ' GLU . 2.9 ptm180 -46.16 -32.59 3.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.86 . . . . 0.0 109.596 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 22.0 p-80 -60.16 -39.94 88.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 108.905 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 78.9 tttt -59.91 -31.68 70.05 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.468 -0.77 . . . . 0.0 109.43 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 7.7 ttpm? -59.86 -40.14 87.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.179 . . . . 0.0 108.866 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.15 -24.85 58.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 55' ' ' LYS . 26.7 mmt -60.4 -24.8 65.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.806 -1.184 . . . . 0.0 110.297 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -53.9 -26.24 24.1 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.526 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.9 tppt? -72.7 -41.96 64.73 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.308 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -60.18 -35.31 75.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.462 -0.774 . . . . 0.0 109.631 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 . -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -89.74 1.04 56.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.986 -1.071 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.575 ' N ' HD12 ' Y' ' 94' ' ' LEU . 8.5 mp -69.74 144.25 52.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.923 . . . . 0.0 109.437 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.97 113.86 27.7 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.378 -0.826 . . . . 0.0 109.642 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 52.4 m -62.37 -39.98 94.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 109.945 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 55.76 49.36 16.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.329 -0.857 . . . . 0.0 110.032 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -70.9 152.51 43.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.213 -0.929 . . . . 0.0 109.655 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' Y' ' 100' ' ' GLN . . . 88.87 -155.1 25.22 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' Y' ' 99' ' ' GLY . 26.2 mt-30 57.4 116.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.826 -0.808 . . . . 0.0 110.178 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.482 ' O ' ' N ' ' Y' ' 103' ' ' SER . 53.9 m -56.17 -30.41 62.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.313 -0.867 . . . . 0.0 109.405 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.541 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 7.5 m -41.35 -24.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.678 -0.639 . . . . 0.0 110.102 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.482 ' N ' ' O ' ' Y' ' 101' ' ' SER . 10.2 t -47.72 -26.36 1.54 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' B' ' 46' ' ' GLU . 2.7 ptm180 -46.37 -32.54 3.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 21.1 p-80 -60.02 -40.12 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.147 -0.971 . . . . 0.0 108.951 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.544 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 78.7 tttt -59.9 -31.62 69.98 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.445 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.429 ' HZ3' ' HB3' ' Y' ' 107' ' ' LYS . 7.6 ttpm? -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.909 -1.119 . . . . 0.0 108.868 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.5 tp -75.31 -24.9 57.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.0 109.315 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.613 ' SD ' ' NZ ' ' B' ' 55' ' ' LYS . 24.6 mmt -60.21 -24.76 65.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.805 -1.185 . . . . 0.0 110.265 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -54.01 -26.33 25.68 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -72.41 -42.4 65.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.8 p -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.48 -0.762 . . . . 0.0 109.719 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 . -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 3' ' ' LEU . 6.3 m 59.76 22.26 11.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.519 -0.738 . . . . 0.0 110.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -76.32 15.52 0.58 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 108.796 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 1' ' ' SER . 59.3 tp -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.616 -0.677 . . . . 0.0 110.303 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.839 -1.163 . . . . 0.0 110.356 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.7 mppt? -71.59 -39.66 70.41 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.248 -0.907 . . . . 0.0 110.281 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.32 83.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.045 -1.035 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.37 -40.0 95.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.165 -0.959 . . . . 0.0 109.945 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -66.47 -37.84 80.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.58 94.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.951 -0.468 . . . . 0.0 111.702 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.651 -1.281 . . . . 0.0 108.129 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -67.59 -37.66 79.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 O-C-N 121.642 -0.661 . . . . 0.0 111.008 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.18 -40.59 86.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.682 -1.261 . . . . 0.0 111.818 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -40.67 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 70' ' ' PHE . 83.3 t80 -60.03 -39.97 87.7 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.21 -0.931 . . . . 0.0 109.846 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -64.12 -28.64 69.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.868 -1.145 . . . . 0.0 110.594 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -59.99 -42.7 94.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.809 -1.182 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.19 -40.71 12.69 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.858 -1.151 . . . . 0.0 112.539 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.843 -1.161 . . . . 0.0 110.403 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.81 83.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -60.02 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.046 -1.267 . . . . 0.0 109.889 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.74 -73.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.248 -0.908 . . . . 0.0 109.108 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.97 -24.32 0.05 OUTLIER Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.317 -1.421 . . . . 0.0 110.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -80.67 84.34 6.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.803 -1.41 . . . . 0.0 109.562 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.04 -39.2 75.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.57 -0.706 . . . . 0.0 110.068 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.42 -0.57 57.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.227 -0.921 . . . . 0.0 110.703 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 20.4 ttpp -148.17 155.25 41.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.768 -1.208 . . . . 0.0 110.016 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.41 136.52 54.12 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 62.2 tttp -106.63 153.24 22.66 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.998 -1.063 . . . . 0.0 110.295 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -23.16 0.37 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 108.689 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 99.0 p -76.88 -48.22 18.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.05 -35.82 78.87 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 tp -60.03 -43.53 95.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.74 -0.6 . . . . 0.0 109.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 65.0 tttm -61.79 -40.0 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.869 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.5 -33.63 74.48 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.963 -1.086 . . . . 0.0 108.774 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 39' ' ' GLU . 4.1 tt -66.0 -51.89 54.29 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.086 -1.009 . . . . 0.0 108.998 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' N ' HD23 ' A' ' 35' ' ' LEU . 94.8 mt -70.03 -42.84 79.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.188 -0.945 . . . . 0.0 111.571 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.552 ' C ' HD22 ' A' ' 38' ' ' ASN . 19.0 t-20 -70.1 -40.01 75.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 112.171 -178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.667 ' N ' HD22 ' A' ' 38' ' ' ASN . 1.5 m120 -98.23 -39.95 8.6 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.299 -0.876 . . . . 0.0 112.498 -176.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 70.4 tt0 -70.03 -33.99 72.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.565 -1.335 . . . . 0.0 108.236 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mt -119.87 40.97 3.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.918 -0.489 . . . . 0.0 110.002 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -60.49 -51.21 70.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.981 -1.075 . . . . 0.0 110.351 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.42 -22.85 12.13 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.342 -0.849 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.96 -29.72 66.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.983 -1.073 . . . . 0.0 110.56 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.0 tp -136.02 -144.54 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.119 -0.988 . . . . 0.0 109.221 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -95.12 109.77 21.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 110.229 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.16 147.32 53.24 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.415 HG21 HG23 ' A' ' 53' ' ' VAL . 6.4 mt -95.17 142.35 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.026 -1.046 . . . . 0.0 109.798 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 -18.98 11.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.732 -0.605 . . . . 0.0 110.143 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -130.1 148.15 51.92 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.275 -0.891 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.5 mm100 -69.72 -24.9 63.63 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 7.7 pt-20 -60.74 -40.0 90.8 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.54 -0.725 . . . . 0.0 111.213 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' X' ' 105' ' ' HIS . 64.9 t -60.56 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.047 -1.033 . . . . 0.0 108.948 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.415 HG23 HG21 ' A' ' 47' ' ' ILE . 64.7 t -65.72 -40.01 86.55 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.537 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.5 -40.07 90.02 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.504 -0.748 . . . . 0.0 110.046 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.8 -39.98 87.95 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.9 -31.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 85.2 mmm -69.98 -30.5 67.86 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 119.449 -0.901 . . . . 0.0 109.034 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -57.3 -39.53 75.95 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.081 -1.637 . . . . 0.0 106.839 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -76.69 -45.16 30.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.756 -0.59 . . . . 0.0 111.381 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 mt -87.96 -16.94 32.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.834 -1.166 . . . . 0.0 110.691 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.0 t0 -79.66 60.53 3.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.66 -39.28 80.18 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.09 -15.87 63.05 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.92 31.79 81.98 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 8.9 p-10 -107.61 7.69 28.76 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.219 -1.165 . . . . 0.0 110.354 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 1.0 87.02 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 14.2 pt-20 -140.33 145.83 37.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.37 139.49 49.43 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.01 170.01 17.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.351 -0.843 . . . . 0.0 109.534 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 15.3 t80 -52.88 -40.63 63.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.028 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.13 -0.981 . . . . 0.0 110.614 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.49 -39.98 92.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.545 -1.347 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.45 -33.05 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.251 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 76.8 mmm -59.84 -36.68 77.34 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.754 -0.591 . . . . 0.0 109.434 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.52 72.47 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.899 -1.126 . . . . 0.0 110.471 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.97 -39.96 87.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.919 -1.113 . . . . 0.0 109.075 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.98 -37.95 74.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-O 121.208 0.528 . . . . 0.0 110.088 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -64.46 -39.98 94.85 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.253 -0.904 . . . . 0.0 109.288 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.0 mtp -67.22 -46.01 75.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.699 -0.625 . . . . 0.0 112.022 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 46.4 t -69.31 -34.15 61.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.825 -1.172 . . . . 0.0 110.277 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -60.76 -40.02 90.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 108.749 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -54.25 -34.65 61.25 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.704 ' HB2' ' HZ2' ' X' ' 111' ' ' LYS . . . -60.12 -40.34 89.39 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.138 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.8 m -59.97 -34.83 73.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.529 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.67 -39.72 81.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.0 109.198 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -40.02 87.82 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.195 -0.941 . . . . 0.0 108.521 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.85 -39.97 16.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.192 -0.943 . . . . 0.0 109.796 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.2 66.6 3.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.255 -0.903 . . . . 0.0 108.821 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.46 100.42 8.5 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -60.03 -41.42 92.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.434 -0.792 . . . . 0.0 109.373 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 0.0 . 179.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.248 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 3' ' ' LEU . 6.6 m 59.8 21.99 10.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.436 -0.79 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.12 15.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.246 -0.909 . . . . 0.0 108.825 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.9 tp -59.98 -31.63 70.07 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.572 -0.705 . . . . 0.0 110.156 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.01 -40.02 87.79 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.776 -1.203 . . . . 0.0 110.297 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.7 mppt? -71.52 -39.63 70.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.343 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.17 83.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.072 -1.017 . . . . 0.0 111.042 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.1 mtt -62.4 -40.03 95.19 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 110.006 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.38 -38.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.86 95.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.953 -0.467 . . . . 0.0 111.777 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.96 -40.02 87.63 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.497 -1.377 . . . . 0.0 108.128 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -67.43 -37.74 79.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 O-C-N 121.68 -0.638 . . . . 0.0 111.004 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -67.12 -40.56 86.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.603 -1.311 . . . . 0.0 111.924 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -40.72 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.02 -1.05 . . . . 0.0 110.17 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.416 ' CD2' ' CD1' ' B' ' 70' ' ' PHE . 83.1 t80 -59.98 -39.94 87.43 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.163 -0.961 . . . . 0.0 109.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -64.34 -28.36 69.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.875 -1.14 . . . . 0.0 110.549 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -60.07 -42.69 95.11 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 110.217 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -89.27 -40.65 12.68 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 112.617 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -60.08 -40.03 88.13 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.818 -1.176 . . . . 0.0 110.369 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.4 -10.88 82.92 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.93 -48.95 79.62 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.106 -1.232 . . . . 0.0 109.843 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -85.8 -73.5 0.45 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.219 -0.926 . . . . 0.0 109.152 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.56 -25.09 0.05 OUTLIER Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.385 -1.388 . . . . 0.0 110.474 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -80.41 84.43 6.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.849 -1.383 . . . . 0.0 109.683 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -70.05 -39.05 75.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.545 -0.722 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -88.61 -0.4 57.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.209 -0.932 . . . . 0.0 110.73 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 20.7 ttpp -148.41 155.09 40.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.805 -1.184 . . . . 0.0 109.987 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 tp -124.32 136.65 54.27 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' B' ' 30' ' ' SER . 61.8 tttp -106.78 153.28 22.7 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.001 -1.062 . . . . 0.0 110.251 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -23.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.048 -1.033 . . . . 0.0 108.679 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.408 ' N ' ' C ' ' B' ' 28' ' ' LYS . 93.7 p -76.82 -48.43 18.55 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.53 -36.17 80.48 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 41.1 tp -60.0 -43.55 95.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.807 -0.558 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 65.2 tttm -61.81 -40.02 93.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.089 -1.007 . . . . 0.0 110.911 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -68.34 -33.81 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.937 -1.102 . . . . 0.0 108.729 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' B' ' 39' ' ' GLU . 3.9 tt -65.89 -51.95 54.28 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.058 -1.027 . . . . 0.0 108.977 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.401 ' N ' HD23 ' B' ' 35' ' ' LEU . 91.0 mt -70.03 -42.68 79.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.15 -0.969 . . . . 0.0 111.648 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.571 ' C ' HD22 ' B' ' 38' ' ' ASN . 18.8 t-20 -70.11 -39.96 75.2 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 112.236 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.674 ' N ' HD22 ' B' ' 38' ' ' ASN . 1.5 m120 -98.28 -39.95 8.58 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.323 -0.861 . . . . 0.0 112.54 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' B' ' 35' ' ' LEU . 74.9 tt0 -70.01 -34.14 72.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.455 -1.403 . . . . 0.0 108.191 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.9 41.05 3.27 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.967 -0.458 . . . . 0.0 110.005 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 t -60.6 -51.0 71.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.032 -1.042 . . . . 0.0 110.287 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -108.66 -22.58 12.18 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.352 -0.842 . . . . 0.0 110.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.95 -30.05 67.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.513 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.466 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.4 tp -135.69 -144.27 0.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.152 -0.968 . . . . 0.0 109.191 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.466 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -95.22 109.62 21.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.07 147.35 53.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.404 HG21 HG23 ' B' ' 53' ' ' VAL . 8.5 mt -95.2 142.16 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.044 -1.035 . . . . 0.0 109.937 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -19.5 11.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.732 -0.605 . . . . 0.0 110.27 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.04 148.41 51.88 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.305 -0.872 . . . . 0.0 110.702 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 7.5 mm100 -69.69 -24.86 63.64 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 7.9 pt-20 -60.69 -40.08 90.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 111.244 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 68.3 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.905 -1.122 . . . . 0.0 108.836 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.404 HG23 HG21 ' B' ' 47' ' ' ILE . 65.5 t -65.76 -39.95 86.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.583 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.59 -39.95 89.96 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.525 -0.735 . . . . 0.0 110.003 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -66.98 -39.97 87.31 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.0 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.613 ' O ' ' N ' ' B' ' 61' ' ' ASP . 85.5 mmm -70.07 -30.34 67.56 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.438 -0.905 . . . . 0.0 108.983 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -57.45 -39.44 76.32 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.055 -1.653 . . . . 0.0 106.805 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.8 m -76.8 -45.01 30.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 mt -88.0 -17.03 32.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.862 -1.149 . . . . 0.0 110.764 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.3 t0 -79.74 60.57 3.44 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.67 -39.2 79.97 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.03 -16.15 63.12 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.21 31.74 81.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 8.0 p-10 -107.61 7.63 28.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -1.152 . . . . 0.0 110.286 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.04 1.07 87.24 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 14.3 pt-20 -140.42 145.93 37.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.56 139.59 49.46 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -78.09 169.79 17.69 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.503 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.416 ' CD1' ' CD2' ' B' ' 14' ' ' PHE . 15.4 t80 -52.63 -40.84 63.18 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 121.247 -0.908 . . . . 0.0 109.011 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.78 -40.06 95.74 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.129 -0.982 . . . . 0.0 110.634 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.52 -39.97 92.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.511 -1.368 . . . . 0.0 109.631 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -66.17 -33.14 75.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 109.314 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.94 -36.7 77.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.625 -0.672 . . . . 0.0 109.444 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -32.57 72.65 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.461 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' CE2' HG21 ' B' ' 80' ' ' VAL . 82.0 t80 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.879 -1.138 . . . . 0.0 109.07 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.402 HG23 ' H ' ' B' ' 77' ' ' VAL . 1.5 t -59.99 -37.86 74.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.222 0.534 . . . . 0.0 110.038 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.1 t -64.52 -39.99 94.8 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.0 mtp -66.99 -46.14 75.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.739 -0.601 . . . . 0.0 112.219 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' B' ' 83' ' ' ALA . 46.6 t -69.52 -34.0 59.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 O-C-N 120.911 -1.118 . . . . 0.0 110.219 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.88 -40.0 91.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.3 -0.875 . . . . 0.0 108.703 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -54.34 -34.8 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -60.04 -40.25 88.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.156 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 78.5 m -60.01 -34.93 74.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 109.551 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.64 -39.58 80.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.01 -39.96 87.6 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.22 -0.925 . . . . 0.0 108.621 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.96 -39.92 16.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 109.73 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.21 66.65 3.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.238 -0.914 . . . . 0.0 108.838 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -80.48 100.22 8.42 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.99 -41.23 91.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.41 -0.806 . . . . 0.0 109.444 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 . 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.482 ' H ' ' CD2' ' X' ' 93' ' ' HIS . 7.1 p80 -79.98 135.81 36.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.095 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 61.9 mt -80.94 -69.31 0.61 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.883 . . . . 0.0 110.034 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -140.61 153.92 46.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.372 -0.83 . . . . 0.0 109.827 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 6.3 t -76.29 -66.75 0.76 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.444 -0.785 . . . . 0.0 108.945 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . 0.526 ' NZ ' ' NE2' ' X' ' 100' ' ' GLN . 77.4 tttt -170.51 88.85 0.14 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 0.0 109.358 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -84.56 -12.78 53.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.228 -0.92 . . . . 0.0 109.285 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.31 -38.45 57.12 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.526 ' NE2' ' NZ ' ' X' ' 97' ' ' LYS . 90.8 mt-30 -100.22 134.8 42.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.188 -1.184 . . . . 0.0 109.988 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.424 ' O ' ' N ' ' X' ' 103' ' ' SER . 67.6 m -63.54 -24.97 68.04 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.4 ' C ' ' O ' ' X' ' 101' ' ' SER . 58.2 m -44.1 -24.57 0.16 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.599 -0.688 . . . . 0.0 109.233 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.424 ' N ' ' O ' ' X' ' 101' ' ' SER . 19.1 t -50.0 -29.96 9.65 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.402 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 48.0 mtt-85 -60.01 -41.89 93.13 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.274 -0.891 . . . . 0.0 108.621 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' X' ' 109' ' ' MET . 54.1 t60 -60.51 -39.96 89.68 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.84 . . . . 0.0 108.895 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.11 -30.2 64.17 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.05 -40.4 89.28 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.7 tp -65.84 -38.43 88.85 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.237 -0.914 . . . . 0.0 109.556 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -48.55 -24.55 1.35 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.801 -1.187 . . . . 0.0 109.832 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -40.69 -48.06 2.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.047 -1.033 . . . . 0.0 109.998 -179.174 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.704 ' HZ2' ' HB2' ' A' ' 83' ' ' ALA . 1.3 ptpm? -74.22 -32.34 62.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.884 . . . . 0.0 110.54 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 66.8 p -60.02 -36.98 78.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.733 -1.229 . . . . 0.0 108.24 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.542 -0.724 . . . . 0.0 . 179.509 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.471 ' CD2' ' H ' ' Y' ' 93' ' ' HIS . 7.0 p80 -80.03 135.69 36.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.913 . . . . 0.0 109.054 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -80.96 -69.07 0.63 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -140.72 153.85 46.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.355 -0.84 . . . . 0.0 109.839 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 7.3 t -76.53 -66.5 0.8 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.39 -0.819 . . . . 0.0 109.002 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . 0.518 ' NZ ' ' NE2' ' Y' ' 100' ' ' GLN . 79.8 tttt -170.56 88.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.329 -0.857 . . . . 0.0 109.461 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -84.55 -12.75 53.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.236 -0.915 . . . . 0.0 109.308 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.4 -38.25 57.18 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.518 ' NE2' ' NZ ' ' Y' ' 97' ' ' LYS . 90.3 mt-30 -100.4 134.7 42.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.13 -1.218 . . . . 0.0 109.912 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.431 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.1 m -63.56 -24.89 68.0 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 51.3 m -44.01 -24.64 0.16 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.55 -0.719 . . . . 0.0 109.203 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.431 ' N ' ' O ' ' Y' ' 101' ' ' SER . 22.0 t -50.0 -29.73 9.18 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 -60.04 -42.14 93.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 108.691 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 55.4 t60 -60.41 -40.04 89.53 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.307 -0.871 . . . . 0.0 108.891 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.04 -30.34 64.15 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.97 -40.52 89.35 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.689 -1.204 . . . . 0.0 107.826 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.54 -38.92 91.01 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.276 -0.89 . . . . 0.0 109.613 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -48.23 -24.47 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.769 -1.207 . . . . 0.0 109.868 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.544 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -40.71 -48.15 2.93 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.032 -1.042 . . . . 0.0 109.975 -179.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 1.4 ptpm? -74.22 -32.4 62.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 110.505 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 57.8 p -59.96 -36.49 77.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.678 -1.263 . . . . 0.0 108.364 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.571 -0.705 . . . . 0.0 . 179.533 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m 60.03 27.9 17.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.455 -0.778 . . . . 0.0 109.783 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -75.73 -9.92 59.0 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.767 0.794 . . . . 0.0 108.989 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.5 tp -46.17 -19.66 0.08 Allowed 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.603 -0.686 . . . . 0.0 110.594 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' GLU . 96.6 mt-10 -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.533 -1.354 . . . . 0.0 110.208 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -32.69 37.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.067 -1.021 . . . . 0.0 110.047 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.82 76.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.282 -0.886 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 mtt -68.18 -39.94 82.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.887 -1.133 . . . . 0.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.32 -39.76 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.729 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.9 74.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.517 -0.739 . . . . 0.0 110.975 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -40.04 87.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.87 -37.32 72.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.277 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.09 -46.04 90.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.952 -1.093 . . . . 0.0 111.008 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -40.01 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.035 -1.04 . . . . 0.0 108.753 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.97 -39.95 75.57 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -70.01 -24.13 63.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.149 -0.969 . . . . 0.0 110.223 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.98 -44.23 94.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.788 -1.195 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -91.46 -34.91 14.63 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.894 -1.129 . . . . 0.0 111.697 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 p -60.03 -39.74 86.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.09 -1.006 . . . . 0.0 109.858 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.16 -9.06 86.99 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 34.1 ttt-85 -60.0 -46.33 89.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.043 -1.269 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -115.01 170.86 8.03 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.554 -0.716 . . . . 0.0 109.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.71 -29.63 26.15 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.431 -0.793 . . . . 0.0 111.421 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 64.9 m-20 -69.92 68.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.614 -1.521 . . . . 0.0 109.535 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.0 mtmt -63.25 -39.95 96.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.524 -0.735 . . . . 0.0 110.56 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -98.47 4.29 48.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.124 -0.985 . . . . 0.0 110.869 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -140.17 157.3 45.82 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.941 -1.1 . . . . 0.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.8 123.65 46.47 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 30' ' ' SER . 62.8 tttp -96.35 150.6 20.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.832 -1.167 . . . . 0.0 108.75 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' LYS . 29.8 ttmt -38.39 -27.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.513 0.673 . . . . 0.0 109.961 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -79.91 -49.97 11.14 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.1 mt-10 -64.67 -38.21 90.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.0 -42.37 94.13 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.553 -0.717 . . . . 0.0 109.651 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.92 -39.99 91.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.178 -0.951 . . . . 0.0 110.206 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 49.6 mt-10 -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 109.116 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.726 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.4 tm? -59.99 -49.89 75.9 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 108.264 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.91 -48.29 45.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 112.323 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.4 t-20 -71.2 -40.66 71.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.028 -1.045 . . . . 0.0 113.322 -176.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.438 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 4.6 m120 -96.55 -31.62 12.67 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.121 -0.987 . . . . 0.0 113.583 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -82.01 -10.0 59.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 119.983 -1.698 . . . . 0.0 109.185 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.56 56.25 1.57 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.6 -0.687 . . . . 0.0 109.252 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.1 m -60.02 -39.93 87.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 110.196 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.17 -16.67 1.06 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.071 -1.018 . . . . 0.0 110.795 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.78 -41.35 97.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.708 -1.245 . . . . 0.0 109.244 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.28 159.99 39.27 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -58.66 111.35 1.23 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.598 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.6 149.33 48.26 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.788 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -79.96 140.01 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.095 -1.003 . . . . 0.0 108.655 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -109.12 -10.76 14.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.674 -0.641 . . . . 0.0 111.642 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.4 tp10 -139.93 141.02 36.52 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.927 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.416 HE21 ' HB ' ' A' ' 53' ' ' VAL . 56.8 tp60 -60.19 -29.81 68.95 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.686 -0.634 . . . . 0.0 110.625 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 pt-20 -59.91 -38.37 82.13 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.048 -1.033 . . . . 0.0 110.408 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -59.96 -39.99 81.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.849 -1.157 . . . . 0.0 108.199 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.416 ' HB ' HE21 ' A' ' 50' ' ' GLN . 45.8 t -62.97 -38.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.846 -0.534 . . . . 0.0 109.76 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 55.1 t0 -63.26 -38.7 92.18 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.824 0.821 . . . . 0.0 109.586 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -67.23 -40.03 86.32 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -64.69 -30.53 50.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.4 mtt -69.18 -34.37 74.83 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.42 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.23 -40.0 76.64 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.035 -1.666 . . . . 0.0 107.503 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.81 -41.06 13.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.638 -0.664 . . . . 0.0 111.031 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.0 tp -86.3 -20.25 28.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.053 -1.03 . . . . 0.0 110.585 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 57' ' ' MET . 33.8 t0 -82.03 65.64 7.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.48 -40.02 77.69 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.316 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.0 p-10 -82.39 -9.09 59.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.03 41.26 97.89 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 38.3 p-10 -106.34 1.98 26.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.249 -1.148 . . . . 0.0 108.868 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.06 11.97 83.85 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 48.0 mt-10 -149.69 130.71 14.37 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.2 p -88.69 125.61 34.93 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.556 -1.34 . . . . 0.0 108.64 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.45 160.01 33.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 110.216 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.36 -38.11 12.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.382 -0.824 . . . . 0.0 108.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.97 -39.69 75.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.41 -0.806 . . . . 0.0 110.071 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -68.33 -40.04 81.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.453 -1.405 . . . . 0.0 109.557 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.82 -33.11 74.95 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.079 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -39.8 86.39 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.41 0.624 . . . . 0.0 110.473 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.19 75.56 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.558 -1.339 . . . . 0.0 110.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.389 -0.819 . . . . 0.0 109.853 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -60.11 -39.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 O-C-N 121.713 -0.617 . . . . 0.0 110.256 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -66.15 -38.65 88.63 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.996 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.3 mtp -67.69 -40.67 84.33 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.411 -0.806 . . . . 0.0 111.507 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.03 -38.89 76.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 C-N-CA 118.571 -1.251 . . . . 0.0 109.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.07 -40.01 88.01 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -53.79 -37.85 63.92 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.92 81.54 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.8 t -60.0 -38.28 82.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 109.842 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.92 -39.96 87.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.899 -1.125 . . . . 0.0 108.348 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -38.57 82.8 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.09 -24.92 34.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 108.973 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.88 64.76 6.47 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -71.82 108.02 4.9 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.354 -0.841 . . . . 0.0 109.117 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -77.56 -3.9 43.01 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.775 -0.578 . . . . 0.0 109.691 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.266 -0.896 . . . . 0.0 . -179.702 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 60.09 28.03 17.53 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.453 -0.779 . . . . 0.0 109.832 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -75.78 -9.51 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.706 0.765 . . . . 0.0 109.007 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -46.36 -19.75 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.566 -0.709 . . . . 0.0 110.643 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 2' ' ' GLU . 96.6 mt-10 -69.93 -40.15 75.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.625 -1.297 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -32.48 36.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 110.024 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -39.91 76.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.317 -0.865 . . . . 0.0 110.708 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.3 mtt -68.35 -39.95 81.7 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.99 -1.069 . . . . 0.0 110.01 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.2 -39.87 86.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 119.142 -1.023 . . . . 0.0 109.833 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.74 74.58 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.494 -0.754 . . . . 0.0 110.862 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.09 88.1 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.79 -37.35 73.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.32 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.06 -46.12 90.62 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.935 -1.103 . . . . 0.0 110.987 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -39.92 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.041 -1.037 . . . . 0.0 108.813 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.11 -40.02 76.21 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -69.99 -23.92 63.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.11 -0.994 . . . . 0.0 110.337 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.99 -44.15 94.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.652 -1.28 . . . . 0.0 109.88 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -91.44 -35.14 14.52 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.893 -1.129 . . . . 0.0 111.804 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.02 -39.62 86.48 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.068 -1.02 . . . . 0.0 109.81 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -9.19 86.89 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.49 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 33.3 ttt-85 -60.02 -46.43 89.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.116 -1.226 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.92 171.02 7.91 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.524 0.678 . . . . 0.0 109.618 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.73 -29.59 26.19 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.493 -0.754 . . . . 0.0 111.45 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD2' ' OE2' ' B' ' 31' ' ' GLU . 64.8 m-20 -69.92 68.89 0.3 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.614 -1.521 . . . . 0.0 109.506 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' B' ' 22' ' ' GLY . 50.8 mtmt -63.41 -39.93 95.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.455 -0.778 . . . . 0.0 110.5 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -98.35 3.62 48.58 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.19 -0.944 . . . . 0.0 110.902 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.95 157.2 46.07 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.033 -1.042 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.47 123.55 46.62 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.9 tttp -96.61 150.47 20.62 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.85 -1.157 . . . . 0.0 108.698 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.2 ttmt -38.2 -27.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.5 0.667 . . . . 0.0 109.997 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.503 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.5 t -79.41 -50.0 11.48 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 28' ' ' LYS . 36.0 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.508 -0.745 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -61.1 -39.95 91.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -0.935 . . . . 0.0 110.188 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.49 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 49.8 mt-10 -63.13 -39.92 96.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.378 -0.826 . . . . 0.0 109.179 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.4 tm? -60.12 -49.84 76.06 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.758 -1.214 . . . . 0.0 108.243 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.1 mt -72.79 -48.31 46.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.625 -0.672 . . . . 0.0 112.395 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.432 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.5 t-20 -71.46 -40.52 70.25 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.012 -1.055 . . . . 0.0 113.309 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.432 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 4.8 m120 -96.62 -31.44 12.72 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.972 -1.08 . . . . 0.0 113.543 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.18 -9.91 59.34 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 119.959 -1.713 . . . . 0.0 109.174 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 36.3 mt -127.7 56.37 1.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.248 -0.907 . . . . 0.0 110.126 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -139.09 -16.58 1.08 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.178 -0.951 . . . . 0.0 110.866 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -61.92 -41.0 97.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.735 -1.228 . . . . 0.0 109.225 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -134.56 160.07 39.21 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -58.8 111.34 1.25 Allowed 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.662 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.59 149.02 48.61 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.2 mt -79.61 140.12 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.105 -0.997 . . . . 0.0 108.746 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.437 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -109.32 -10.49 14.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 111.568 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.439 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.7 tp10 -139.93 140.78 36.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.858 -1.151 . . . . 0.0 110.041 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.4 HE21 ' HB ' ' B' ' 53' ' ' VAL . 57.3 tp60 -60.02 -29.76 68.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.775 -0.578 . . . . 0.0 110.585 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.439 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.4 pt-20 -59.94 -38.42 82.37 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.993 -1.067 . . . . 0.0 110.387 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.11 -39.8 81.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.831 -1.168 . . . . 0.0 108.255 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.4 ' HB ' HE21 ' B' ' 50' ' ' GLN . 44.3 t -63.02 -38.33 81.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.809 -0.557 . . . . 0.0 109.814 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 54.8 t0 -63.3 -38.78 92.48 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.786 0.803 . . . . 0.0 109.567 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -67.23 -39.95 86.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.77 -30.6 50.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 2.4 mtt -68.87 -34.72 75.9 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.337 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.15 -40.07 76.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.935 -1.728 . . . . 0.0 107.546 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.9 m -87.68 -40.95 13.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.637 -0.665 . . . . 0.0 111.034 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -86.17 -20.29 28.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.518 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' B' ' 57' ' ' MET . 33.6 t0 -82.01 65.31 7.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.05 -40.09 76.15 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.345 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.0 p-10 -82.56 -9.0 59.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.082 -1.011 . . . . 0.0 109.204 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.75 41.33 97.49 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 37.9 p-10 -106.21 2.05 26.56 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.129 -1.218 . . . . 0.0 108.736 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.482 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.95 12.43 83.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 50.1 mt-10 -150.02 130.02 13.47 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 10.7 p -88.18 125.58 34.69 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.426 -1.421 . . . . 0.0 108.713 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.19 159.97 33.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 110.197 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -37.93 13.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.821 . . . . 0.0 108.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' B' ' 71' ' ' GLN . 14.3 pt20 -69.98 -39.73 75.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.32 -0.862 . . . . 0.0 110.08 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.41 -40.03 81.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.39 -1.444 . . . . 0.0 109.376 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -32.98 74.63 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 109.058 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -39.78 86.74 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.719 -0.613 . . . . 0.0 110.568 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.0 75.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 120.617 -1.302 . . . . 0.0 110.344 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -39.9 87.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.407 -0.808 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -39.15 79.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 O-C-N 121.731 -0.606 . . . . 0.0 110.25 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -65.96 -39.01 90.02 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.948 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.7 mtp -67.59 -40.99 84.78 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 111.538 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.03 -38.86 76.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.614 -1.234 . . . . 0.0 109.352 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.3 m -60.05 -40.04 88.04 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -53.96 -37.66 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.97 -38.34 82.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.493 -0.755 . . . . 0.0 110.064 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.85 -1.156 . . . . 0.0 108.354 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -82.08 -24.87 34.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 108.949 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -89.89 64.76 6.46 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.8 108.26 5.01 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.862 0.839 . . . . 0.0 109.046 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -77.78 -4.16 45.03 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.709 -0.619 . . . . 0.0 109.722 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.37 -0.831 . . . . 0.0 . -179.56 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.485 ' N ' ' ND1' ' X' ' 93' ' ' HIS . 2.0 p-80 -139.78 158.72 43.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.434 -0.791 . . . . 0.0 108.914 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 54.5 tp -90.03 -83.52 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 0.0 109.179 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -153.37 -92.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.283 -0.886 . . . . 0.0 109.799 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 93.2 p -67.01 -39.43 87.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.656 -0.653 . . . . 0.0 110.001 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -119.34 134.87 54.99 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.619 0.723 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -100.86 0.0 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.453 -0.779 . . . . 0.0 109.192 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.54 -172.87 12.72 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -138.35 155.56 48.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.34 -1.094 . . . . 0.0 109.428 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 52.5 m -60.12 -24.87 65.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.063 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.596 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 69.5 p -46.56 -25.02 0.61 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.419 -0.801 . . . . 0.0 109.178 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -46.39 -24.72 0.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.279 -0.888 . . . . 0.0 108.993 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.452 -0.78 . . . . 0.0 109.363 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' X' ' 102' ' ' THR . 6.0 p-80 -59.79 -32.06 70.27 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.908 -1.12 . . . . 0.0 108.751 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.543 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.8 tttt -59.96 -31.85 70.27 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 25.9 ttpp -59.69 -40.08 86.7 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.82 -33.78 75.95 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.586 -0.696 . . . . 0.0 110.289 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -62.37 -24.46 67.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.634 -1.291 . . . . 0.0 110.117 -179.519 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.04 -35.62 5.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.981 -1.074 . . . . 0.0 109.93 -178.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.609 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.29 -35.12 41.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.844 -1.16 . . . . 0.0 108.815 178.608 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -58.58 -32.11 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.552 -0.717 . . . . 0.0 . 179.091 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.483 ' N ' ' ND1' ' Y' ' 93' ' ' HIS . 1.9 p-80 -139.97 158.72 43.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.351 -0.843 . . . . 0.0 108.896 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 53.0 tp -89.99 -83.16 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.967 . . . . 0.0 109.302 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -153.81 -92.48 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.383 -0.823 . . . . 0.0 109.748 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 97.6 p -67.01 -39.4 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.684 -0.635 . . . . 0.0 110.014 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -119.4 134.83 55.02 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.485 -0.759 . . . . 0.0 109.716 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -100.76 0.07 38.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.398 -0.814 . . . . 0.0 109.108 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.45 -172.76 12.68 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -138.38 155.52 48.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.286 -1.126 . . . . 0.0 109.414 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 55.5 m -60.01 -24.96 64.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 108.992 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.593 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 66.1 p -46.46 -24.95 0.58 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.2 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' Y' ' 102' ' ' THR . 55.2 m -46.46 -24.81 0.56 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.005 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.414 -0.804 . . . . 0.0 109.385 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' Y' ' 102' ' ' THR . 5.9 p-80 -59.83 -31.88 70.14 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.964 -1.085 . . . . 0.0 108.789 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.555 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.1 tttt -59.98 -31.86 70.3 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 26.2 ttpp -59.84 -40.0 87.04 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.86 -33.48 75.36 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.548 0.69 . . . . 0.0 110.364 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.512 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -62.48 -24.4 67.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.578 -1.327 . . . . 0.0 110.094 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.05 -35.97 5.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.943 -1.098 . . . . 0.0 109.818 -178.537 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.607 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -78.98 -34.29 44.36 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.84 -1.163 . . . . 0.0 109.016 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -30.93 69.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.556 -0.715 . . . . 0.0 . 179.134 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 2' ' ' GLU . 98.6 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.297 0.57 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.9 p 48.41 16.53 0.1 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.262 -0.899 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -73.28 -10.04 59.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.347 -0.846 . . . . 0.0 109.148 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 tp -43.05 -22.45 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.594 -0.691 . . . . 0.0 110.238 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 2' ' ' GLU . 21.3 pt-20 -69.97 -36.58 75.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.92 -1.112 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -75.15 -31.69 61.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.742 -1.224 . . . . 0.0 109.219 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.87 -41.16 75.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 110.761 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -62.44 -40.37 96.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.056 . . . . 0.0 109.688 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.21 -37.99 80.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.563 0.697 . . . . 0.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.35 93.89 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.718 -0.614 . . . . 0.0 111.331 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.774 -1.204 . . . . 0.0 108.347 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.24 -39.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 O-C-N 121.548 -0.72 . . . . 0.0 110.943 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.58 -40.28 96.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.501 -1.374 . . . . 0.0 111.581 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -39.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.115 -0.991 . . . . 0.0 110.111 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.63 -39.95 86.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.984 -1.072 . . . . 0.0 108.959 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 108.842 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 2.6 tm0? -59.99 -41.85 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.612 -0.68 . . . . 0.0 110.828 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 61.5 m-85 -99.16 -24.53 14.84 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.009 -1.057 . . . . 0.0 112.039 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.923 -1.111 . . . . 0.0 109.472 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.11 -7.86 84.73 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -59.99 -47.84 84.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.058 -1.26 . . . . 0.0 109.152 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -115.13 156.08 25.91 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.97 -20.71 0.76 Allowed Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 8.5 m-20 -74.84 62.29 1.08 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.757 -1.437 . . . . 0.0 110.081 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 109.026 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.08 -20.21 56.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.746 -0.596 . . . . 0.0 111.893 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -149.44 161.76 41.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.553 -1.342 . . . . 0.0 110.737 -178.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.95 141.22 39.92 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.636 -0.665 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' SER . 8.0 mtpm? -107.3 152.32 24.29 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' LYS . 31.7 ttmt -40.97 -27.6 0.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.39 -0.819 . . . . 0.0 109.74 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LYS . 74.7 m -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.638 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 63.3 tt0 -70.03 -33.56 72.14 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.91 -40.97 95.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.593 -0.692 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 88.5 tttt -60.72 -39.9 90.3 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.602 -0.686 . . . . 0.0 110.142 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.48 -40.04 96.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.875 . . . . 0.0 109.047 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.4 tt -62.53 -49.98 73.17 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.007 -1.058 . . . . 0.0 108.981 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.81 -44.16 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.174 -0.953 . . . . 0.0 111.874 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 2.0 m-80 -68.54 -40.04 80.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.886 -1.134 . . . . 0.0 112.184 -176.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -98.56 -36.03 10.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.424 -0.797 . . . . 0.0 112.73 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 22.9 tt0 -70.01 -26.96 64.31 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.424 -1.423 . . . . 0.0 108.745 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.58 51.66 1.7 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.976 -1.078 . . . . 0.0 110.082 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -129.11 -18.6 3.68 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.367 -0.833 . . . . 0.0 109.879 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -64.91 -39.28 93.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.521 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 4.1 tp -127.8 -145.06 0.3 Allowed 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.216 -0.928 . . . . 0.0 109.395 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.7 tt0 -92.75 107.22 19.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.43 140.03 58.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -92.45 132.1 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 108.946 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -105.0 -26.12 12.28 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.85 140.02 52.36 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.573 0.701 . . . . 0.0 110.314 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -65.44 -21.04 66.61 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.2 pt-20 -60.08 -39.52 86.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.316 -0.865 . . . . 0.0 110.326 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 79.0 t -60.05 -39.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.996 -1.065 . . . . 0.0 108.155 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.96 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.23 -39.97 88.58 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.05 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.06 -39.96 86.98 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 122.238 1.018 . . . . 0.0 108.667 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.1 -28.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 mtt -69.74 -28.9 66.18 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.759 -0.777 . . . . 0.0 108.975 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.96 -39.94 87.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -84.85 -39.57 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.739 -0.601 . . . . 0.0 111.105 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 76' ' ' PHE . 3.9 mm? -88.15 -18.05 29.62 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.796 -1.19 . . . . 0.0 110.819 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.1 t0 -80.08 63.05 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.74 -36.53 76.79 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.745 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.5 -11.1 59.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.54 30.92 75.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.4 p-10 -107.82 6.16 27.19 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.072 -1.252 . . . . 0.0 109.973 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.72 10.63 86.02 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -140.25 143.0 35.73 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 4.9 p -108.92 126.6 53.25 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.061 -1.025 . . . . 0.0 108.623 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.2 t0 -73.07 168.42 19.09 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.796 -0.565 . . . . 0.0 109.639 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.555 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.5 t80 -54.26 -40.28 67.64 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.247 -0.908 . . . . 0.0 108.945 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.09 -39.66 86.8 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.03 -40.21 94.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.881 -1.137 . . . . 0.0 110.405 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.79 -36.63 82.85 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mmm -59.97 -39.1 84.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.296 0.569 . . . . 0.0 111.448 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.32 -35.2 77.44 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.549 -1.345 . . . . 0.0 110.764 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.624 ' HB2' HD11 ' A' ' 60' ' ' LEU . 47.2 t80 -60.1 -35.83 76.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.114 -0.991 . . . . 0.0 109.401 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.9 t -60.2 -39.98 82.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.974 0 O-C-N 121.634 -0.666 . . . . 0.0 109.759 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' OG ' ' B' ' 78' ' ' SER . 42.4 m -60.9 -40.09 91.8 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.945 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 mtm -74.61 -42.01 59.39 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 118.799 -1.16 . . . . 0.0 111.525 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.25 -39.95 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.686 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.98 -39.47 85.8 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -54.38 -39.33 67.1 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.77 -33.72 72.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.675 -0.64 . . . . 0.0 109.63 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -59.94 -40.68 89.76 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 108.715 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -40.17 96.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.91 -39.51 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.615 0.721 . . . . 0.0 109.103 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.58 62.17 3.79 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.99 105.6 3.94 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.882 0.849 . . . . 0.0 109.656 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.33 85.47 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.058 -1.026 . . . . 0.0 . -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.442 ' O ' ' N ' ' B' ' 2' ' ' GLU . 98.2 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.302 0.572 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.8 p 48.4 16.32 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -73.45 -9.49 58.74 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 109.169 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 tp -43.66 -21.98 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.489 -0.757 . . . . 0.0 110.246 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 2' ' ' GLU . 20.8 pt-20 -70.22 -36.53 74.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.877 -1.14 . . . . 0.0 110.888 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.77 -1.206 . . . . 0.0 109.207 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 -41.16 75.84 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.823 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -62.29 -40.31 95.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.06 . . . . 0.0 109.975 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -37.76 79.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-O 121.469 0.652 . . . . 0.0 109.414 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.96 92.81 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.705 -0.622 . . . . 0.0 111.372 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.0 -39.89 87.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.723 -1.235 . . . . 0.0 108.261 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.22 -39.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.577 -0.702 . . . . 0.0 110.85 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.27 -40.54 97.7 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.547 -1.346 . . . . 0.0 111.592 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -39.03 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.193 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -59.78 -39.97 86.7 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 108.991 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -64.3 -24.52 67.68 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.088 -1.008 . . . . 0.0 108.824 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.482 ' OE1' ' CE1' ' B' ' 17' ' ' TYR . 2.8 tm0? -60.02 -41.79 92.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.512 -0.742 . . . . 0.0 110.78 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.482 ' CE1' ' OE1' ' B' ' 16' ' ' GLN . 61.3 m-85 -99.18 -24.49 14.84 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.91 -1.119 . . . . 0.0 112.03 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.986 -1.071 . . . . 0.0 109.452 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.59 85.62 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' B' ' 20' ' ' ARG . 39.9 ttt-85 -60.03 -47.69 84.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.259 . . . . 0.0 109.177 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.97 155.74 26.37 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.1 -20.14 0.73 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' B' ' 26' ' ' LYS . 8.5 m-20 -75.19 62.47 1.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.834 -1.392 . . . . 0.0 109.924 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -61.2 -39.97 92.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -0.884 . . . . 0.0 109.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -77.31 -20.25 55.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.73 -0.606 . . . . 0.0 111.894 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -149.15 161.67 41.52 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.533 -1.354 . . . . 0.0 110.772 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.96 140.88 40.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.717 -0.615 . . . . 0.0 110.488 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.9 mtpm? -107.3 152.1 24.59 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 28' ' ' LYS . 30.7 ttmt -40.59 -27.51 0.05 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.383 -0.823 . . . . 0.0 109.821 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -79.7 -48.79 13.09 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.677 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 63.5 tt0 -70.01 -33.85 72.54 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.66 -41.42 95.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 109.537 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.524 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 88.6 tttt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.184 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.54 -39.95 95.74 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.302 -0.874 . . . . 0.0 109.116 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.7 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.1 tt -62.59 -50.04 72.87 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 108.982 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.77 -44.29 76.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.204 -0.935 . . . . 0.0 111.953 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' B' ' 33' ' ' LYS . 2.2 m-80 -68.52 -39.97 80.98 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.962 -1.086 . . . . 0.0 112.158 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -98.63 -36.04 10.0 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 112.733 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 22.8 tt0 -69.98 -27.03 64.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.404 -1.435 . . . . 0.0 108.722 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -125.7 51.68 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -60.07 -40.82 90.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.011 -1.056 . . . . 0.0 110.068 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -129.5 -18.49 3.55 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.388 -0.82 . . . . 0.0 109.981 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -39.07 91.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.491 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.449 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 4.1 tp -127.75 -145.02 0.3 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.395 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.449 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -92.83 107.09 18.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.892 . . . . 0.0 109.155 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.47 140.01 58.0 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -92.51 132.16 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 108.946 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -105.03 -25.96 12.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.363 -0.836 . . . . 0.0 109.095 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -121.04 139.88 52.7 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.568 0.699 . . . . 0.0 110.291 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -65.43 -21.13 66.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -60.02 -39.61 86.47 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 0.0 110.364 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.94 -40.05 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.87 -39.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.41 -39.96 89.27 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.791 0.805 . . . . 0.0 110.166 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.04 -39.93 87.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.306 1.05 . . . . 0.0 108.605 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.7 t -67.21 -28.26 41.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.556 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.1 mtt -69.87 -28.86 66.0 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.666 -0.814 . . . . 0.0 108.941 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -84.66 -39.6 18.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.779 -0.576 . . . . 0.0 111.117 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 76' ' ' PHE . 3.9 mm? -88.14 -17.98 29.79 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.778 -1.201 . . . . 0.0 110.881 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.0 t0 -80.33 63.32 4.76 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -59.95 -36.5 77.22 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.764 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.0 m-20 -79.58 -10.97 59.89 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.45 76.91 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -108.27 6.52 26.66 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.141 -1.211 . . . . 0.0 109.961 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.449 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.55 10.49 86.15 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -140.36 142.92 35.51 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 4.9 p -108.84 126.61 53.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.013 -1.055 . . . . 0.0 108.462 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 53.3 t0 -73.22 168.4 19.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.785 -0.572 . . . . 0.0 109.58 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.561 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.5 t80 -54.1 -40.33 67.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.222 -0.924 . . . . 0.0 108.984 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.35 -39.09 85.72 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.032 -1.042 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.407 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 42.0 mt-10 -62.31 -40.16 95.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.8 -1.187 . . . . 0.0 110.459 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.01 -36.54 82.36 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 108.94 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -60.01 -39.06 84.51 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.22 0.533 . . . . 0.0 111.424 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.74 -34.75 76.14 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.562 -1.336 . . . . 0.0 110.764 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.615 ' HB2' HD11 ' B' ' 60' ' ' LEU . 47.6 t80 -60.07 -36.07 76.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.104 -0.997 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.418 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.8 t -59.98 -40.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 121.526 -0.734 . . . . 0.0 109.633 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' OG ' ' A' ' 78' ' ' SER . 39.3 m -60.83 -40.13 91.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 111.034 -178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mtm -74.61 -42.18 59.1 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.453 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.09 -39.79 85.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.129 -0.982 . . . . 0.0 109.631 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.3 m -60.07 -39.62 86.69 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.53 -39.53 67.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.45 85.8 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' B' ' 88' ' ' PHE . 11.5 t -60.0 -33.69 72.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.682 -0.636 . . . . 0.0 109.614 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.03 -40.54 89.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 108.713 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.62 -40.44 96.9 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -70.84 -38.98 73.24 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.609 0.719 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.4 OUTLIER -79.94 62.05 4.03 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -71.65 105.55 3.73 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.813 0.816 . . . . 0.0 109.538 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -72.41 85.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.074 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.284 0.564 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -151.64 175.22 12.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.603 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.536 ' N ' HD12 ' X' ' 94' ' ' LEU . 10.8 mp -74.33 174.56 8.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.417 -0.802 . . . . 0.0 109.038 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -59.98 -38.42 82.52 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.349 -0.844 . . . . 0.0 109.173 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -133.63 146.52 50.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.328 -0.858 . . . . 0.0 109.104 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -65.05 -19.58 66.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 109.117 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' X' ' 99' ' ' GLY . 4.5 tmtm? -53.25 127.67 25.36 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' X' ' 98' ' ' LYS . . . 142.68 28.91 0.14 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.21 149.51 42.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.809 -0.818 . . . . 0.0 110.346 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -58.41 -26.06 62.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.584 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 25.5 p -45.88 -25.28 0.5 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.599 -0.688 . . . . 0.0 109.566 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 61.5 m -49.79 -25.43 3.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.809 -1.182 . . . . 0.0 108.669 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' X' ' 104' ' ' ARG . 51.5 mtt-85 -60.03 -39.88 87.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.581 -0.7 . . . . 0.0 109.914 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.584 ' ND1' ' O ' ' X' ' 102' ' ' THR . 5.7 p-80 -59.43 -34.98 73.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.666 -1.271 . . . . 0.0 108.94 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.557 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 45.7 mtpt -60.03 -28.75 68.0 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 83.9 tttt -57.97 -39.95 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.02 -28.59 62.45 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.708 -0.62 . . . . 0.0 110.208 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.56 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -55.29 -24.78 30.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.37 -1.457 . . . . 0.0 109.304 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.528 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 0.4 OUTLIER -53.92 -27.36 30.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.538 -1.351 . . . . 0.0 109.304 -179.053 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.528 ' NZ ' ' CZ ' ' X' ' 110' ' ' PHE . 0.2 OUTLIER -69.99 -39.89 75.64 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.636 -1.29 . . . . 0.0 107.948 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 48.5 p -59.94 -34.59 73.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.364 -0.835 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.306 0.574 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -151.65 175.37 12.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.238 -0.914 . . . . 0.0 109.621 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.535 ' N ' HD12 ' Y' ' 94' ' ' LEU . 10.8 mp -74.17 174.65 8.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.399 -0.813 . . . . 0.0 109.12 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.07 -38.4 82.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.328 -0.858 . . . . 0.0 109.155 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -134.09 146.33 50.18 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.323 -0.861 . . . . 0.0 109.072 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.69 -19.59 65.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' Y' ' 99' ' ' GLY . 5.0 tmtm? -53.35 127.41 24.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' Y' ' 98' ' ' LYS . . . 143.1 29.04 0.13 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 107.769 -2.132 . . . . 0.0 107.769 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.24 149.19 43.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.787 -0.831 . . . . 0.0 110.45 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 54.2 m -58.25 -25.91 62.28 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.59 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 25.4 p -45.98 -24.99 0.48 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.587 -0.695 . . . . 0.0 109.636 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 68.6 m -49.93 -25.62 3.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.784 -1.198 . . . . 0.0 108.64 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 52.0 mtt-85 -60.0 -39.98 87.64 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.659 -0.65 . . . . 0.0 109.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.59 ' ND1' ' O ' ' Y' ' 102' ' ' THR . 5.8 p-80 -59.28 -35.13 73.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.702 -1.249 . . . . 0.0 108.989 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.0 mtpt -60.0 -28.59 67.84 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 83.8 tttt -57.9 -39.79 78.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.43 -28.29 61.9 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.647 -0.658 . . . . 0.0 110.108 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -55.44 -24.71 32.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.424 -1.422 . . . . 0.0 109.252 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -53.98 -27.41 31.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.521 -1.362 . . . . 0.0 109.388 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' NZ ' ' CZ ' ' Y' ' 110' ' ' PHE . 0.2 OUTLIER -70.04 -39.94 75.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.742 -1.224 . . . . 0.0 107.927 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -59.99 -33.94 72.64 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.524 -0.87 . . . . 0.0 108.961 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.349 -0.844 . . . . 0.0 . 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m 56.85 30.55 18.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 0.0 109.348 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -74.8 5.48 4.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.318 -0.864 . . . . 0.0 108.869 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.419 HD23 HD21 ' B' ' 40' ' ' LEU . 32.7 tp -47.5 -21.01 0.28 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.669 -0.645 . . . . 0.0 109.936 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 109.5 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.47 -39.69 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 0.0 110.086 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -66.1 -43.18 87.99 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 111.381 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.8 mtt -63.85 -39.95 95.41 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.967 -1.083 . . . . 0.0 109.596 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.94 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.67 -0.644 . . . . 0.0 109.856 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -67.62 -35.05 78.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.583 -0.698 . . . . 0.0 111.306 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -40.02 87.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.619 -1.3 . . . . 0.0 107.728 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.3 mt -69.59 -39.98 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.852 -0.53 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.89 -45.17 95.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.697 -1.252 . . . . 0.0 111.844 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -39.87 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.855 -1.153 . . . . 0.0 109.751 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 22.0 t80 -59.14 -39.94 83.94 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.014 -1.054 . . . . 0.0 109.379 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.73 -31.17 72.27 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.147 -0.97 . . . . 0.0 110.001 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' OE1' ' SD ' ' B' ' 0' ' ' MET . 71.9 tp60 -60.01 -41.34 91.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 110.683 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -91.96 -35.75 13.81 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.835 -1.166 . . . . 0.0 112.672 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.449 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 65.7 m -59.99 -40.38 88.95 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.89 -1.131 . . . . 0.0 110.555 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.23 -13.75 73.25 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.34 -46.41 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.075 -1.25 . . . . 0.0 110.474 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.99 -77.54 0.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.066 -1.021 . . . . 0.0 110.401 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 -29.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.275 -1.441 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -81.84 95.79 7.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.805 -1.409 . . . . 0.0 108.712 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.99 -40.01 75.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.91 . . . . 0.0 111.246 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -99.59 5.53 45.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.03 -1.044 . . . . 0.0 111.525 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -146.64 149.33 33.3 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.681 -1.262 . . . . 0.0 110.526 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 mt -117.44 137.69 52.34 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.721 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' SER . 8.3 mtmp? -102.04 155.5 18.14 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 pttm -49.99 -22.63 1.64 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 28' ' ' LYS . 69.9 m -75.74 -50.74 14.4 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.438 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.68 -35.74 80.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.721 -0.612 . . . . 0.0 109.61 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.96 -40.01 87.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.668 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.98 -35.95 79.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 108.876 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.711 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.6 tm? -60.74 -49.98 75.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.74 -1.225 . . . . 0.0 108.438 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.5 mt -73.99 -48.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 111.798 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 113.055 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.7 -35.76 10.46 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.145 -0.972 . . . . 0.0 113.183 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 40' ' ' LEU . 26.8 tt0 -80.0 -10.36 59.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.112 -1.617 . . . . 0.0 109.11 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.2 mt -134.48 54.77 1.93 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.454 -0.779 . . . . 0.0 109.09 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -61.75 -39.99 93.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 110.436 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -131.49 -19.9 2.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.266 -0.896 . . . . 0.0 110.169 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.95 -40.03 94.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.994 -1.067 . . . . 0.0 109.825 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' HG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -130.93 167.06 19.62 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.259 -0.901 . . . . 0.0 108.836 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -52.62 106.04 0.14 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.16 140.03 58.17 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -82.26 138.06 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.95 -17.62 13.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.689 -0.632 . . . . 0.0 110.074 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -136.01 142.48 44.48 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.308 -0.87 . . . . 0.0 109.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -20.33 66.29 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.95 -38.88 83.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.617 -0.677 . . . . 0.0 109.844 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' X' ' 105' ' ' HIS . 58.9 t -60.0 -39.21 79.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.44 -31.78 54.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 O-C-N 121.981 -0.449 . . . . 0.0 109.832 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.29 81.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -70.13 -39.98 75.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.249 1.023 . . . . 0.0 108.643 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.1 -31.32 53.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -62.59 -36.91 84.23 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.369 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 119.882 -1.761 . . . . 0.0 107.253 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -77.94 -44.99 25.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.581 -0.699 . . . . 0.0 111.444 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 24.2 mt -90.0 -14.99 32.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.836 -1.165 . . . . 0.0 111.245 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 55.6 t0 -80.84 61.09 4.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 72.9 m-20 -74.2 -11.11 60.2 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.26 29.93 72.63 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -106.8 3.84 26.9 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.238 -1.154 . . . . 0.0 109.686 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 81.06 2.25 90.37 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -137.48 136.65 37.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.578 -0.954 . . . . 0.0 108.667 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.52 136.23 43.64 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.8 t0 -78.15 170.01 17.32 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.243 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.548 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.9 t80 -51.18 -39.96 57.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -61.3 -50.44 72.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.812 . . . . 0.0 111.026 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 81.7 mt-10 -61.42 -40.03 92.91 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -1.0 . . . . 0.0 110.417 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -63.97 -37.36 87.14 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.348 -0.845 . . . . 0.0 109.639 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 82.5 mmm -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.464 0.65 . . . . 0.0 110.48 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.27 79.59 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.01 -1.057 . . . . 0.0 110.957 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.02 -35.43 75.07 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.268 -0.895 . . . . 0.0 109.967 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.1 t -66.2 -37.21 79.23 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.25 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -65.19 -39.96 93.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.07 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 30.1 mtp -71.36 -42.48 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.089 -1.044 . . . . 0.0 111.095 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.05 -39.65 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.3 m -60.05 -39.11 84.83 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.32 -38.99 60.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.91 83.89 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.6 m -60.0 -36.75 77.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.782 -1.199 . . . . 0.0 109.408 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.89 -33.52 76.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.064 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.07 -30.03 21.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.363 -0.836 . . . . 0.0 109.672 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.592 ' CD1' ' CE1' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -94.55 65.17 3.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 108.633 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -75.11 105.67 6.24 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 108.759 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.592 ' CE1' ' CD1' ' A' ' 88' ' ' PHE . 70.3 m80 -83.6 99.77 10.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 . -179.752 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 16' ' ' GLN . 15.1 mmt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.239 0.542 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m 57.03 30.28 17.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -74.67 5.29 5.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 108.926 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 40' ' ' LEU . 31.0 tp -46.95 -21.35 0.21 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.663 -0.648 . . . . 0.0 109.917 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.92 -40.03 75.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.987 -1.071 . . . . 0.0 109.615 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.483 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -73.6 -39.63 64.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.517 -0.739 . . . . 0.0 110.104 -179.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -66.25 -43.19 87.26 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.303 -0.873 . . . . 0.0 111.276 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -63.72 -40.01 95.7 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.941 -1.099 . . . . 0.0 109.562 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.8 -37.76 81.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.694 -0.629 . . . . 0.0 109.834 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -67.79 -34.91 77.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.597 -0.69 . . . . 0.0 111.381 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.41 -1.316 . . . . 0.0 107.665 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.53 -40.0 79.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.923 -0.485 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.87 -45.2 95.49 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.738 -1.226 . . . . 0.0 111.856 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -39.64 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.829 -1.169 . . . . 0.0 109.751 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.439 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 22.1 t80 -59.22 -39.97 84.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.109 -0.995 . . . . 0.0 109.326 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.195 -0.941 . . . . 0.0 110.037 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -41.42 91.83 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -91.85 -35.84 13.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.842 -1.161 . . . . 0.0 112.723 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.439 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 61.5 m -60.04 -40.11 88.27 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.792 -1.192 . . . . 0.0 110.541 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.14 -14.18 72.5 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.19 -46.19 90.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.06 -1.259 . . . . 0.0 110.598 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.03 -78.04 0.38 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.092 -1.005 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.98 -30.48 0.02 OUTLIER Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.737 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -81.57 95.95 7.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.749 -1.442 . . . . 0.0 108.754 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.368 -0.833 . . . . 0.0 111.265 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -99.69 5.34 45.78 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.027 -1.046 . . . . 0.0 111.459 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -146.64 149.31 33.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.476 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 mt -117.38 137.7 52.3 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.727 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 8.4 mtmp? -102.0 155.65 18.04 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.04 -22.57 1.66 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.8 m -75.79 -50.66 14.57 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.501 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.77 -35.76 80.85 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.697 -0.627 . . . . 0.0 109.515 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.186 -0.946 . . . . 0.0 109.682 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.09 -35.62 78.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 108.928 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.717 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.93 -49.95 75.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.751 -1.218 . . . . 0.0 108.351 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -74.07 -48.47 37.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 121.521 -0.737 . . . . 0.0 111.863 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -67.77 -40.0 84.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.089 -1.007 . . . . 0.0 113.018 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -97.69 -35.84 10.44 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.113 -0.992 . . . . 0.0 113.177 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.513 ' O ' HD23 ' B' ' 40' ' ' LEU . 26.4 tt0 -80.0 -10.37 59.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.087 -1.633 . . . . 0.0 109.136 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.2 mt -134.44 54.89 1.92 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 0.0 109.084 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -61.79 -40.01 93.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.97 . . . . 0.0 110.427 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -131.59 -19.68 2.67 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.337 -0.852 . . . . 0.0 110.139 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -64.94 -40.02 94.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.816 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' B' ' 45' ' ' GLU . 3.9 tp -131.02 166.89 20.02 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.308 -0.87 . . . . 0.0 108.811 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.446 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 86.5 tt0 -52.54 106.13 0.14 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.295 -0.878 . . . . 0.0 109.431 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.97 140.03 58.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mm -82.33 138.25 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.061 -1.024 . . . . 0.0 109.241 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -17.8 13.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.658 -0.651 . . . . 0.0 110.084 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -135.95 142.52 44.6 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.317 -0.864 . . . . 0.0 109.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.27 66.25 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -59.93 -38.95 83.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.544 -0.722 . . . . 0.0 109.827 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' Y' ' 105' ' ' HIS . 60.6 t -60.05 -39.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.36 -31.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.807 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.08 -37.07 80.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -70.19 -40.01 74.87 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.374 1.083 . . . . 0.0 108.462 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.19 -31.19 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.65 -36.86 84.21 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.26 -40.02 73.54 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 119.914 -1.742 . . . . 0.0 107.274 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.3 m -77.96 -45.04 25.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.638 -0.664 . . . . 0.0 111.408 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 23.9 mt -89.96 -14.96 32.96 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.137 . . . . 0.0 111.288 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' B' ' 57' ' ' MET . 55.5 t0 -80.83 60.98 4.29 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -59.94 -39.59 86.08 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 73.0 m-20 -74.33 -11.04 60.15 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.16 30.01 72.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 8.5 p30 -106.8 3.94 27.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.223 -1.163 . . . . 0.0 109.713 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 81.01 2.03 90.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -137.32 136.64 38.16 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.6 -0.941 . . . . 0.0 108.723 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.6 136.16 43.83 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 50.3 t0 -77.82 170.11 17.14 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.582 -0.699 . . . . 0.0 109.29 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.8 t80 -51.39 -40.01 58.38 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -61.22 -50.4 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 111.086 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 81.7 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 110.475 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.04 -37.43 87.42 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.327 -0.858 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.4 mmm -59.99 -37.38 79.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.598 -0.689 . . . . 0.0 110.47 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.54 80.38 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 120.984 -1.073 . . . . 0.0 110.963 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.05 -35.63 75.56 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.275 -0.89 . . . . 0.0 109.939 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.477 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.0 OUTLIER -65.96 -37.13 79.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.305 0 O-C-N 121.876 -0.515 . . . . 0.0 110.34 -178.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 m -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.071 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.7 mtp -71.33 -42.39 68.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.087 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.13 -39.59 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.216 -0.927 . . . . 0.0 110.117 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -60.04 -39.28 85.38 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -52.13 -39.2 59.56 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.75 83.52 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.0 m -60.04 -36.79 78.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.94 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.78 -1.2 . . . . 0.0 109.351 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.87 -33.18 75.24 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 0.0 109.111 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -87.28 -30.21 21.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.557 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.577 ' CD1' ' CE1' ' B' ' 90' ' ' HIS . 0.1 OUTLIER -94.46 65.23 3.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 108.657 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -75.27 105.61 6.38 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.046 . . . . 0.0 108.777 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.577 ' CE1' ' CD1' ' B' ' 88' ' ' PHE . 71.2 m80 -83.54 100.13 10.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.457 -0.777 . . . . 0.0 108.942 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.374 -0.829 . . . . 0.0 . -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.354 0.597 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -82.92 144.82 29.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.825 . . . . 0.0 109.231 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.35 136.56 46.96 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.281 -0.887 . . . . 0.0 109.638 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 127.96 46.82 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.269 -0.895 . . . . 0.0 109.156 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 90.1 p -66.8 -39.99 87.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 109.55 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -158.38 155.06 28.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.651 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -70.0 -38.4 75.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.233 -0.917 . . . . 0.0 109.271 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.84 167.5 12.6 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -142.25 160.81 39.5 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.232 -1.158 . . . . 0.0 110.171 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.51 ' O ' ' N ' ' X' ' 103' ' ' SER . 83.2 p -52.99 -24.71 10.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.41 ' C ' ' O ' ' X' ' 101' ' ' SER . 13.8 t -40.05 -24.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.512 0.672 . . . . 0.0 109.925 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.51 ' N ' ' O ' ' X' ' 101' ' ' SER . 78.8 p -50.01 -26.93 4.78 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 49.8 mtt-85 -61.84 -40.33 94.95 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.982 0.896 . . . . 0.0 108.89 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.524 ' CD2' HG22 ' A' ' 52' ' ' VAL . 2.0 m-70 -60.2 -38.45 83.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.75 -29.43 62.55 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.99 -40.07 87.9 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.134 -0.978 . . . . 0.0 108.575 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.438 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.1 mt -75.13 -24.76 58.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.951 -1.093 . . . . 0.0 109.283 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.97 -24.6 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.86 -1.775 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 1.1 p90 -45.56 -47.19 14.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.069 -1.02 . . . . 0.0 110.089 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 6.3 pttt -68.28 -35.4 77.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.378 -0.827 . . . . 0.0 110.19 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 63.5 p -60.65 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.835 -1.166 . . . . 0.0 109.13 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.32 0.581 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -82.81 144.63 30.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -107.27 136.34 47.25 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.313 -0.867 . . . . 0.0 109.671 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 127.9 46.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.306 -0.871 . . . . 0.0 109.283 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -66.78 -40.0 88.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 109.537 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -158.51 155.02 27.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.218 -0.926 . . . . 0.0 109.667 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -69.97 -38.6 76.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 109.39 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.46 167.58 12.92 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -142.53 160.55 40.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.161 -1.199 . . . . 0.0 110.259 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.505 ' O ' ' N ' ' Y' ' 103' ' ' SER . 81.0 p -52.92 -24.76 9.94 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.406 ' C ' ' O ' ' Y' ' 101' ' ' SER . 14.1 t -40.13 -24.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.411 0.624 . . . . 0.0 109.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.505 ' N ' ' O ' ' Y' ' 101' ' ' SER . 80.0 p -50.09 -26.89 4.88 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' Y' ' 104' ' ' ARG . 49.7 mtt-85 -61.69 -40.44 95.02 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 122.044 0.926 . . . . 0.0 108.929 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' B' ' 52' ' ' VAL . 2.1 m-70 -60.16 -38.6 83.67 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.212 -0.93 . . . . 0.0 108.617 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -56.74 -29.4 62.5 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.03 -39.98 87.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.039 -1.038 . . . . 0.0 108.544 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.1 mt -75.18 -24.71 57.89 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.969 -1.082 . . . . 0.0 109.256 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.02 -24.64 64.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 119.846 -1.784 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 1.1 p90 -45.58 -47.23 14.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.035 -1.04 . . . . 0.0 110.105 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.579 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 6.4 pttt -68.24 -35.86 78.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.864 -1.148 . . . . 0.0 109.235 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.441 -0.787 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 2' ' ' GLU . 27.9 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.296 0.569 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.07 12.62 0.09 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.261 -0.899 . . . . 0.0 110.082 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 5' ' ' LYS . 98.9 mt-10 -72.72 1.92 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.9 tp -43.06 -26.46 0.15 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.976 -0.453 . . . . 0.0 110.465 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 8' ' ' VAL . 11.7 pt-20 -70.0 -39.23 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 108.5 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.04 -39.05 75.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.766 -0.584 . . . . 0.0 109.963 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.03 85.22 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 110.859 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.5 mtt -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.184 -0.948 . . . . 0.0 109.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 4' ' ' GLU . 75.3 t -63.94 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 O-C-N 121.31 -0.869 . . . . 0.0 110.135 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.16 68.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.28 -0.888 . . . . 0.0 110.258 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -69.16 -37.74 76.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.181 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.02 -43.15 95.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.001 -1.062 . . . . 0.0 111.1 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -43.23 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.935 -1.103 . . . . 0.0 110.742 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -39.96 87.72 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.947 -1.096 . . . . 0.0 109.287 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.09 -36.41 77.35 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.529 -0.732 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.87 -39.87 86.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.914 -1.116 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.94 -26.42 18.43 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.68 -1.263 . . . . 0.0 111.992 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 t -60.52 -40.66 92.26 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 109.367 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.58 30.88 3.36 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.63 -60.77 2.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.935 -1.332 . . . . 0.0 110.004 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -107.15 -15.48 14.66 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.34 -0.28 5.13 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -81.71 67.27 7.62 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.858 -1.377 . . . . 0.0 108.508 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.871 . . . . 0.0 110.332 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -80.42 -14.13 58.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.215 -0.928 . . . . 0.0 111.539 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 39.8 pttt -142.84 162.5 35.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.884 -1.135 . . . . 0.0 109.546 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.12 115.24 15.5 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.13 -0.981 . . . . 0.0 108.851 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.9 mttm -79.79 155.67 27.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.727 -1.233 . . . . 0.0 110.444 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -49.12 -21.8 0.82 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 28' ' ' LYS . 89.6 p -76.09 -49.95 16.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.826 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.31 -30.36 68.41 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.09 -44.08 95.06 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.14 -40.05 88.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.461 -0.775 . . . . 0.0 110.488 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.36 -40.01 95.0 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.067 -1.021 . . . . 0.0 109.39 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 4.7 tt -62.23 -50.1 73.11 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.216 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.48 HG23 HD12 ' A' ' 40' ' ' LEU . 61.4 mt -69.59 -44.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 111.447 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 8.8 m120 -67.94 -39.94 83.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.723 -1.235 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.66 -29.81 12.46 Favored 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tp10 -79.11 -9.53 59.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.057 -1.652 . . . . 0.0 108.22 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 36' ' ' ILE . 19.8 mt -127.27 59.73 1.42 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -60.03 -41.54 92.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.174 -0.954 . . . . 0.0 110.028 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -145.75 7.51 1.1 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 0.0 109.436 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -90.03 -10.55 44.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.139 -0.976 . . . . 0.0 110.185 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 tp -159.42 164.53 34.52 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.96 118.98 7.41 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.595 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.87 165.96 12.07 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.394 -0.816 . . . . 0.0 109.143 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.486 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 50.2 mm -95.94 119.9 44.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -12.29 22.03 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.413 -0.804 . . . . 0.0 109.094 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 94.1 mt-10 -140.02 147.63 40.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.299 -0.875 . . . . 0.0 110.231 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.87 64.51 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 21.9 pt-20 -59.93 -38.3 81.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.078 -1.014 . . . . 0.0 109.525 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' A' ' 47' ' ' ILE . 57.6 t -60.0 -38.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.9 t -65.49 -38.03 81.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.26 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.81 -36.58 82.69 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.73 -39.99 84.23 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.69 -34.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.0 mmm -68.84 -29.78 68.18 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.522 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -57.41 -36.16 70.96 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 119.978 -1.701 . . . . 0.0 106.476 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -78.86 -46.38 18.73 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 16.5 mt -88.23 -14.62 38.02 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.782 -1.199 . . . . 0.0 110.547 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.63 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 60.2 t0 -79.98 62.89 4.33 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -58.78 -40.01 82.73 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.752 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 45.7 p-10 -82.75 -3.09 56.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.203 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.24 34.7 90.26 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.883 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 p-10 -106.29 1.08 25.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.01 -1.288 . . . . 0.0 110.397 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.63 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.36 11.75 84.8 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -140.01 128.78 23.22 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -105.8 130.45 53.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.355 -0.84 . . . . 0.0 108.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.44 166.04 22.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.439 -0.788 . . . . 0.0 110.371 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.87 -35.76 34.4 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -69.99 -37.9 75.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.095 -1.003 . . . . 0.0 109.601 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 45.9 mt-10 -70.04 -41.26 74.45 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.679 -1.263 . . . . 0.0 109.662 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' ' 77' ' ' VAL . 70.2 t80 -70.07 -26.27 63.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 108.944 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -37.33 79.38 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.6 73.69 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.989 -1.084 . . . . 0.0 109.969 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.98 -40.05 91.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 110.461 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.74 -37.2 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 109.805 -178.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -66.52 -39.95 88.91 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.273 -0.971 . . . . 0.0 108.93 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.53 ' O ' ' NZ ' ' X' ' 111' ' ' LYS . 84.5 mtp -62.26 -47.25 85.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 0.0 110.973 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.98 -34.26 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.12 -0.987 . . . . 0.0 109.698 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -39.38 85.6 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 m -59.0 -39.98 83.47 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.92 87.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 0.0 109.052 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.1 m -59.35 -34.23 72.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 15.4 t-80 -60.02 -40.72 90.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.563 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.18 -45.22 93.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -71.82 -40.01 69.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.383 -0.823 . . . . 0.0 109.439 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.02 64.69 3.37 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' A' ' 91' ' ' GLU . 3.5 pt-20 -81.25 94.83 6.78 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.161 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.1 -43.38 95.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' OE2' ' OE1' ' A' ' 89' ' ' GLU . 96.8 mt-10 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 . -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.455 ' O ' ' N ' ' B' ' 2' ' ' GLU . 28.2 ttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.293 0.568 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.03 12.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.115 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' B' ' 5' ' ' LYS . 97.8 mt-10 -72.31 1.58 7.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.288 -0.883 . . . . 0.0 108.777 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp -42.98 -26.61 0.15 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 122.002 -0.436 . . . . 0.0 110.506 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.451 ' O ' HG23 ' B' ' 8' ' ' VAL . 11.8 pt-20 -70.03 -39.19 75.91 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.824 -1.172 . . . . 0.0 108.472 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.0 -39.25 75.99 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.778 -0.576 . . . . 0.0 109.934 179.647 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.92 85.21 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 110.882 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.13 -39.19 82.78 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.727 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 4' ' ' GLU . 69.1 t -64.0 -40.06 87.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 110.07 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.31 69.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.363 -0.836 . . . . 0.0 110.25 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -39.98 87.49 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.22 -37.78 76.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.98 -43.19 95.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.024 -1.048 . . . . 0.0 111.139 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -43.23 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.976 -1.078 . . . . 0.0 110.687 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.864 -1.147 . . . . 0.0 109.229 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -60.2 -36.32 77.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.546 -0.721 . . . . 0.0 111.071 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.91 -40.0 87.31 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.83 -1.169 . . . . 0.0 110.844 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -91.72 -26.11 18.76 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.699 -1.251 . . . . 0.0 112.159 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -60.63 -40.9 93.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.826 -1.171 . . . . 0.0 109.347 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.26 30.65 3.3 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -65.54 -60.8 2.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.911 -1.346 . . . . 0.0 110.022 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -107.37 -15.76 14.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.547 -0.721 . . . . 0.0 109.093 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.4 -1.55 4.88 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.37 67.43 7.31 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.88 -1.365 . . . . 0.0 108.646 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -69.98 -39.96 75.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.43 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -80.41 -13.99 58.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.186 -0.946 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -142.98 162.36 35.66 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.896 -1.128 . . . . 0.0 109.572 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.93 115.03 15.35 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.213 -0.93 . . . . 0.0 108.973 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 30' ' ' SER . 59.6 mttm -79.74 155.64 27.86 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.773 -1.205 . . . . 0.0 110.491 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -49.0 -21.89 0.76 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.462 ' N ' ' C ' ' B' ' 28' ' ' LYS . 91.8 p -75.94 -49.94 16.35 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.914 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.35 -30.36 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.02 -44.19 94.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.491 -0.756 . . . . 0.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.5 -39.95 94.75 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.099 -1.0 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 4.6 tt -62.33 -49.94 73.6 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.834 -1.166 . . . . 0.0 109.276 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.466 HG23 HD12 ' B' ' 40' ' ' LEU . 62.0 mt -69.59 -44.48 79.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.19 -0.944 . . . . 0.0 111.352 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 8.8 m120 -67.84 -39.96 83.79 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.696 -1.252 . . . . 0.0 111.47 -178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.71 -30.07 12.29 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tp10 -78.96 -9.24 59.46 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.08 -1.638 . . . . 0.0 108.287 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.466 HD12 HG23 ' B' ' 36' ' ' ILE . 17.8 mt -127.77 59.81 1.46 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -59.92 -41.59 92.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 109.947 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -145.8 7.39 1.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.98 -1.075 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.01 -10.37 45.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.138 -0.976 . . . . 0.0 110.118 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tp -159.55 164.42 34.31 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.94 118.88 7.26 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 118.948 -1.101 . . . . 0.0 108.612 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.76 166.04 11.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.147 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.479 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 48.5 mm -96.1 119.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -12.4 22.06 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.096 -177.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.434 ' OE1' ' OE2' ' B' ' 51' ' ' GLU . 93.4 mt-10 -140.0 147.67 40.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.317 -0.864 . . . . 0.0 110.21 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -22.97 64.55 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' OE1' ' B' ' 49' ' ' GLU . 22.0 pt-20 -59.9 -38.32 81.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.085 -1.009 . . . . 0.0 109.512 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' B' ' 47' ' ' ILE . 58.6 t -60.0 -38.84 78.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.265 -0.897 . . . . 0.0 108.801 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 t -65.38 -38.51 82.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 121.769 -0.582 . . . . 0.0 110.119 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -66.35 -36.72 83.6 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.386 -0.821 . . . . 0.0 110.022 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.8 -40.03 83.95 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.73 -34.43 70.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.597 ' O ' ' N ' ' B' ' 61' ' ' ASP . 78.9 mmm -69.06 -29.73 67.92 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.334 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.02 -36.7 70.76 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 28.4 m -78.6 -46.5 19.18 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.373 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 15.0 mt -88.0 -14.94 37.77 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.852 -1.155 . . . . 0.0 110.578 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 60.7 t0 -79.94 62.63 4.21 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -58.54 -39.93 81.59 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.813 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 45.0 p-10 -82.69 -3.17 55.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.09 -1.006 . . . . 0.0 109.263 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.77 90.23 Favored Glycine 0 N--CA 1.497 2.728 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.827 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 50.2 p-10 -106.48 1.01 25.17 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.036 -1.273 . . . . 0.0 110.416 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.616 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.24 11.89 84.6 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -140.05 128.58 22.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.77 130.69 53.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.259 -0.9 . . . . 0.0 108.811 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.65 165.92 22.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.459 -0.775 . . . . 0.0 110.372 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -50.71 -36.01 34.05 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.86 -37.93 76.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.086 -1.009 . . . . 0.0 109.587 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 45.7 mt-10 -69.97 -41.33 74.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.635 -1.291 . . . . 0.0 109.732 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.451 ' CE2' HG22 ' B' ' 77' ' ' VAL . 70.6 t80 -70.03 -26.13 63.9 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.087 -1.008 . . . . 0.0 108.851 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.57 79.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.63 73.85 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.129 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.89 -40.0 91.37 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.083 -1.01 . . . . 0.0 110.575 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -60.87 -37.0 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.747 -0.596 . . . . 0.0 109.847 -178.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -66.44 -39.99 89.22 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.394 -0.923 . . . . 0.0 108.964 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.54 ' O ' ' NZ ' ' Y' ' 111' ' ' LYS . 84.8 mtp -62.51 -47.38 84.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.671 -0.643 . . . . 0.0 111.006 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.86 -34.22 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.094 -1.004 . . . . 0.0 109.642 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.49 85.75 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.803 0.811 . . . . 0.0 108.88 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -58.77 -39.98 82.6 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.236 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -59.25 -34.21 71.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.432 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 15.1 t-80 -60.04 -40.73 90.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.071 -1.018 . . . . 0.0 109.542 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.11 -44.99 94.46 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -72.08 -40.0 68.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.06 64.69 3.35 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' B' ' 91' ' ' GLU . 3.2 pt-20 -81.31 94.94 6.84 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.149 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.13 -43.59 94.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.51 -0.744 . . . . 0.0 109.925 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.428 ' OE2' ' OE1' ' B' ' 89' ' ' GLU . 97.4 mt-10 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.323 -0.861 . . . . 0.0 . -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -81.33 141.79 33.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 69.5 mt -99.98 121.05 40.77 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.32 -0.862 . . . . 0.0 109.017 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' X' ' 95' ' ' LYS . 53.2 pttt -69.96 -20.2 63.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t 58.53 37.59 25.49 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.249 -0.907 . . . . 0.0 110.011 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' X' ' 95' ' ' LYS . 37.3 ttpt -99.21 133.43 43.51 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.246 -0.909 . . . . 0.0 109.368 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.219 -0.926 . . . . 0.0 109.468 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.09 -155.66 42.43 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -131.07 -161.02 1.09 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.566 -0.961 . . . . 0.0 109.105 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 45.3 m -52.9 -24.86 10.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.889 . . . . 0.0 109.038 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -43.67 -25.03 0.15 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.343 -0.848 . . . . 0.0 110.41 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 78.5 p -60.49 -40.46 91.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.824 -1.172 . . . . 0.0 108.504 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -69.93 -40.44 75.52 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.93 0.871 . . . . 0.0 108.792 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.55 -38.28 86.86 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.99 -33.37 71.87 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.7 -40.06 86.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.757 -1.214 . . . . 0.0 109.138 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.51 -30.35 69.15 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.153 -0.967 . . . . 0.0 109.292 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.427 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.6 mmt -58.19 -24.5 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 110.012 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.8 p90 -40.02 -49.9 2.53 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.174 -0.954 . . . . 0.0 110.829 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.556 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.19 -25.52 39.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.717 -1.24 . . . . 0.0 109.991 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 73.2 p -59.72 -38.39 81.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.521 -1.362 . . . . 0.0 108.241 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.303 -1.417 0 O-C-N 121.344 -0.847 . . . . 0.0 . 179.124 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.316 0.579 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.51 141.92 33.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.98 120.9 40.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.36 -0.838 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' Y' ' 97' ' ' LYS . 54.4 pttt -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.83 . . . . 0.0 109.545 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 58.16 38.23 26.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' Y' ' 95' ' ' LYS . 37.2 ttpt -99.84 133.39 44.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.203 -0.935 . . . . 0.0 109.247 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.179 -0.951 . . . . 0.0 109.397 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.23 -155.78 42.71 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -130.93 -160.98 1.09 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.621 -0.929 . . . . 0.0 109.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 48.1 m -52.93 -24.73 9.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.0 109.026 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -43.75 -25.19 0.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.337 -0.852 . . . . 0.0 110.368 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -40.48 90.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.852 -1.155 . . . . 0.0 108.513 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.524 ' CG ' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -69.96 -40.48 75.37 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.903 0.858 . . . . 0.0 108.799 179.287 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.419 ' CD2' HG22 ' B' ' 52' ' ' VAL . 4.5 m-70 -61.27 -38.45 86.8 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.99 -33.4 71.92 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -59.66 -40.05 86.47 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.769 -1.207 . . . . 0.0 109.109 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.88 -29.87 68.25 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.113 -0.992 . . . . 0.0 109.272 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.429 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 15.4 mmt -58.54 -24.52 60.85 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.856 -1.152 . . . . 0.0 109.945 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.7 p90 -39.97 -49.87 2.49 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.895 . . . . 0.0 110.836 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.16 -25.51 39.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.65 -1.281 . . . . 0.0 110.03 -179.493 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 74.6 p -59.9 -37.6 79.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.57 -1.331 . . . . 0.0 108.417 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 C--N 1.304 -1.373 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.116 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.404 ' C ' ' N ' ' A' ' 2' ' ' GLU . 48.9 ttp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.265 0.555 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 49.77 16.8 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.315 -0.865 . . . . 0.0 110.052 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 0' ' ' MET . 21.5 pt-20 -74.65 19.35 0.14 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.1 tp -60.0 -36.13 76.54 Favored 'General case' 0 C--O 1.204 -1.317 0 O-C-N 121.584 -0.698 . . . . 0.0 109.311 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.0 -38.5 82.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.426 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -63.91 -39.98 95.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.41 -0.806 . . . . 0.0 109.685 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.02 83.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.307 -0.871 . . . . 0.0 110.789 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.42 -39.99 95.11 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.083 -1.01 . . . . 0.0 109.382 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.48 -39.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.662 -0.649 . . . . 0.0 109.293 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.684 -0.635 . . . . 0.0 111.544 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.91 -40.1 87.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.721 -1.237 . . . . 0.0 108.383 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.9 mt -68.23 -38.08 79.03 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.875 -0.516 . . . . 0.0 111.224 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -68.62 -40.02 80.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.613 -1.304 . . . . 0.0 111.657 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.41 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.14 -37.59 77.65 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.11 -26.94 65.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.694 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.04 -42.91 95.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.744 -1.222 . . . . 0.0 110.131 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 66.6 m-85 -91.78 -40.32 11.29 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.91 -1.119 . . . . 0.0 112.018 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -60.11 -40.12 88.6 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.116 -0.99 . . . . 0.0 111.188 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.12 -9.04 62.86 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.498 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' A' ' 34' ' ' GLU . 39.5 ttm180 -69.63 -43.04 73.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.944 -1.327 . . . . 0.0 110.16 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASP . 87.2 tt0 -113.79 152.89 29.97 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.624 -0.673 . . . . 0.0 109.722 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 -19.51 0.04 OUTLIER Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.15 58.46 0.7 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.8 -1.412 . . . . 0.0 109.229 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -61.0 -40.78 94.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.054 -1.029 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -99.39 0.04 41.94 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.23 -0.919 . . . . 0.0 110.061 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' ASP . 97.5 mttt -141.38 169.03 18.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.044 -1.035 . . . . 0.0 110.561 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' OE1' ' A' ' 31' ' ' GLU . 62.1 mt -135.86 137.37 41.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.652 -0.655 . . . . 0.0 110.293 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 30' ' ' SER . 31.2 mmtp -100.3 153.47 19.27 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -47.22 -23.38 0.53 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.788 -1.195 . . . . 0.0 108.79 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 47.6 t -74.45 -55.19 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.73 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.7 tt0 -68.63 -29.52 68.04 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.792 -1.192 . . . . 0.0 108.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.71 -40.29 94.53 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.38 -39.97 89.17 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.369 -0.832 . . . . 0.0 111.138 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 9.7 mp0 -68.37 -33.46 74.3 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.896 -1.128 . . . . 0.0 108.616 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.1 tt -62.75 -50.96 69.02 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.987 -1.071 . . . . 0.0 108.317 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -76.3 -47.54 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.163 -0.96 . . . . 0.0 111.833 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.497 HD22 ' HG3' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -65.07 -40.05 94.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.274 -0.891 . . . . 0.0 112.712 -176.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.98 -37.73 10.07 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.088 -1.008 . . . . 0.0 112.533 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 62.3 tt0 -68.03 -40.54 82.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.609 -1.307 . . . . 0.0 109.161 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.6 64.03 0.8 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.64 -0.662 . . . . 0.0 109.282 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -60.12 -40.07 88.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 0.0 110.095 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -136.38 -18.6 1.48 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.218 -0.926 . . . . 0.0 110.562 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.04 -39.99 91.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.897 -1.127 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -127.49 159.72 33.67 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.2 pt-20 -53.86 113.02 1.06 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.66 -1.216 . . . . 0.0 108.847 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' HG3' HD22 ' A' ' 37' ' ' ASN . 88.1 tt0 -66.46 150.01 49.57 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 109.512 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mt -88.04 139.95 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.103 -0.998 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -114.81 -13.01 12.04 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.542 -0.724 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.4 tp10 -138.32 135.81 35.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.204 -0.935 . . . . 0.0 109.611 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.787 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -63.61 -22.03 66.68 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.4 -0.812 . . . . 0.0 110.571 -178.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 19.3 pt-20 -60.02 -39.14 84.83 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.709 -1.245 . . . . 0.0 109.686 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 69.0 t -59.94 -40.02 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.67 -39.93 84.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.265 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.28 -39.94 92.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.286 -0.884 . . . . 0.0 109.776 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.572 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 34.1 ttmt -64.69 -39.99 94.61 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 121.936 0.874 . . . . 0.0 108.647 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 t -66.21 -30.75 50.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 82.4 mmm -69.98 -26.85 64.29 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.672 -0.811 . . . . 0.0 108.985 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -39.96 87.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -77.79 -41.39 37.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.775 -0.578 . . . . 0.0 111.174 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 76' ' ' PHE . 24.2 mt -88.23 -17.66 30.32 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.797 -1.189 . . . . 0.0 111.02 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.5 t0 -80.98 58.63 3.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.97 -33.18 71.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.94 -8.89 59.28 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.92 32.21 79.01 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 7.2 p30 -107.56 3.67 25.16 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.232 -1.158 . . . . 0.0 110.435 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.479 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.07 4.46 89.7 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.93 140.58 36.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.629 -0.924 . . . . 0.0 108.683 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.68 138.54 45.89 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 121.817 0.818 . . . . 0.0 109.03 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 37.8 t0 -81.55 170.18 16.18 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.371 0.605 . . . . 0.0 109.984 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.546 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 6.9 t80 -53.9 -39.92 66.19 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.25 -50.93 71.71 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.365 -0.835 . . . . 0.0 110.901 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 40.1 mt-10 -61.52 -40.18 93.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.079 -1.013 . . . . 0.0 110.897 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.8 -36.55 84.25 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.418 -0.801 . . . . 0.0 109.702 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.3 mmm -60.0 -38.61 83.14 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.29 0.567 . . . . 0.0 111.033 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.29 74.61 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.622 -1.298 . . . . 0.0 111.223 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.628 ' HB2' HD21 ' A' ' 60' ' ' LEU . 45.2 t80 -66.36 -29.55 69.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.112 -0.993 . . . . 0.0 110.463 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.4 t -66.42 -38.88 82.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.389 -0.819 . . . . 0.0 109.446 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -63.06 -40.49 97.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 mtm -70.8 -40.9 72.24 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.465 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.521 ' HA ' ' HZ3' ' X' ' 111' ' ' LYS . 66.7 t -65.62 -37.93 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.779 -1.2 . . . . 0.0 109.932 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -59.98 -38.42 82.49 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.0 m -58.47 -39.96 81.41 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.92 84.11 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.563 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 7.7 t -59.96 -37.89 80.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.713 -0.617 . . . . 0.0 110.272 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -59.8 -40.0 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.032 -1.042 . . . . 0.0 108.84 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -66.17 -34.13 77.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 109.299 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -92.49 -23.61 19.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.339 -0.85 . . . . 0.0 111.196 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 3.2 m-85 -93.4 22.55 5.18 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.772 -1.205 . . . . 0.0 109.109 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.15 99.66 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 109.395 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -59.96 -40.15 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.772 -0.58 . . . . 0.0 . 179.279 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.307 0.575 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.546 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 49.9 16.93 0.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -74.83 19.54 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' B' ' 1' ' ' SER . 58.5 tp -60.09 -36.14 76.75 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -59.97 -38.91 83.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.197 -0.939 . . . . 0.0 109.379 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.63 -40.02 95.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.283 -0.885 . . . . 0.0 109.749 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.85 -40.08 83.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -62.15 -40.04 94.63 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.111 -0.993 . . . . 0.0 109.435 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.65 -39.89 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 95.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.659 -0.651 . . . . 0.0 111.527 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.748 -1.22 . . . . 0.0 108.39 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.46 -38.13 78.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.821 -0.549 . . . . 0.0 111.161 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.39 -40.11 81.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.688 -1.257 . . . . 0.0 111.645 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -39.8 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.902 . . . . 0.0 109.665 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -58.75 -37.74 76.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.437 -0.789 . . . . 0.0 109.055 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -68.99 -27.13 65.42 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.292 -0.88 . . . . 0.0 110.671 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.99 -42.74 94.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.68 -1.263 . . . . 0.0 110.152 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.425 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 66.0 m-85 -91.93 -40.21 11.27 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.936 -1.102 . . . . 0.0 112.053 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.3 -40.11 89.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 111.227 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.2 -8.95 62.95 Favored Glycine 0 N--CA 1.492 2.396 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.467 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.414 HH12 ' HB3' ' B' ' 34' ' ' GLU . 41.0 ttm180 -69.78 -42.9 73.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.901 -1.352 . . . . 0.0 110.031 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 23' ' ' ASP . 84.8 tt0 -113.48 152.98 29.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.667 -0.646 . . . . 0.0 109.708 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.24 -18.9 0.04 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.5 m-20 -74.3 58.15 0.71 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.827 -1.396 . . . . 0.0 109.209 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -60.52 -40.92 93.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.085 -1.009 . . . . 0.0 110.19 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -99.4 0.01 41.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.206 -0.934 . . . . 0.0 110.201 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 97.1 mttt -141.17 168.99 18.46 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.122 -0.986 . . . . 0.0 110.678 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' B' ' 27' ' ' LEU . 59.1 mt -135.85 137.21 41.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.685 -0.634 . . . . 0.0 110.351 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' B' ' 29' ' ' LYS . 30.5 mmtp -100.21 153.53 19.2 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 50.9 pttt -47.32 -23.38 0.56 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.846 -1.159 . . . . 0.0 108.796 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.46 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 47.5 t -74.34 -55.21 6.27 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.695 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 31.8 tt0 -68.51 -29.78 68.45 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.876 -1.14 . . . . 0.0 108.076 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.87 -40.05 94.01 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.28 -40.0 88.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 111.116 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 9.9 mp0 -68.44 -33.48 74.27 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.922 -1.111 . . . . 0.0 108.608 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.69 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.0 tt -62.6 -51.24 68.09 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 118.887 -1.125 . . . . 0.0 108.258 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -76.17 -47.55 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.841 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.484 HD22 ' HG3' ' B' ' 46' ' ' GLU . 0.9 OUTLIER -65.2 -40.0 93.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 0.0 112.706 -176.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -38.15 10.03 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.059 -1.025 . . . . 0.0 112.488 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 63.5 tt0 -67.68 -40.34 84.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.537 -1.352 . . . . 0.0 109.28 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.5 63.56 0.79 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.565 -0.709 . . . . 0.0 109.338 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -59.99 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 110.207 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.4 -18.82 1.46 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.185 -0.947 . . . . 0.0 110.457 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.929 -1.107 . . . . 0.0 109.945 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 tp -127.57 159.78 33.57 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 11.1 pt-20 -53.83 112.97 1.04 Allowed 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.807 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.484 ' HG3' HD22 ' B' ' 37' ' ' ASN . 87.9 tt0 -66.45 149.99 49.59 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.397 -0.815 . . . . 0.0 109.516 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.02 140.02 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.182 -0.948 . . . . 0.0 109.983 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -114.91 -12.95 11.98 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.482 -0.761 . . . . 0.0 109.385 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 48.8 tp10 -138.43 135.66 35.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.794 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -63.25 -22.38 66.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.366 -0.834 . . . . 0.0 110.61 -178.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 19.2 pt-20 -59.95 -39.07 84.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.729 -1.232 . . . . 0.0 109.621 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.0 -40.03 81.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.57 -40.08 85.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.77 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.641 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 34.1 ttmt -64.51 -40.04 94.9 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.5 t -66.12 -30.68 50.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.4 mmm -69.95 -27.16 64.52 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.042 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.82 -39.98 86.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -77.8 -41.31 37.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.727 -0.608 . . . . 0.0 111.208 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' B' ' 76' ' ' PHE . 24.2 mt -88.21 -17.88 29.89 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.789 -1.195 . . . . 0.0 110.992 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -81.02 58.9 3.61 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -60.06 -33.51 72.15 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 68.4 m-20 -78.68 -8.88 59.12 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.84 32.02 77.96 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 7.2 p30 -107.35 3.65 25.56 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.279 -1.13 . . . . 0.0 110.415 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.06 4.58 89.72 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.97 140.61 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.639 -0.918 . . . . 0.0 108.686 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 138.37 46.22 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.357 -0.84 . . . . 0.0 109.019 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.0 t0 -81.27 170.43 16.07 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.406 0.622 . . . . 0.0 109.938 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.553 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 6.8 t80 -54.25 -40.01 67.34 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -60.14 -50.87 72.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.416 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 40.1 mt-10 -61.6 -40.09 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.031 -1.043 . . . . 0.0 110.823 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.74 -36.73 84.83 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.415 -0.803 . . . . 0.0 109.693 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.04 -38.55 83.06 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.3 0.571 . . . . 0.0 111.038 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.36 74.86 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.677 -1.265 . . . . 0.0 111.175 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.647 ' HB2' HD21 ' B' ' 60' ' ' LEU . 48.4 t80 -66.43 -29.47 69.62 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.083 -1.011 . . . . 0.0 110.429 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.4 t -66.33 -39.03 83.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -63.37 -40.15 96.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 0.0 110.336 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 5.9 mtm -70.8 -40.88 72.27 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.13 -0.982 . . . . 0.0 111.451 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.514 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 65.7 t -65.59 -37.94 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.792 -1.192 . . . . 0.0 109.829 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -59.95 -38.61 82.94 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 m -58.29 -40.02 80.84 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.34 85.6 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 8.4 t -59.87 -37.64 79.92 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.767 -0.583 . . . . 0.0 110.204 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.87 -40.01 87.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.928 -1.108 . . . . 0.0 108.789 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.24 -34.0 77.03 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.455 -0.778 . . . . 0.0 109.257 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -92.58 -23.5 19.02 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.387 -0.821 . . . . 0.0 111.326 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 3.2 m-85 -93.51 22.62 5.2 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.769 -1.207 . . . . 0.0 109.033 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -57.34 99.72 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.796 -0.761 . . . . 0.0 109.392 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.467 -0.771 . . . . 0.0 109.023 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.727 -0.608 . . . . 0.0 . 179.227 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -75.29 146.66 40.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.295 -0.878 . . . . 0.0 109.551 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.19 129.99 39.27 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.186 -0.947 . . . . 0.0 108.608 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . 0.451 ' HD3' ' H ' ' X' ' 95' ' ' LYS . 0.0 OUTLIER -62.74 -41.21 99.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.677 -179.285 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . 0.42 ' C ' ' O ' ' X' ' 95' ' ' LYS . 15.0 t 40.89 47.49 2.57 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.553 -0.717 . . . . 0.0 110.001 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -101.63 115.41 30.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 109.32 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -94.59 0.21 55.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.91 -173.69 28.25 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -103.49 139.91 38.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.98 . . . . 0.0 110.1 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.52 ' O ' ' N ' ' X' ' 103' ' ' SER . 99.4 p -62.3 -27.84 69.31 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.461 -0.775 . . . . 0.0 109.125 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.2 t -40.37 -24.66 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.691 0.758 . . . . 0.0 109.611 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.52 ' N ' ' O ' ' X' ' 101' ' ' SER . 28.0 t -50.05 -28.63 7.37 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.434 -0.792 . . . . 0.0 109.11 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.457 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.91 -40.07 87.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.86 . . . . 0.0 110.617 -179.223 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.662 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.3 p-80 -60.89 -40.08 91.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.625 -1.297 . . . . 0.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.662 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.7 ttpt -60.88 -37.59 82.71 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.601 0.715 . . . . 0.0 109.553 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.31 -39.96 76.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.119 -0.988 . . . . 0.0 109.265 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.756 HD11 ' NZ ' ' X' ' 111' ' ' LYS . 10.2 tp -71.73 -26.41 62.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.268 -0.895 . . . . 0.0 109.612 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.43 ' O ' ' C ' ' X' ' 110' ' ' PHE . 17.3 mmt -57.45 -24.61 56.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.928 -1.107 . . . . 0.0 109.595 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -40.0 -49.56 2.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.756 ' NZ ' HD11 ' X' ' 108' ' ' LEU . 9.4 ptpt -73.35 -32.71 64.69 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 79.6 p -59.98 -37.91 81.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.471 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.571 -0.706 . . . . 0.0 . 178.501 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -75.27 146.71 40.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.39 129.8 38.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.149 -0.969 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . 0.446 ' HD3' ' H ' ' Y' ' 95' ' ' LYS . 0.0 OUTLIER -62.29 -41.41 98.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 109.729 -179.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . 0.41 ' C ' ' O ' ' Y' ' 95' ' ' LYS . 11.6 t 41.21 46.64 2.72 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 110.132 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.28 115.55 30.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.251 -0.906 . . . . 0.0 109.304 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -94.7 0.2 54.83 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.302 -0.874 . . . . 0.0 109.241 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.17 -173.65 27.89 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -103.48 139.68 38.5 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -1.004 . . . . 0.0 110.071 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.529 ' O ' ' N ' ' Y' ' 103' ' ' SER . 95.2 p -62.09 -27.8 69.17 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.369 -0.832 . . . . 0.0 109.169 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.561 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.0 t -40.36 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.669 0.747 . . . . 0.0 109.646 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.529 ' N ' ' O ' ' Y' ' 101' ' ' SER . 23.1 t -50.05 -28.55 7.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.449 -0.782 . . . . 0.0 109.081 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.471 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.1 OUTLIER -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 0.0 110.738 -179.182 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.659 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.5 p-80 -60.85 -40.1 91.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.736 -1.228 . . . . 0.0 109.247 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.659 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.5 ttpt -60.7 -37.43 81.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.569 -0.707 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.59 -40.04 78.14 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.0 109.192 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.753 HD11 ' NZ ' ' Y' ' 111' ' ' LYS . 9.4 tp -71.52 -26.58 62.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.317 -0.864 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.438 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 17.4 mmt -57.37 -24.57 56.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.174 . . . . 0.0 109.638 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.585 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.6 p90 -40.08 -49.5 2.57 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.384 -0.822 . . . . 0.0 110.103 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.753 ' NZ ' HD11 ' Y' ' 108' ' ' LEU . 9.6 ptpt -73.2 -33.16 65.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 77.0 p -60.04 -37.08 78.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.976 -1.077 . . . . 0.0 108.587 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.527 -0.733 . . . . 0.0 . 178.327 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.421 ' O ' ' OG ' ' A' ' 1' ' ' SER . 67.5 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 0' ' ' MET . 5.2 p 61.79 25.65 15.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.242 -0.911 . . . . 0.0 109.508 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.9 mt-10 -76.29 -9.64 58.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.48 -0.763 . . . . 0.0 109.55 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' GLU . 22.8 tp -42.35 -24.15 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.476 -0.765 . . . . 0.0 110.378 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' GLU . 14.0 tm-20 -69.16 -39.86 78.54 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.001 -1.062 . . . . 0.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -73.01 -33.1 65.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.854 -1.154 . . . . 0.0 109.506 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -41.51 76.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 110.861 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.34 -40.02 95.06 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 109.777 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.61 -36.92 78.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.646 -0.659 . . . . 0.0 109.63 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.31 88.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.588 -0.695 . . . . 0.0 111.334 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.99 -39.81 87.02 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.327 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.87 -39.94 82.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -60.48 -40.04 89.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.742 -1.224 . . . . 0.0 111.236 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -32.57 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.149 -0.969 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' A' ' 18' ' ' SER . 84.9 t80 -57.42 -46.39 83.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.131 -0.981 . . . . 0.0 109.193 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -76.73 -22.07 54.37 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.6 -41.92 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.13 -0.981 . . . . 0.0 111.011 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -119.8 -25.05 5.97 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 120.985 -1.072 . . . . 0.0 111.319 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 78.4 p -63.29 -39.97 96.06 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.745 -1.222 . . . . 0.0 109.916 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.68 -1.22 53.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.85 -45.98 90.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.122 -1.222 . . . . 0.0 109.67 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -115.09 171.93 7.37 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-O 121.61 0.719 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -52.98 -30.36 37.3 Favored Glycine 0 N--CA 1.493 2.47 0 O-C-N 121.504 -0.747 . . . . 0.0 111.356 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 26' ' ' LYS . 95.9 m-20 -68.72 46.97 0.06 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.594 -1.533 . . . . 0.0 109.658 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' GLY . 7.5 ttpm? -66.68 -38.78 87.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.923 -1.111 . . . . 0.0 109.534 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -77.82 -15.46 59.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.463 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' O ' ' O ' ' A' ' 23' ' ' ASP . 52.6 pttt -140.8 154.19 46.13 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.797 -1.189 . . . . 0.0 109.304 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.6 110.03 22.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.093 -1.005 . . . . 0.0 109.997 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.8 tttp -81.75 152.41 27.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.767 -1.208 . . . . 0.0 108.245 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.45 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.088 -1.008 . . . . 0.0 108.735 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' LYS . 91.0 p -73.96 -47.84 34.65 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.647 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.88 -34.43 73.55 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.93 -40.65 89.64 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.53 87.01 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 109.542 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.08 -39.82 93.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.468 HD22 ' O ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -60.07 -50.01 75.39 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.453 HG21 ' CD1' ' A' ' 47' ' ' ILE . 96.1 mt -74.49 -46.98 41.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 121.241 -0.912 . . . . 0.0 113.459 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -78.53 -43.21 27.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.702 -1.249 . . . . 0.0 113.026 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' N ' HD22 ' A' ' 38' ' ' ASN . 3.2 m120 -95.98 -32.94 12.35 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -86.12 -11.01 53.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.281 -1.512 . . . . 0.0 110.648 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -113.33 53.9 0.75 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.254 -0.904 . . . . 0.0 109.147 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 43' ' ' PHE . 9.4 p -57.94 100.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.909 . . . . 0.0 109.531 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 55.5 -2.65 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.672 -0.642 . . . . 0.0 110.692 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.0 t80 -69.9 -38.52 76.33 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.881 -1.137 . . . . 0.0 107.975 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.6 tp -129.76 -144.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.0 tt0 -93.96 106.65 18.61 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.124 -0.985 . . . . 0.0 108.725 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -68.41 136.8 53.86 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.04 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 36' ' ' ILE . 64.4 mt -92.9 135.53 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.683 ' NZ ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -109.58 -23.21 11.59 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 110.73 -177.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.3 tp10 -120.81 136.95 54.77 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -60.65 -25.84 66.62 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.652 -0.655 . . . . 0.0 110.724 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.6 pt-20 -59.95 -37.08 78.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.941 -1.099 . . . . 0.0 110.053 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.13 -39.94 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.906 -1.121 . . . . 0.0 108.075 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -65.57 -33.87 66.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 121.863 -0.523 . . . . 0.0 110.071 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.86 -38.32 86.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.973 0.892 . . . . 0.0 109.667 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.02 -39.6 75.69 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.73 -30.64 50.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.68 -39.98 71.71 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.491 -1.38 . . . . 0.0 107.74 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -79.36 -42.92 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.563 -0.711 . . . . 0.0 111.619 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 76' ' ' PHE . 10.8 mt -88.41 -16.64 32.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.823 -1.173 . . . . 0.0 110.908 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.1 t0 -80.68 58.6 3.33 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -60.03 -38.43 82.7 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 1.4 m-20 -73.49 -11.1 60.34 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.19 28.81 67.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.5 p-10 -107.11 4.93 27.41 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -1.117 . . . . 0.0 109.97 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 78.68 2.57 85.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.2 mt-10 -135.99 132.29 36.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.776 -0.837 . . . . 0.0 108.888 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.34 44.83 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.48 164.93 22.03 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.32 -0.863 . . . . 0.0 109.329 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 3.2 t80 -49.18 -39.99 31.41 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -61.87 -46.84 87.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.45 -0.781 . . . . 0.0 110.464 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 36.2 mt-10 -59.97 -40.17 88.16 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.807 -178.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -67.89 -36.45 80.26 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.088 -1.008 . . . . 0.0 109.077 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.434 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 82.1 mmm -60.08 -39.65 86.82 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.675 -0.641 . . . . 0.0 110.701 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -32.36 72.78 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.782 -1.199 . . . . 0.0 110.936 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.612 ' HB2' HD21 ' A' ' 60' ' ' LEU . 33.5 t80 -61.43 -38.26 86.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.895 -1.128 . . . . 0.0 109.717 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.7 -38.03 77.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.7 p -62.01 -40.01 94.21 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.184 -0.948 . . . . 0.0 109.369 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.1 mtp -70.12 -46.56 64.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.571 -0.706 . . . . 0.0 111.71 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.43 -38.0 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.267 -0.895 . . . . 0.0 110.11 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.2 m -60.05 -39.97 87.83 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -52.42 -39.4 60.91 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.76 86.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 88' ' ' PHE . 34.9 m -59.75 -33.15 71.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.516 -0.74 . . . . 0.0 109.665 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.99 -40.08 87.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.953 -1.092 . . . . 0.0 108.83 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.6 -37.96 83.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.37 -0.831 . . . . 0.0 109.712 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -93.81 -21.44 19.28 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.212 -0.93 . . . . 0.0 110.787 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' CYS . 36.6 t80 -80.07 -10.11 59.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.866 -1.146 . . . . 0.0 110.4 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.51 88.24 4.48 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.61 -1.306 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -61.12 -40.01 92.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.274 -0.891 . . . . 0.0 108.8 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.469 -0.769 . . . . 0.0 . 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.8 p 61.83 25.63 15.44 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 109.593 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.6 mt-10 -76.35 -9.32 58.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.488 -0.758 . . . . 0.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 tp -42.47 -24.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 2' ' ' GLU . 14.1 tm-20 -69.07 -39.95 78.79 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -73.01 -33.36 65.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.93 -1.106 . . . . 0.0 109.496 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -41.56 76.73 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.412 -0.805 . . . . 0.0 110.915 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.4 mtt -64.23 -40.02 95.18 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.007 -1.058 . . . . 0.0 109.813 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.7 -36.75 78.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 121.597 -0.69 . . . . 0.0 109.618 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.44 88.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 111.329 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.81 -40.12 87.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.766 -1.209 . . . . 0.0 108.443 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.74 -39.87 82.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -60.55 -40.19 90.67 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.664 -1.273 . . . . 0.0 111.19 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.93 -32.51 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.159 -0.963 . . . . 0.0 109.445 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.45 ' O ' ' OG ' ' B' ' 18' ' ' SER . 85.2 t80 -57.38 -46.28 83.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.261 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -76.71 -22.35 54.02 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.28 -0.887 . . . . 0.0 110.749 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -55.26 -42.32 73.38 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.055 -1.028 . . . . 0.0 110.936 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -119.65 -24.89 6.09 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.986 -1.071 . . . . 0.0 111.448 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 75.0 p -63.52 -40.0 95.89 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.769 -1.207 . . . . 0.0 109.917 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.62 -1.13 52.28 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.025 -1.279 . . . . 0.0 109.594 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.24 172.18 7.24 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.522 -0.736 . . . . 0.0 110.036 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -52.89 -30.9 38.01 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.0 m-20 -68.62 47.12 0.06 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.623 -1.516 . . . . 0.0 109.695 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 22' ' ' GLY . 7.4 ttpm? -66.66 -38.82 87.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.94 -1.1 . . . . 0.0 109.554 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -78.01 -15.12 59.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.409 -0.807 . . . . 0.0 111.397 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' B' ' 23' ' ' ASP . 53.1 pttt -140.98 154.18 45.93 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.743 -1.223 . . . . 0.0 109.421 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 mt -106.49 110.11 22.23 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.139 -0.976 . . . . 0.0 110.004 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' B' ' 30' ' ' SER . 61.6 tttp -81.94 152.33 26.81 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.713 -1.242 . . . . 0.0 108.228 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -44.3 -21.59 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 0.0 108.712 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 28' ' ' LYS . 96.3 p -73.68 -48.23 33.76 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.639 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.51 -34.32 74.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.023 -1.048 . . . . 0.0 108.249 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.08 -40.43 89.49 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.12 -39.8 87.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.361 -0.837 . . . . 0.0 109.601 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -39.78 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.456 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.9 OUTLIER -60.08 -50.0 75.42 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.17 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' B' ' 47' ' ' ILE . 97.0 mt -74.66 -47.02 40.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 O-C-N 121.248 -0.907 . . . . 0.0 113.355 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -78.37 -43.34 27.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.714 -1.241 . . . . 0.0 113.08 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.419 ' N ' HD22 ' B' ' 38' ' ' ASN . 3.2 m120 -96.04 -33.03 12.27 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.157 -0.964 . . . . 0.0 113.49 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.9 -10.93 54.47 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.243 -1.536 . . . . 0.0 110.725 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.1 mt -113.33 53.92 0.75 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.209 -0.932 . . . . 0.0 109.08 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.548 ' C ' ' H ' ' B' ' 43' ' ' PHE . 8.2 p -57.83 100.7 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.217 -0.927 . . . . 0.0 109.547 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.7 m80 55.43 -2.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.702 -0.624 . . . . 0.0 110.671 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.548 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.1 t80 -69.96 -38.51 76.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 108.09 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.476 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.6 tp -129.79 -144.74 0.27 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.476 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.1 tt0 -94.01 106.43 18.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 108.873 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.4 136.73 53.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.148 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' B' ' 36' ' ' ILE . 59.8 mt -92.69 135.5 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.632 ' NZ ' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -109.47 -23.41 11.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.639 -0.663 . . . . 0.0 110.751 -177.36 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.3 tp10 -120.78 137.24 54.62 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.837 . . . . 0.0 109.709 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -60.86 -25.88 66.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.653 -0.655 . . . . 0.0 110.655 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.465 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.7 pt-20 -59.91 -37.0 78.17 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.996 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.16 -39.84 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.925 -1.109 . . . . 0.0 108.128 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.83 -33.86 66.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 O-C-N 121.875 -0.516 . . . . 0.0 110.076 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -66.77 -38.47 86.63 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.096 0.95 . . . . 0.0 109.663 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -69.91 -39.62 76.08 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.231 1.015 . . . . 0.0 108.348 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.67 -30.72 50.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.577 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -63.42 -36.92 85.33 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.66 -40.03 71.72 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.477 -1.389 . . . . 0.0 107.729 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -79.45 -42.73 24.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 0.0 111.598 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' B' ' 76' ' ' PHE . 10.4 mt -88.55 -16.57 32.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.825 -1.172 . . . . 0.0 110.863 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.5 t0 -80.74 58.61 3.37 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.0 -38.43 82.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 1.4 m-20 -73.55 -11.02 60.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 60.24 28.87 67.52 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 41.9 p-10 -107.17 5.07 27.43 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.244 -1.151 . . . . 0.0 109.997 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.458 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 78.64 2.4 85.2 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.6 mt-10 -136.19 132.47 35.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.796 -0.826 . . . . 0.0 108.87 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.99 130.26 44.84 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.47 164.88 22.13 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.341 -0.85 . . . . 0.0 109.301 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.437 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 3.3 t80 -49.13 -39.98 30.73 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.87 -46.76 88.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 110.423 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 36.2 mt-10 -60.08 -40.12 88.43 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 110.648 -177.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.14 -36.16 79.26 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.076 -1.015 . . . . 0.0 109.011 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.437 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 83.5 mmm -59.99 -39.61 86.32 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.363 0.602 . . . . 0.0 110.715 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.39 72.7 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.696 -1.253 . . . . 0.0 110.889 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.627 ' HB2' HD21 ' B' ' 60' ' ' LEU . 34.6 t80 -61.48 -38.06 85.91 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.865 -1.147 . . . . 0.0 109.74 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.475 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.3 t -60.75 -38.08 77.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.834 -0.541 . . . . 0.0 110.072 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 74.1 p -61.91 -40.0 93.96 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.235 -0.915 . . . . 0.0 109.441 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.9 mtp -70.07 -46.54 64.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.544 -0.723 . . . . 0.0 111.793 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.61 -37.82 79.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -60.06 -39.96 87.83 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -52.55 -39.27 61.27 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 88' ' ' PHE . 34.9 m -59.75 -33.1 71.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -59.95 -40.17 88.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.908 -1.12 . . . . 0.0 108.818 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.64 -37.75 82.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.434 -0.791 . . . . 0.0 109.75 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -94.04 -21.48 19.13 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.252 -0.905 . . . . 0.0 110.721 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 36.9 t80 -79.98 -10.01 59.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.907 -1.121 . . . . 0.0 110.368 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' B' ' 89' ' ' GLU . 6.2 pt-20 -78.73 88.23 4.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.528 -1.357 . . . . 0.0 109.458 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -61.04 -40.05 92.11 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.274 -0.891 . . . . 0.0 108.782 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.519 -0.738 . . . . 0.0 . 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.322 0.582 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' X' ' 94' ' ' LEU . 77.3 t60 53.76 -121.53 1.86 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.571 ' H ' ' CD2' ' X' ' 93' ' ' HIS . 82.6 mt -111.47 132.74 54.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -107.42 128.26 54.32 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.281 -0.887 . . . . 0.0 110.084 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 38.0 p -126.66 2.88 6.79 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.582 -0.699 . . . . 0.0 109.132 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.892 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -68.28 136.7 53.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.032 -1.042 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.29 30.2 0.14 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -98.87 136.51 38.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.243 -1.151 . . . . 0.0 109.571 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.513 ' O ' ' N ' ' X' ' 103' ' ' SER . 70.2 m -60.05 -36.84 78.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.528 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 13.1 t -40.5 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.448 0.642 . . . . 0.0 109.725 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.513 ' N ' ' O ' ' X' ' 101' ' ' SER . 33.0 t -47.73 -24.57 0.98 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.683 HH11 ' NZ ' ' A' ' 48' ' ' LYS . 98.5 mtt180 -59.98 -38.3 82.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.654 -0.654 . . . . 0.0 109.751 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.2 p-80 -58.65 -36.23 73.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.602 -1.311 . . . . 0.0 108.794 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 51.9 tptt -59.96 -27.94 67.24 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.85 -42.41 93.6 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.951 -1.093 . . . . 0.0 108.661 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.587 HD21 ' HZ3' ' X' ' 111' ' ' LYS . 4.1 tp -69.11 -40.0 78.6 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -42.39 -24.43 0.05 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.807 -1.183 . . . . 0.0 110.198 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -44.01 -49.06 8.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.226 -0.921 . . . . 0.0 109.498 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -69.42 -34.58 74.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.646 -0.659 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 90.2 m -60.02 -39.92 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.451 -0.781 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.238 0.542 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.572 ' CD2' ' H ' ' Y' ' 94' ' ' LEU . 77.0 t60 53.78 -121.52 1.85 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.85 . . . . 0.0 110.263 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.572 ' H ' ' CD2' ' Y' ' 93' ' ' HIS . 84.8 mt -111.41 132.75 54.22 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -107.42 128.15 54.22 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.296 -0.878 . . . . 0.0 109.995 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 41.4 p -126.71 2.99 6.75 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.12 -40.0 88.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.908 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -68.1 136.49 53.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.242 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.52 29.96 0.13 Allowed Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.91 136.29 39.11 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.248 -1.148 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.499 ' O ' ' N ' ' Y' ' 103' ' ' SER . 75.6 m -59.86 -36.71 77.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.273 -0.892 . . . . 0.0 109.463 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.525 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 12.3 t -40.71 -24.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.564 0.697 . . . . 0.0 109.702 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.499 ' N ' ' O ' ' Y' ' 101' ' ' SER . 34.0 t -47.76 -24.65 1.01 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.632 HH11 ' NZ ' ' B' ' 48' ' ' LYS . 98.1 mtt180 -59.77 -38.38 81.68 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.615 -0.678 . . . . 0.0 109.755 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.61 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.0 p-80 -58.52 -36.36 73.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.661 -1.274 . . . . 0.0 108.795 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.0 tptt -59.99 -28.04 67.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -59.96 -41.98 93.1 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.938 -1.101 . . . . 0.0 108.646 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.511 HD21 ' HZ3' ' Y' ' 111' ' ' LYS . 4.1 tp -69.35 -39.88 77.87 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -42.44 -24.48 0.06 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.842 -1.162 . . . . 0.0 110.183 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -44.04 -49.0 8.89 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.18 -0.95 . . . . 0.0 109.471 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.635 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.6 OUTLIER -69.63 -34.42 74.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 109.32 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.0 -39.84 87.15 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.523 -0.736 . . . . 0.0 . 179.226 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.142 0.496 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 3' ' ' LEU . 3.6 m 58.88 13.97 3.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.305 -0.872 . . . . 0.0 109.69 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -75.63 22.63 0.13 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 1' ' ' SER . 44.8 tp -70.98 -32.11 68.86 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 110.84 -178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -63.8 -39.47 94.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.815 -1.178 . . . . 0.0 111.026 -178.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 5.9 ptpt -72.11 -36.21 69.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.789 -1.194 . . . . 0.0 109.489 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.09 87.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.41 -0.806 . . . . 0.0 110.797 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mtt -62.94 -40.12 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.76 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.19 86.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.892 -0.505 . . . . 0.0 111.812 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -69.41 -39.95 79.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.84 -0.537 . . . . 0.0 111.255 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.4 t0 -59.95 -46.3 89.85 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.714 -1.241 . . . . 0.0 111.787 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -39.89 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.008 -1.058 . . . . 0.0 109.698 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.98 -38.3 75.81 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -70.02 -23.93 63.2 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -59.99 -43.44 95.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.623 -1.298 . . . . 0.0 110.154 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -93.88 -36.68 12.1 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 120.764 -1.21 . . . . 0.0 111.886 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 t -59.99 -47.08 87.28 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.952 -1.093 . . . . 0.0 110.054 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.45 -5.29 89.91 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -60.06 -48.89 79.85 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.892 -1.358 . . . . 0.0 109.055 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.86 -73.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 23' ' ' ASP . . . 175.33 -7.45 0.03 OUTLIER Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 26' ' ' LYS . 9.9 m-20 -83.63 72.3 10.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -1.221 . . . . 0.0 109.615 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -69.91 -40.03 75.82 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.219 -0.926 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.15 -20.04 56.06 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.257 -0.902 . . . . 0.0 111.421 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -143.63 158.08 43.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.864 -1.147 . . . . 0.0 109.625 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.17 133.17 55.56 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 30' ' ' SER . 94.5 mttt -95.96 153.68 17.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -49.77 -22.61 1.47 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.3 t -74.49 -52.05 13.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.18 -36.15 82.69 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.99 -42.74 94.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.805 -0.56 . . . . 0.0 110.059 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.38 -40.05 89.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.089 -1.007 . . . . 0.0 110.215 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -66.72 -37.32 84.45 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.109 -0.995 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.66 -50.0 72.91 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.838 -1.164 . . . . 0.0 109.308 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.02 -45.57 48.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.582 -0.699 . . . . 0.0 111.661 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.95 -39.04 79.74 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.968 -1.083 . . . . 0.0 111.875 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.17 -35.11 10.49 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 113.311 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.7 tp10 -85.6 -11.99 52.61 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.186 -1.571 . . . . 0.0 110.448 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 39' ' ' GLU . 8.1 mt -137.43 47.73 2.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.211 -0.93 . . . . 0.0 108.673 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -65.28 -40.2 93.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 110.503 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.28 -31.29 6.02 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.288 -0.882 . . . . 0.0 110.072 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.61 -38.99 89.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.6 159.99 34.66 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -55.27 113.28 1.33 Allowed 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.401 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 149.21 45.36 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.959 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.469 HG21 HG23 ' A' ' 53' ' ' VAL . 5.7 mm -88.9 120.16 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -7.08 30.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.503 -0.748 . . . . 0.0 108.992 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -139.91 138.71 35.86 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.893 . . . . 0.0 110.167 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -66.12 -22.35 66.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.7 pt-20 -60.05 -39.54 86.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.348 -0.845 . . . . 0.0 109.814 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.408 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 72.3 t -60.02 -39.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.231 -0.918 . . . . 0.0 108.624 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 47' ' ' ILE . 45.2 t -64.18 -40.01 87.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.066 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.74 -39.95 93.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.364 -0.835 . . . . 0.0 109.83 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.23 -39.96 89.92 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.32 -32.59 57.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.079 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.43 -37.52 70.32 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -79.17 -45.37 20.07 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.165 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.36 -14.8 37.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 0.0 110.729 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.87 61.87 4.66 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -59.77 -39.54 85.19 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.719 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 55.6 p-10 -81.08 -7.01 59.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.139 -0.976 . . . . 0.0 109.407 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 35.66 90.72 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.002 -1.094 . . . . 0.0 110.778 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.4 p-10 -105.91 1.0 26.35 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.002 -1.293 . . . . 0.0 109.751 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.01 5.09 89.72 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.577 -1.809 . . . . 0.0 108.577 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.6 mt-10 -136.73 136.07 38.66 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.1 126.3 44.82 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.896 -1.128 . . . . 0.0 108.518 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.0 159.93 32.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.562 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' B' ' 82' ' ' THR . 6.5 t80 -47.49 -39.98 17.32 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 109.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.93 -38.99 87.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.994 -1.066 . . . . 0.0 109.795 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.17 -40.02 90.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.937 -1.102 . . . . 0.0 110.17 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.708 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.97 -37.48 79.73 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.247 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.14 76.04 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.323 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.03 -40.17 88.42 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.994 -1.066 . . . . 0.0 110.416 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.446 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -59.95 -37.65 73.16 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.762 -0.586 . . . . 0.0 110.135 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.0 m -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.491 -0.883 . . . . 0.0 108.996 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.433 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 89.6 mtp -61.76 -50.03 74.03 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.612 0.72 . . . . 0.0 112.046 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.07 -33.65 59.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 O-C-N 120.628 -1.295 . . . . 0.0 110.128 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -60.45 -39.99 89.52 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.266 -0.896 . . . . 0.0 109.109 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.495 HG23 ' CE2' ' B' ' 70' ' ' PHE . 5.4 m -54.3 -39.04 66.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.44 85.88 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.71 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 m -56.41 -33.9 66.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -60.04 -38.71 83.56 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.99 -37.81 80.76 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -82.97 -39.65 21.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.894 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.17 73.91 4.64 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -82.15 99.35 9.18 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -81.91 97.82 8.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 109.287 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.59 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 . 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.508 ' C ' ' H ' ' B' ' 3' ' ' LEU . 3.7 m 59.25 13.64 3.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.268 -0.895 . . . . 0.0 109.667 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.5 22.62 0.13 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' B' ' 1' ' ' SER . 45.0 tp -70.98 -32.31 69.11 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.057 -1.027 . . . . 0.0 110.844 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 1' ' ' SER . 1.0 OUTLIER -63.59 -39.73 95.14 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.864 -1.148 . . . . 0.0 110.986 -178.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.438 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 6.0 ptpt -71.91 -36.26 69.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.801 -1.187 . . . . 0.0 109.544 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.11 87.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.364 -0.835 . . . . 0.0 110.845 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.1 mtt -62.8 -40.18 96.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.984 -1.073 . . . . 0.0 109.175 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -39.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.16 86.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.898 -0.501 . . . . 0.0 111.795 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -40.02 87.56 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -40.07 79.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 121.939 -0.476 . . . . 0.0 111.132 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 12' ' ' ASP . 60.8 t0 -59.91 -46.45 89.33 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.755 -1.215 . . . . 0.0 111.666 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.67 -39.9 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 120.936 -1.102 . . . . 0.0 109.785 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.99 -38.31 75.86 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.012 -1.055 . . . . 0.0 109.117 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -70.05 -23.78 63.15 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 110.443 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -60.03 -43.43 95.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.587 -1.321 . . . . 0.0 110.191 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -93.9 -36.84 12.01 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.806 -1.184 . . . . 0.0 111.883 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 t -59.99 -46.59 88.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.917 -1.114 . . . . 0.0 110.114 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 -5.32 90.17 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -48.96 79.53 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.872 -1.369 . . . . 0.0 109.028 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -88.71 -73.95 0.48 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.72 -7.91 0.03 OUTLIER Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.9 m-20 -83.13 72.07 10.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.147 -1.208 . . . . 0.0 109.736 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -69.9 -39.81 76.0 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.202 -0.936 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -77.43 -20.24 54.82 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.21 -0.931 . . . . 0.0 111.32 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.7 pttp -143.31 158.2 43.83 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.84 -1.162 . . . . 0.0 109.731 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -120.35 133.03 55.52 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 30' ' ' SER . 95.0 mttt -95.75 153.88 17.51 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.772 -1.205 . . . . 0.0 110.076 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -49.96 -22.73 1.66 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.435 ' N ' ' C ' ' B' ' 28' ' ' LYS . 41.0 t -74.27 -52.38 12.49 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.89 -36.38 83.12 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.01 -42.46 94.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.792 -0.568 . . . . 0.0 110.045 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.56 -39.97 89.89 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.027 . . . . 0.0 110.125 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.67 -37.44 84.77 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.171 -0.956 . . . . 0.0 109.766 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.69 -50.04 72.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.894 -1.129 . . . . 0.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.99 -45.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.478 -0.764 . . . . 0.0 111.475 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -69.09 -38.99 79.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 111.994 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -98.07 -35.56 10.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.237 -0.914 . . . . 0.0 113.287 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.707 ' O ' HD23 ' B' ' 40' ' ' LEU . 3.7 tp10 -85.4 -11.57 54.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.265 -1.522 . . . . 0.0 110.418 -177.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.707 HD23 ' O ' ' B' ' 39' ' ' GLU . 8.2 mt -137.92 47.5 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.189 -0.945 . . . . 0.0 108.641 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -65.43 -40.12 92.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 110.453 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -115.21 -31.31 6.04 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.218 -0.926 . . . . 0.0 110.156 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.62 -39.16 90.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.0 109.705 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -129.31 160.02 34.33 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -55.32 113.26 1.33 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.17 149.06 46.27 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.508 0.671 . . . . 0.0 109.968 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.474 HG21 HG23 ' B' ' 53' ' ' VAL . 5.6 mm -88.79 120.14 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -6.85 30.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.462 -0.774 . . . . 0.0 109.064 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.418 ' OE2' ' OG ' ' Y' ' 101' ' ' SER . 43.9 mt-10 -140.0 138.29 35.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.286 -0.884 . . . . 0.0 110.186 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.6 -22.67 66.69 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.7 pt-20 -59.99 -39.51 85.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.259 -0.901 . . . . 0.0 109.887 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 65.1 t -60.0 -39.96 81.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.17 -0.956 . . . . 0.0 108.646 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.474 HG23 HG21 ' B' ' 47' ' ' ILE . 47.0 t -64.06 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.011 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.77 -40.07 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.881 . . . . 0.0 109.791 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -66.12 -40.01 90.36 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.34 -32.52 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.8 mmm -69.94 -29.89 67.15 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.109 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.57 -37.04 70.02 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.7 m -79.62 -45.48 19.03 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.209 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.19 -14.64 38.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.775 -1.203 . . . . 0.0 110.722 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.6 t0 -80.95 61.89 4.73 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.74 -39.55 85.13 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.777 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -81.16 -7.01 59.48 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.093 -1.005 . . . . 0.0 109.346 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.19 35.58 90.62 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.87 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.4 p-10 -105.79 1.2 26.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.285 . . . . 0.0 109.777 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.09 4.67 89.75 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -136.38 136.15 39.37 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.26 126.28 45.05 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.858 -1.151 . . . . 0.0 108.558 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 160.0 32.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 82' ' ' THR . 6.6 t80 -47.61 -39.94 18.18 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.407 -0.808 . . . . 0.0 109.019 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.81 -39.22 87.65 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 109.832 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.95 -40.06 91.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.187 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.49 -31.4 70.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.116 -0.99 . . . . 0.0 109.799 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -59.94 -37.57 79.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 109.234 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.17 76.11 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.368 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.06 -40.08 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.976 -1.078 . . . . 0.0 110.495 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.411 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -60.05 -37.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 O-C-N 121.733 -0.604 . . . . 0.0 110.071 -178.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.2 m -67.45 -39.94 85.39 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.284 -0.885 . . . . 0.0 108.983 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' CD ' ' Y' ' 111' ' ' LYS . 89.6 mtp -61.83 -50.01 74.0 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.463 0.649 . . . . 0.0 112.074 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.12 -33.41 58.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 120.707 -1.246 . . . . 0.0 110.115 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.94 -40.01 91.67 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.293 -0.879 . . . . 0.0 109.191 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.471 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.5 m -54.3 -38.69 66.2 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.93 87.44 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.698 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.23 -33.89 65.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.0 -38.59 83.06 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.015 -1.053 . . . . 0.0 108.182 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.06 -37.71 80.66 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -83.0 -39.87 20.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.359 -0.838 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -92.98 73.87 4.77 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.96 99.3 9.02 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -81.81 97.88 8.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.472 -0.767 . . . . 0.0 109.301 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 0.0 . -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 74.9 m80 50.9 42.22 27.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.739 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' X' ' 94' ' ' LEU . 3.5 mm? -62.93 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.113 -0.992 . . . . 0.0 109.695 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' X' ' 94' ' ' LEU . 1.4 mppt? 43.1 -163.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.334 -0.854 . . . . 0.0 109.511 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -81.6 147.03 29.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.034 -1.041 . . . . 0.0 109.518 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' X' ' 98' ' ' LYS . 53.2 tptt -60.11 -40.05 88.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.341 -0.849 . . . . 0.0 110.207 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' X' ' 97' ' ' LYS . 29.4 ttmt 39.99 -130.02 0.34 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.613 -0.679 . . . . 0.0 110.059 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.15 162.57 29.82 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -79.88 158.89 26.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -1.096 . . . . 0.0 108.622 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 9.5 p -52.87 -27.26 17.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.142 -0.974 . . . . 0.0 110.125 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.44 HG23 ' H ' ' X' ' 102' ' ' THR . 11.6 p -49.96 -25.53 3.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.986 -1.072 . . . . 0.0 109.254 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 69.9 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.006 -1.059 . . . . 0.0 108.226 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.547 ' CG ' HH11 ' X' ' 104' ' ' ARG . 0.0 OUTLIER -59.94 -40.01 87.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 109.057 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.59 ' NE2' ' SD ' ' X' ' 109' ' ' MET . 65.6 t60 -57.59 -38.64 75.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.982 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 0.0 109.383 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -71.07 -31.09 67.4 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.695 0.76 . . . . 0.0 109.771 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.59 ' SD ' ' NE2' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.87 -24.7 66.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.047 -1.033 . . . . 0.0 111.539 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.0 p90 -41.42 -48.43 3.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.991 -1.068 . . . . 0.0 110.941 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -80.43 -25.55 38.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.868 -1.145 . . . . 0.0 109.837 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 91.9 m -59.97 -39.97 87.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.651 -0.656 . . . . 0.0 . 179.669 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.299 0.571 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 75.1 m80 50.83 42.42 27.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.212 -0.93 . . . . 0.0 109.712 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' Y' ' 94' ' ' LEU . 3.5 mm? -63.18 -80.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.121 -0.987 . . . . 0.0 109.558 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' Y' ' 94' ' ' LEU . 1.2 mppt? 43.17 -163.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.331 -0.855 . . . . 0.0 109.432 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 94.6 p -81.76 146.93 29.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.002 -1.061 . . . . 0.0 109.604 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' Y' ' 98' ' ' LYS . 53.7 tptt -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.304 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' Y' ' 97' ' ' LYS . 30.3 ttmt 40.03 -129.96 0.34 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.612 -0.68 . . . . 0.0 110.097 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.17 162.39 29.67 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -79.69 159.08 26.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.343 -1.092 . . . . 0.0 108.649 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' B' ' 49' ' ' GLU . 11.2 p -53.16 -27.36 20.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.991 . . . . 0.0 110.125 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.429 ' H ' HG23 ' Y' ' 102' ' ' THR . 10.1 p -49.69 -25.43 2.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.984 -1.072 . . . . 0.0 109.215 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 61.8 m -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 108.343 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.588 ' NE2' ' SD ' ' Y' ' 109' ' ' MET . 67.5 t60 -57.57 -38.83 75.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.239 -0.913 . . . . 0.0 108.995 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -59.91 -31.52 69.9 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.02 -40.26 88.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.041 -1.037 . . . . 0.0 109.399 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.85 -31.28 67.94 Favored 'General case' 0 N--CA 1.506 2.336 0 CA-C-O 121.715 0.769 . . . . 0.0 109.799 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.588 ' SD ' ' NE2' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.58 -24.82 65.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.03 -1.044 . . . . 0.0 111.549 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -41.43 -48.35 3.78 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.0 -1.063 . . . . 0.0 110.965 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -80.47 -25.54 38.81 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.972 -1.08 . . . . 0.0 109.752 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.653 -0.654 . . . . 0.0 . 179.689 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.346 0.593 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 3' ' ' LEU . 23.5 p 50.02 19.59 0.49 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.322 -0.862 . . . . 0.0 109.784 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.17 17.2 0.37 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.0 108.861 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 1' ' ' SER . 57.7 tp -59.73 -30.87 69.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CB ' ' CZ ' ' B' ' 43' ' ' PHE . 13.0 pt-20 -63.35 -39.17 93.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.162 -0.961 . . . . 0.0 109.413 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -64.25 -40.01 95.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.576 -0.702 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.06 -40.0 75.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 110.644 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.1 mtt -61.08 -40.05 92.23 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.138 -0.976 . . . . 0.0 109.384 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.83 -38.12 79.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.05 96.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.63 -0.669 . . . . 0.0 111.64 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.796 -1.19 . . . . 0.0 108.305 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.21 -40.09 84.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.87 -0.518 . . . . 0.0 111.094 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.29 -45.52 92.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.686 -1.259 . . . . 0.0 111.474 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -37.97 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.332 -0.855 . . . . 0.0 110.126 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 18' ' ' SER . 46.2 t80 -51.49 -41.56 61.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.737 -0.602 . . . . 0.0 109.641 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -78.82 -22.52 46.08 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.148 -0.97 . . . . 0.0 111.674 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.49 -40.82 75.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.919 -1.113 . . . . 0.0 111.514 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -120.83 -23.06 6.04 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.186 -0.946 . . . . 0.0 111.265 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 88.1 p -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.444 -1.41 . . . . 0.0 108.677 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -0.62 25.92 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' A' ' 20' ' ' ARG . 37.3 ttt-85 -61.12 -42.54 98.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -1.14 . . . . 0.0 109.468 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -113.96 165.08 12.97 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.626 0.727 . . . . 0.0 110.142 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.04 -28.99 13.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.8 m-20 -70.1 53.4 0.13 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.906 -1.349 . . . . 0.0 108.53 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' GLY . 12.7 tmtt? -62.25 -40.06 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.0 110.611 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.515 ' CD2' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -91.92 0.01 57.49 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.893 -1.129 . . . . 0.0 110.816 -178.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' NZ ' ' CD2' ' A' ' 25' ' ' HIS . 63.1 mttp -141.49 157.22 45.42 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.977 -1.077 . . . . 0.0 110.224 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' CG ' ' A' ' 31' ' ' GLU . 2.3 mm? -110.58 120.21 41.67 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' C ' ' N ' ' A' ' 30' ' ' SER . 64.5 tttp -91.79 150.49 21.06 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 20.6 pttp -44.87 -23.37 0.13 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 108.507 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.475 ' N ' ' C ' ' A' ' 28' ' ' LYS . 63.3 m -77.92 -52.35 8.98 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' CG ' HD13 ' A' ' 27' ' ' LEU . 7.1 tp10 -64.46 -36.13 83.18 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.98 -40.34 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.12 -37.99 81.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.326 -0.859 . . . . 0.0 109.155 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.99 -39.52 86.01 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.97 -50.46 73.66 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.472 HG21 ' CD1' ' A' ' 47' ' ' ILE . 94.0 mt -75.12 -48.59 31.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.931 -1.106 . . . . 0.0 112.962 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 38.3 t-20 -80.97 -46.75 14.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.841 -1.162 . . . . 0.0 112.393 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -39.96 32.69 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.336 -0.853 . . . . 0.0 113.201 -176.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 40' ' ' LEU . 34.2 tt0 -89.26 -20.68 23.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.366 -1.459 . . . . 0.0 111.7 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 39' ' ' GLU . 17.1 mt -122.19 57.6 1.06 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.097 -1.002 . . . . 0.0 109.611 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.18 -39.97 88.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -127.75 -23.25 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.245 -0.909 . . . . 0.0 110.425 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' B' ' 4' ' ' GLU . 42.6 t80 -62.04 -39.94 94.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.895 -1.128 . . . . 0.0 109.007 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 tp -126.84 160.0 32.22 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 11.7 pt-20 -55.15 112.36 1.06 Allowed 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.715 -1.194 . . . . 0.0 109.183 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.0 141.83 58.64 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.464 -0.773 . . . . 0.0 109.113 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 77.7 mt -98.03 134.44 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.119 -0.988 . . . . 0.0 108.729 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HE3' HH12 ' X' ' 104' ' ' ARG . 27.3 mmtt -106.47 -25.06 12.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.202 -0.936 . . . . 0.0 110.26 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -112.15 147.96 35.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.904 0.859 . . . . 0.0 111.095 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -72.65 -16.6 61.71 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.3 pt-20 -66.05 -40.02 90.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.372 -0.83 . . . . 0.0 110.561 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.3 t -60.06 -40.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.02 -34.15 68.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.62 -38.71 91.92 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.013 0.911 . . . . 0.0 109.737 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.99 -39.75 75.74 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.36 -27.64 37.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.16 -38.54 88.33 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.1 -39.71 72.56 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.297 -1.502 . . . . 0.0 107.655 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -77.93 -45.69 23.33 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.655 -0.653 . . . . 0.0 111.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 28.2 mt -90.39 -15.81 30.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.839 -1.163 . . . . 0.0 111.223 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.1 t0 -81.07 61.59 4.7 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -59.98 -38.4 82.42 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 64.9 m-20 -75.6 -11.27 59.98 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.14 71.89 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 44.2 p-10 -106.98 8.32 30.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.389 -1.066 . . . . 0.0 110.004 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.5 6.96 82.27 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 40.5 mt-10 -138.63 125.97 21.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.762 -0.846 . . . . 0.0 108.729 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.7 p -94.87 128.36 41.58 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.81 160.04 33.28 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.452 -0.78 . . . . 0.0 110.073 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 4.9 t80 -47.58 -38.69 14.92 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.439 -0.788 . . . . 0.0 109.152 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -66.93 -38.59 86.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.722 -1.236 . . . . 0.0 109.606 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 39.8 mt-10 -66.81 -42.81 85.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 0.0 110.318 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -64.65 -35.85 82.35 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.038 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.421 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.4 mmm -59.95 -38.12 81.55 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.357 0.599 . . . . 0.0 110.424 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.731 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.99 -38.53 82.87 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.959 -1.088 . . . . 0.0 109.574 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.8 t -60.02 -39.8 81.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.249 0.547 . . . . 0.0 109.992 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -61.36 -39.99 92.63 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.427 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 75.9 mtp -68.73 -43.47 75.86 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.63 -0.668 . . . . 0.0 111.862 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.429 ' HA ' ' HZ3' ' X' ' 111' ' ' LYS . 61.4 t -68.52 -34.74 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.899 -1.126 . . . . 0.0 110.755 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.8 m -61.33 -39.95 92.43 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.159 -0.963 . . . . 0.0 108.674 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.18 -39.9 67.04 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.16 84.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.293 -0.879 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -60.02 -37.84 80.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -58.46 -39.35 79.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.963 -1.086 . . . . 0.0 109.178 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -59.97 -39.52 85.94 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.248 -0.907 . . . . 0.0 108.955 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.13 -39.35 14.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.219 -0.926 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.41 68.36 4.14 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.63 99.53 11.35 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.19 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -65.72 -40.0 91.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.542 -0.723 . . . . 0.0 110.124 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.186 -0.946 . . . . 0.0 . -179.388 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 3' ' ' LEU . 25.8 p 49.96 19.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.0 109.738 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.16 16.94 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 0.0 108.731 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' B' ' 1' ' ' SER . 55.9 tp -59.35 -31.01 68.8 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . 13.3 pt-20 -63.43 -39.14 93.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 0.0 109.401 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.38 -39.95 94.87 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.576 -0.702 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 0.0 110.687 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.3 mtt -60.98 -40.0 91.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.083 -1.011 . . . . 0.0 109.404 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.15 -37.9 78.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.0 95.8 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.538 -0.727 . . . . 0.0 111.608 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.795 -1.191 . . . . 0.0 108.309 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.35 -39.98 83.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.825 -0.547 . . . . 0.0 111.031 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.25 -45.61 92.51 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.619 -1.301 . . . . 0.0 111.475 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -38.47 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.418 -0.801 . . . . 0.0 110.132 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.436 ' O ' ' OG ' ' B' ' 18' ' ' SER . 46.8 t80 -51.14 -41.58 60.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.697 -0.627 . . . . 0.0 109.664 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -78.81 -22.34 46.4 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.185 -0.947 . . . . 0.0 111.701 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -56.62 -40.9 76.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.942 -1.098 . . . . 0.0 111.48 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' B' ' 35' ' ' LEU . 33.7 p90 -120.77 -23.11 6.06 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.293 -0.879 . . . . 0.0 111.217 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 87.4 p -60.05 -40.0 87.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.386 -1.446 . . . . 0.0 108.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.43 -0.97 26.37 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' B' ' 20' ' ' ARG . 37.9 ttt-85 -60.96 -42.4 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -114.13 165.2 12.9 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.606 0.717 . . . . 0.0 110.147 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.98 -29.3 14.08 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.8 m-20 -70.0 53.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.937 -1.331 . . . . 0.0 108.588 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 22' ' ' GLY . 12.8 tmtt? -62.5 -40.04 95.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.321 -0.862 . . . . 0.0 110.577 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' NZ ' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -91.95 -0.02 57.48 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.933 -1.105 . . . . 0.0 110.805 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.536 ' NZ ' ' CD2' ' B' ' 25' ' ' HIS . 63.0 mttp -141.43 157.24 45.42 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 110.254 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.491 HD13 ' CG ' ' B' ' 31' ' ' GLU . 2.2 mm? -110.55 120.26 41.85 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' B' ' 30' ' ' SER . 64.3 tttp -91.67 150.51 21.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -44.9 -23.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.957 -1.09 . . . . 0.0 108.491 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' C ' ' B' ' 28' ' ' LYS . 57.8 m -77.83 -52.56 8.69 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.491 ' CG ' HD13 ' B' ' 27' ' ' LEU . 7.0 tp10 -64.51 -35.79 82.09 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.04 -40.54 89.72 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.02 -37.96 81.27 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 109.187 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.01 -39.58 86.26 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' B' ' 17' ' ' TYR . 1.6 tm? -60.0 -50.17 74.78 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 ' CD1' ' B' ' 47' ' ' ILE . 92.1 mt -75.14 -48.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.093 0 O-C-N 121.023 -1.048 . . . . 0.0 112.96 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 38.1 t-20 -80.71 -46.84 14.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.859 -1.151 . . . . 0.0 112.424 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -39.98 32.66 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.361 -0.837 . . . . 0.0 113.219 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.479 ' O ' HD23 ' B' ' 40' ' ' LEU . 33.9 tt0 -89.24 -20.62 23.91 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.379 -1.451 . . . . 0.0 111.682 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 39' ' ' GLU . 16.4 mt -122.4 57.44 1.08 Allowed 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.126 -0.984 . . . . 0.0 109.672 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.6 p -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.215 -0.928 . . . . 0.0 110.249 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -127.58 -22.99 3.52 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.261 -0.9 . . . . 0.0 110.421 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 4' ' ' GLU . 42.2 t80 -62.23 -39.94 94.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 109.081 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -126.86 160.03 32.16 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 11.6 pt-20 -55.18 112.5 1.09 Allowed 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.736 -1.186 . . . . 0.0 109.191 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -65.1 141.67 58.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.536 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 81.2 mt -97.85 134.25 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 108.727 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -106.28 -25.35 11.99 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.222 -0.924 . . . . 0.0 110.225 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -112.15 148.0 34.93 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.926 0.869 . . . . 0.0 111.095 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -72.5 -16.68 61.79 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.2 pt-20 -65.96 -40.04 90.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.36 -0.837 . . . . 0.0 110.53 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 75.2 t -60.13 -39.96 82.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.2 t -66.86 -34.67 71.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.26 -38.67 91.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.997 0.903 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -70.0 -39.77 75.67 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 122.162 0.982 . . . . 0.0 108.355 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.1 -28.09 39.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.6 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.05 -38.51 88.56 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.27 -39.58 72.86 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.346 -1.471 . . . . 0.0 107.589 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -77.84 -45.66 23.7 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.676 -0.64 . . . . 0.0 111.658 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 27.8 mt -90.34 -16.1 29.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.793 -1.192 . . . . 0.0 111.271 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.3 t0 -80.84 61.6 4.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -59.88 -38.43 82.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.54 -11.21 59.98 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.95 31.14 71.46 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.9 p-10 -107.09 8.29 30.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.35 -1.088 . . . . 0.0 110.005 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 75.66 6.7 82.07 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 39.2 mt-10 -138.59 126.1 21.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.437 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.6 p -94.87 128.19 41.45 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -71.62 160.06 33.33 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.445 -0.784 . . . . 0.0 110.053 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.418 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 4.9 t80 -47.55 -38.76 14.84 Favored 'General case' 0 C--O 1.203 -1.366 0 O-C-N 121.407 -0.808 . . . . 0.0 109.135 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.89 -38.66 86.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.797 -1.189 . . . . 0.0 109.653 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 39.8 mt-10 -66.66 -42.74 86.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.925 -1.109 . . . . 0.0 110.281 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -64.49 -36.19 83.39 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.34 -0.85 . . . . 0.0 108.985 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.418 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 77.4 mmm -60.02 -37.92 81.18 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.25 0.547 . . . . 0.0 110.414 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.05 76.65 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.85 -1.157 . . . . 0.0 110.758 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.0 -38.51 82.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.977 -1.077 . . . . 0.0 109.445 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.45 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.7 t -60.0 -39.82 81.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.213 0.53 . . . . 0.0 110.056 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.0 p -61.29 -40.02 92.58 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 109.38 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 75.7 mtp -68.53 -43.75 76.06 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.724 -0.61 . . . . 0.0 111.876 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.442 ' HA ' ' HZ3' ' Y' ' 111' ' ' LYS . 62.3 t -68.35 -35.01 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.829 -1.17 . . . . 0.0 110.771 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -61.04 -40.03 92.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.157 -0.964 . . . . 0.0 108.67 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -54.36 -40.0 67.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.95 83.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 108.856 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.7 m -59.95 -37.74 80.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.474 -0.766 . . . . 0.0 109.952 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -58.49 -39.62 80.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.981 -1.074 . . . . 0.0 109.157 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.01 -39.21 85.03 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 108.956 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -88.18 -39.46 14.49 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.138 -0.977 . . . . 0.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.36 68.14 4.15 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.2 99.42 11.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.327 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -65.88 -40.0 91.21 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.557 -0.714 . . . . 0.0 110.087 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.198 -0.939 . . . . 0.0 . -179.447 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 51.05 42.18 28.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 109.239 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 143.36 56.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.951 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 135.27 55.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 0.0 109.908 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 16.0 m -155.78 160.87 40.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 56.92 72.47 0.51 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.318 -0.864 . . . . 0.0 109.237 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.99 -39.96 87.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.09 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.53 43.77 0.18 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.704 -1.236 . . . . 0.0 110.066 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.98 148.47 26.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.076 -1.249 . . . . 0.0 109.455 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.458 ' O ' ' N ' ' X' ' 103' ' ' SER . 58.2 m -60.01 -38.19 81.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 0.0 109.33 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 87.0 m -41.91 -24.9 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.494 -0.754 . . . . 0.0 110.051 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.458 ' N ' ' O ' ' X' ' 101' ' ' SER . 72.6 m -60.37 -26.95 67.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.226 -0.921 . . . . 0.0 109.051 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.405 HH12 ' HE3' ' A' ' 48' ' ' LYS . 12.4 ptm180 -60.06 -35.97 76.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 0.0 109.813 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.413 ' CG ' HG13 ' A' ' 52' ' ' VAL . 12.1 t-80 -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.826 -1.171 . . . . 0.0 108.626 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.53 -30.62 68.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.278 -0.889 . . . . 0.0 108.946 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -57.16 -40.0 76.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.69 -1.256 . . . . 0.0 107.648 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.676 ' HG ' ' HZ1' ' X' ' 111' ' ' LYS . 5.8 tt -70.02 -40.01 75.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.644 -0.66 . . . . 0.0 109.73 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -43.17 -24.51 0.08 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 110.197 -179.444 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.7 p90 -41.05 -48.09 3.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 110.057 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.676 ' HZ1' ' HG ' ' X' ' 108' ' ' LEU . 9.4 ptpt -75.25 -31.5 60.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.204 -0.935 . . . . 0.0 109.624 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 36.4 m -60.04 -39.85 87.36 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.598 -0.689 . . . . 0.0 . 179.416 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 50.83 42.01 27.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.331 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.72 143.31 57.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -64.83 135.23 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.833 . . . . 0.0 109.937 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -155.68 160.88 40.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.522 -0.736 . . . . 0.0 109.035 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 56.81 72.45 0.51 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.307 -0.871 . . . . 0.0 109.276 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -59.98 -40.04 87.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.207 -0.933 . . . . 0.0 109.042 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 43.86 0.18 Allowed Glycine 0 N--CA 1.491 2.315 0 C-N-CA 119.705 -1.235 . . . . 0.0 110.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -84.08 148.28 26.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -1.218 . . . . 0.0 109.431 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' Y' ' 103' ' ' SER . 55.6 m -60.03 -37.95 81.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 109.439 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -42.12 -24.91 0.06 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.501 -0.749 . . . . 0.0 110.01 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' Y' ' 101' ' ' SER . 71.3 m -60.24 -26.96 66.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 0.0 109.042 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -60.02 -36.19 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.353 -0.842 . . . . 0.0 109.786 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.92 -39.85 86.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.842 -1.161 . . . . 0.0 108.679 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -59.43 -30.83 68.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.908 . . . . 0.0 109.029 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -57.17 -39.97 76.38 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.672 ' HG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.9 tt -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.65 -0.656 . . . . 0.0 109.705 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -43.15 -24.62 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.967 -1.083 . . . . 0.0 110.268 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -41.03 -47.92 3.16 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.329 -0.857 . . . . 0.0 110.076 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.672 ' HZ1' ' HG ' ' Y' ' 108' ' ' LEU . 9.5 ptpt -75.35 -31.62 60.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 0.0 109.542 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -60.04 -39.35 85.61 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 . 179.249 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' N ' ' A' ' 2' ' ' GLU . 68.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 3' ' ' LEU . 52.8 p 50.74 10.38 0.06 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.178 -0.951 . . . . 0.0 109.7 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' N ' ' C ' ' A' ' 0' ' ' MET . 17.5 pt-20 -75.73 18.63 0.24 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.9 tt -60.04 -37.65 80.43 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.33 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.96 -37.92 80.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.134 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.01 -40.82 96.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.414 -0.804 . . . . 0.0 109.536 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.98 86.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 110.643 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 mtt -62.56 -39.99 95.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.65 -36.84 77.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-O 121.359 0.599 . . . . 0.0 109.413 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.02 87.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 111.556 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD23 ' CE ' ' A' ' 74' ' ' MET . 6.7 mp -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.718 -1.239 . . . . 0.0 108.605 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -69.04 -38.82 78.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 110.62 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -61.44 -49.54 76.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.769 -1.207 . . . . 0.0 111.434 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.88 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.86 -38.73 82.95 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.003 -1.061 . . . . 0.0 109.379 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.487 ' CD2' ' CE1' ' B' ' 90' ' ' HIS . 39.4 t-80 -66.04 -30.21 70.69 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.296 -0.878 . . . . 0.0 110.084 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -59.96 -41.12 91.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 110.344 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -94.75 -21.54 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.871 -1.143 . . . . 0.0 111.656 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.2 p -57.13 -40.04 76.34 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.635 -1.291 . . . . 0.0 107.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.73 39.47 2.95 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.59 -64.68 0.94 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.733 -1.451 . . . . 0.0 109.901 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -114.66 -19.54 11.05 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.42 -0.8 . . . . 0.0 109.49 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.46 -14.62 1.83 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' LYS . 4.6 m-20 -76.01 58.36 1.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.824 -1.397 . . . . 0.0 108.541 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.35 -39.95 88.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.42 -0.8 . . . . 0.0 109.989 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -79.73 -20.87 45.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.345 -0.847 . . . . 0.0 111.323 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 mtmm -140.39 151.44 44.94 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.8 -1.187 . . . . 0.0 110.608 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 27' ' ' LEU . 4.5 mm? -106.95 134.58 49.89 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.333 -0.854 . . . . 0.0 108.702 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.8 tttp -101.46 145.81 28.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 108.743 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.4 pttp -41.8 -23.95 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.825 0.821 . . . . 0.0 109.337 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.5 m -76.7 -54.66 6.35 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 99.0 mt-10 -61.36 -35.99 78.96 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.99 -41.43 92.04 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.685 -0.635 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.711 ' NZ ' HD22 ' A' ' 37' ' ' ASN . 63.2 tttm -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.09 -1.006 . . . . 0.0 109.917 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.6 mp0 -65.95 -36.93 84.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 108.966 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.2 tm? -60.73 -46.81 89.0 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.638 -1.289 . . . . 0.0 108.637 178.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.63 -51.46 28.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.85 -0.532 . . . . 0.0 111.972 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.711 HD22 ' NZ ' ' A' ' 33' ' ' LYS . 98.4 m-20 -73.53 -48.66 31.38 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.286 -0.966 . . . . 0.0 112.451 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -44.68 38.07 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 40' ' ' LEU . 6.5 tp10 -83.23 -15.41 50.47 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.338 -1.476 . . . . 0.0 111.033 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.3 mt -138.53 49.93 1.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.902 -1.124 . . . . 0.0 110.075 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.9 p -63.07 -44.96 94.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.051 -1.031 . . . . 0.0 109.425 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.11 -38.66 8.85 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.307 -0.871 . . . . 0.0 110.055 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.331 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.593 HD13 ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -125.23 134.97 52.13 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 178.248 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.593 ' N ' HD13 ' A' ' 44' ' ' LEU . 16.6 pt-20 -52.0 117.0 2.46 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.45 -1.406 . . . . 0.0 109.168 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -51.27 150.58 3.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 110.301 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.619 HD13 ' NH2' ' X' ' 104' ' ' ARG . 6.0 mm -84.28 141.25 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -107.63 -17.6 14.05 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.287 -0.883 . . . . 0.0 110.736 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 52.6 tp10 -139.98 141.82 36.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.92 -1.113 . . . . 0.0 109.904 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.98 -27.96 67.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.713 -0.617 . . . . 0.0 110.997 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 19.2 pt-20 -59.99 -38.71 83.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.008 -1.057 . . . . 0.0 110.502 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.022 -1.048 . . . . 0.0 108.783 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 HG21 ' A' ' 47' ' ' ILE . 54.9 t -65.32 -38.58 82.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.497 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 64.7 t0 -65.3 -35.94 82.54 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 110.17 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.82 -32.72 59.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.83 67.09 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.528 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.06 -40.03 83.89 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 119.947 -1.721 . . . . 0.0 106.647 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -74.51 -42.87 58.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.785 -0.572 . . . . 0.0 111.305 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 39.0 mt -89.53 -16.79 29.93 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.721 -1.237 . . . . 0.0 110.54 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' MET . 58.1 t0 -81.42 62.3 5.26 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.89 -39.8 86.57 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.675 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -80.99 -7.29 59.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.238 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.48 85.09 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.0 p-10 -105.71 0.42 26.24 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.088 -1.242 . . . . 0.0 110.045 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.573 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.8 5.29 83.72 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.507 -1.837 . . . . 0.0 108.507 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 63.7 mt-10 -137.86 134.52 35.18 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.93 128.89 48.14 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -79.43 172.76 13.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 110.31 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' B' ' 82' ' ' THR . 13.2 t80 -49.02 -40.04 29.34 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 121.317 -0.865 . . . . 0.0 109.147 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.46 -53.04 48.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.907 -1.121 . . . . 0.0 110.47 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 88.8 mt-10 -61.14 -40.36 93.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.016 . . . . 0.0 111.005 -178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.86 -36.96 86.04 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.962 -1.086 . . . . 0.0 109.517 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.471 ' CE ' HD23 ' A' ' 10' ' ' LEU . 64.9 mmm -59.91 -38.79 83.33 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.667 -0.645 . . . . 0.0 110.828 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.01 -30.08 69.24 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.751 -1.218 . . . . 0.0 110.735 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 108.975 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.484 HG23 ' H ' ' A' ' 77' ' ' VAL . 2.0 t -60.25 -39.86 81.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 t -66.73 -39.91 88.14 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.554 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.8 mtp -70.04 -41.19 74.54 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.41 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.6 -33.15 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.497 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -40.05 87.95 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.592 HG23 ' CE2' ' B' ' 70' ' ' PHE . 6.5 m -56.87 -37.82 71.87 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.79 83.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.1 m -59.99 -32.87 71.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.553 -0.717 . . . . 0.0 109.484 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.28 -45.95 86.97 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.877 -1.14 . . . . 0.0 108.719 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.084 -1.01 . . . . 0.0 108.775 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.1 -52.49 14.07 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 110.117 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 8.2 t80 -93.91 68.3 3.83 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -82.28 97.78 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.361 -0.837 . . . . 0.0 109.286 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.512 ' ND1' ' N ' ' A' ' 91' ' ' GLU . 21.8 p80 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 109.429 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' ND1' ' A' ' 90' ' ' HIS . 81.3 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.738 -0.601 . . . . 0.0 . -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.473 ' O ' ' N ' ' B' ' 2' ' ' GLU . 68.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 3' ' ' LEU . 54.4 p 50.97 10.28 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.169 -0.957 . . . . 0.0 109.71 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 0' ' ' MET . 17.6 pt-20 -75.69 18.51 0.24 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.08 -37.26 79.41 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.46 -0.775 . . . . 0.0 109.4 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -60.09 -38.07 81.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.116 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -61.8 -40.68 96.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.05 85.9 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.325 -0.859 . . . . 0.0 110.522 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.8 mtt -62.51 -40.02 95.39 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 109.808 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -36.8 77.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.372 0.606 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.99 87.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.729 . . . . 0.0 111.423 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.465 HD23 ' CE ' ' B' ' 74' ' ' MET . 6.5 mp -60.0 -39.99 87.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.707 -1.246 . . . . 0.0 108.658 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.16 -38.8 78.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 O-C-N 121.667 -0.646 . . . . 0.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -61.57 -49.1 78.0 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.795 -1.191 . . . . 0.0 111.362 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -39.77 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.255 -0.903 . . . . 0.0 110.209 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.92 -38.63 82.88 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.022 -1.048 . . . . 0.0 109.363 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.437 ' CD2' ' CE1' ' A' ' 90' ' ' HIS . 41.0 t-80 -66.01 -30.23 70.74 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -59.99 -41.02 91.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.306 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -94.92 -21.42 18.65 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.909 -1.119 . . . . 0.0 111.638 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -57.08 -40.04 76.17 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.664 -1.273 . . . . 0.0 107.815 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.92 39.63 2.97 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -64.46 0.99 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.682 -1.481 . . . . 0.0 109.921 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -114.43 -20.17 10.9 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.457 -0.777 . . . . 0.0 109.573 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.73 -14.43 1.77 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 26' ' ' LYS . 4.5 m-20 -76.07 58.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.889 -1.359 . . . . 0.0 108.53 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -60.22 -39.99 88.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -79.63 -20.84 45.8 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.448 -0.783 . . . . 0.0 111.325 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . 33.7 mtmm -140.89 151.56 44.37 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.815 -1.178 . . . . 0.0 110.665 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.73 134.69 49.5 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 108.773 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 30' ' ' SER . 56.9 tttp -101.34 145.93 28.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 108.837 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 18.1 pttp -42.0 -23.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.308 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.499 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.6 m -77.21 -54.73 6.13 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 98.2 mt-10 -60.98 -36.12 78.6 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.03 -41.43 92.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.677 -0.639 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.698 ' NZ ' HD22 ' B' ' 37' ' ' ASN . 62.8 tttm -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.019 -1.051 . . . . 0.0 109.955 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.6 mp0 -65.94 -36.77 84.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.149 -0.969 . . . . 0.0 109.042 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.705 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -60.8 -47.05 88.11 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.652 -1.28 . . . . 0.0 108.606 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.24 -51.51 29.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.758 -0.589 . . . . 0.0 112.011 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.698 HD22 ' NZ ' ' B' ' 33' ' ' LYS . 98.5 m-20 -73.36 -48.98 29.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.139 -0.976 . . . . 0.0 112.436 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -44.98 39.31 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -176.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.858 ' O ' HD23 ' B' ' 40' ' ' LEU . 6.1 tp10 -83.27 -14.83 52.31 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.324 -1.485 . . . . 0.0 111.012 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.858 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.6 mt -138.88 49.53 1.87 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.951 -1.093 . . . . 0.0 110.059 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -63.02 -44.95 94.55 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.119 -0.988 . . . . 0.0 109.425 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.05 -38.49 8.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.402 -0.812 . . . . 0.0 110.117 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.278 -0.889 . . . . 0.0 109.288 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.574 HD13 ' N ' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -125.77 135.18 51.74 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.574 ' N ' HD13 ' B' ' 44' ' ' LEU . 16.7 pt-20 -51.87 116.9 2.38 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.208 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.06 150.39 3.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.555 -0.716 . . . . 0.0 110.184 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.67 HD13 ' NH2' ' Y' ' 104' ' ' ARG . 5.1 mm -84.07 141.32 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -107.47 -17.82 14.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.338 -0.851 . . . . 0.0 110.767 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 52.5 tp10 -139.94 141.74 36.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.961 -1.087 . . . . 0.0 109.929 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -60.07 -27.65 67.14 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.722 -0.611 . . . . 0.0 111.029 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.453 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 19.0 pt-20 -60.08 -38.89 84.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.012 -1.055 . . . . 0.0 110.344 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.05 -39.93 81.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.04 -1.037 . . . . 0.0 108.75 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.431 HG23 HG21 ' B' ' 47' ' ' ILE . 56.8 t -65.26 -38.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.664 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 54' ' ' ASP . 63.9 t0 -65.25 -36.32 83.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.374 -0.829 . . . . 0.0 110.2 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.24 -40.04 86.25 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 t -64.95 -32.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.632 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.6 mmm -69.92 -29.95 67.24 Favored 'General case' 0 C--O 1.197 -1.679 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.503 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.92 -39.97 83.13 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.971 -1.706 . . . . 0.0 106.721 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -74.6 -42.98 57.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.743 -0.598 . . . . 0.0 111.219 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 39.1 mt -89.52 -16.61 30.34 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.78 -1.2 . . . . 0.0 110.487 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.632 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.3 t0 -81.53 62.31 5.35 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.0 -39.72 86.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.625 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -80.97 -7.35 59.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.252 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.67 37.33 84.55 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.322 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 44.9 p-10 -105.62 0.57 26.56 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.138 -1.213 . . . . 0.0 110.124 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.55 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.71 5.07 83.0 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.5 mt-10 -137.45 134.49 35.88 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -102.23 128.59 48.68 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -79.58 172.45 13.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.147 -0.971 . . . . 0.0 110.345 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' A' ' 82' ' ' THR . 13.4 t80 -48.63 -39.97 26.03 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.448 -0.783 . . . . 0.0 109.226 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.92 -52.74 47.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.834 -1.166 . . . . 0.0 110.439 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.0 mt-10 -61.36 -40.19 93.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.981 -1.074 . . . . 0.0 111.003 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.9 -36.89 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.001 -1.062 . . . . 0.0 109.496 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.465 ' CE ' HD23 ' B' ' 10' ' ' LEU . 65.3 mmm -60.02 -38.68 83.38 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.703 -0.623 . . . . 0.0 110.818 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.1 69.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.758 -1.213 . . . . 0.0 110.77 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.042 -1.036 . . . . 0.0 109.002 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.9 t -60.25 -39.64 81.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -66.88 -40.01 87.66 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.579 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 37.6 mtp -69.95 -40.92 75.15 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 111.428 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.8 -33.33 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.922 -1.111 . . . . 0.0 109.594 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.01 87.56 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.592 HG23 ' CE2' ' A' ' 70' ' ' PHE . 5.9 m -56.77 -37.6 71.31 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.12 84.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.9 m -59.99 -32.68 71.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.537 -0.727 . . . . 0.0 109.43 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -58.33 -46.09 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.886 -1.134 . . . . 0.0 108.756 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -61.26 -40.03 92.55 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.02 . . . . 0.0 108.666 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -73.05 -52.7 13.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.598 -0.689 . . . . 0.0 110.098 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 7.7 t80 -93.84 68.35 3.87 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -82.2 97.76 8.4 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.421 -0.8 . . . . 0.0 109.33 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.516 ' ND1' ' N ' ' B' ' 91' ' ' GLU . 21.8 p80 -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.259 -0.9 . . . . 0.0 109.417 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.516 ' N ' ' ND1' ' B' ' 90' ' ' HIS . 85.1 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.748 -0.595 . . . . 0.0 . -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -70.02 -20.91 63.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.365 -0.834 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.522 ' N ' HD12 ' X' ' 94' ' ' LEU . 10.4 mp -76.02 156.85 33.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.434 -0.791 . . . . 0.0 109.442 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.7 165.43 28.09 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -59.99 135.45 57.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.6 -59.2 3.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.85 . . . . 0.0 109.211 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -178.38 -22.17 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.87 174.19 39.52 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -135.93 140.74 44.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.196 -1.179 . . . . 0.0 110.127 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 53.8 m -70.04 -24.9 63.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.468 -0.77 . . . . 0.0 109.249 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.554 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 26.4 m -49.17 -27.47 3.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 108.906 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 59.2 m -59.28 -32.75 70.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.435 -0.791 . . . . 0.0 109.403 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.619 ' NH2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.14 -26.99 7.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.015 -1.053 . . . . 0.0 109.381 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 3.5 p-80 -60.0 -39.98 87.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.71 -1.244 . . . . 0.0 108.067 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.615 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 6.3 tmtm? -59.99 -31.52 69.99 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 109.121 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.05 -24.79 47.62 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.252 -0.905 . . . . 0.0 109.554 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.476 ' O ' ' N ' ' X' ' 112' ' ' THR . 29.9 mmt -59.55 -24.52 63.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.684 -1.26 . . . . 0.0 109.496 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 3.1 p90 -43.78 -43.99 6.46 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.953 -1.092 . . . . 0.0 109.259 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.8 pttt -68.49 -33.89 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.442 -0.787 . . . . 0.0 108.956 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.476 ' N ' ' O ' ' X' ' 109' ' ' MET . 86.1 m -60.64 -40.03 90.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.584 -0.698 . . . . 0.0 109.357 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 . 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -69.99 -21.1 63.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 109.152 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.524 ' N ' HD12 ' Y' ' 94' ' ' LEU . 10.3 mp -75.96 156.95 33.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.5 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.74 165.36 28.29 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -59.99 135.68 57.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.208 -0.932 . . . . 0.0 109.805 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.75 -58.99 3.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 0.0 109.088 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -178.69 -22.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.83 174.19 39.58 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.02 140.86 44.19 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.17 -1.194 . . . . 0.0 109.981 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 56.6 m -70.0 -24.84 63.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.517 -0.739 . . . . 0.0 109.321 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 29.3 m -49.11 -27.75 3.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.795 . . . . 0.0 108.904 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -58.95 -32.86 69.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.564 -0.71 . . . . 0.0 109.502 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.67 ' NH2' HD13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -51.33 -26.83 8.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.041 -1.037 . . . . 0.0 109.395 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 3.7 p-80 -59.95 -39.98 87.41 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 118.736 -1.186 . . . . 0.0 107.955 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.622 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 6.4 tmtm? -59.99 -31.6 70.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.084 -1.01 . . . . 0.0 109.212 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.04 -24.77 47.66 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.468 ' O ' ' N ' ' Y' ' 112' ' ' THR . 29.3 mmt -59.52 -24.44 63.66 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.769 -1.207 . . . . 0.0 109.504 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -44.0 -44.08 7.07 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.871 -1.143 . . . . 0.0 109.246 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.53 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.7 pttt -68.24 -34.45 76.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.384 -0.822 . . . . 0.0 108.877 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.468 ' N ' ' O ' ' Y' ' 109' ' ' MET . 87.5 m -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.52 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 0.0 . 179.86 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t 59.53 25.02 13.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.801 . . . . 0.0 109.419 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.44 8.94 2.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.032 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 3' ' ' LEU . 3.4 tm? -45.82 -24.68 0.41 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.586 -0.696 . . . . 0.0 109.319 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.32 -39.45 89.28 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.037 -1.04 . . . . 0.0 110.668 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -80.36 -29.95 37.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.985 -1.072 . . . . 0.0 109.583 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.39 -42.06 72.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.319 -0.863 . . . . 0.0 111.832 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.505 ' SD ' HD11 ' A' ' 3' ' ' LEU . 39.5 mtt -72.45 -36.14 68.46 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.719 -1.238 . . . . 0.0 109.767 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 -39.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.741 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.33 69.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.282 -0.886 . . . . 0.0 111.023 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.95 -40.1 87.84 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.89 -39.71 82.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.484 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.12 -41.41 92.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.822 -1.174 . . . . 0.0 111.428 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -40.32 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.165 -0.96 . . . . 0.0 110.346 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.25 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.36 -36.21 79.59 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.525 -0.735 . . . . 0.0 111.086 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -60.03 -40.4 89.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.698 -1.252 . . . . 0.0 110.834 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 35' ' ' LEU . 47.8 m-85 -86.12 -33.49 20.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.759 -1.213 . . . . 0.0 112.073 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 p -60.19 -40.02 88.56 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.747 -1.22 . . . . 0.0 109.426 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.9 5.69 78.04 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.98 -47.42 85.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.976 -1.308 . . . . 0.0 110.544 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -99.68 -53.7 3.12 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.075 -1.015 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.37 -22.93 0.14 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.56 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.5 m-20 -82.49 78.35 9.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.782 -1.422 . . . . 0.0 109.156 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.91 -39.91 94.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -79.95 -10.78 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.891 . . . . 0.0 111.12 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.4 ttmm -141.54 139.55 33.24 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.864 -1.147 . . . . 0.0 110.206 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -108.46 128.74 55.06 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 30' ' ' SER . 49.6 mtmt -97.58 157.54 15.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.762 -1.211 . . . . 0.0 109.683 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -50.02 -23.36 2.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 70.3 m -75.69 -49.52 18.1 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.46 0.648 . . . . 0.0 109.304 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -66.41 -33.07 74.89 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.88 -41.47 96.08 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.76 -34.59 75.84 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.994 -1.066 . . . . 0.0 109.33 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 8.6 tt -65.25 -49.29 70.19 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.831 -1.168 . . . . 0.0 109.188 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 40' ' ' LEU . 78.4 mt -70.47 -47.39 65.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.396 -0.815 . . . . 0.0 111.169 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -68.98 -38.48 79.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.765 -1.209 . . . . 0.0 111.766 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.588 ' N ' HD22 ' A' ' 38' ' ' ASN . 0.6 OUTLIER -98.83 -32.59 11.27 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.209 -0.932 . . . . 0.0 113.291 -176.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.0 tm-20 -79.62 -14.24 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.104 -1.623 . . . . 0.0 108.547 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 29.8 mt -114.1 62.11 0.66 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 88.3 p -60.05 -39.83 87.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.445 -0.784 . . . . 0.0 110.128 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 42' ' ' HIS . 23.4 t-160 -137.5 3.56 2.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.145 -0.972 . . . . 0.0 110.294 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -49.51 75.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 109.034 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.68 177.19 11.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.068 -1.02 . . . . 0.0 110.857 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' GLU . 54.9 tp10 -53.99 99.95 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.705 0.764 . . . . 0.0 109.5 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' A' ' 41' ' ' SER . 53.5 mp0 -50.42 179.53 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 122.028 0.918 . . . . 0.0 110.114 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -102.65 133.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -106.99 -28.73 9.86 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.26 -0.9 . . . . 0.0 108.891 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -118.58 143.15 46.98 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.15 -15.81 63.01 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.04 -39.72 86.91 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.944 -1.097 . . . . 0.0 109.143 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.3 t -59.92 -38.09 74.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.382 -0.824 . . . . 0.0 108.864 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.79 -34.54 65.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.727 -0.608 . . . . 0.0 110.494 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 47.2 t0 -70.09 -34.64 73.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.015 -1.053 . . . . 0.0 109.634 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -68.74 -39.97 80.06 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.33 -34.74 72.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.587 ' O ' ' N ' ' A' ' 61' ' ' ASP . 73.0 mmm -70.01 -28.93 65.9 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.615 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.67 -37.05 72.76 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.7 m -78.31 -47.12 18.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.052 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -88.83 -10.86 46.54 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.82 -1.175 . . . . 0.0 110.821 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 57' ' ' MET . 63.0 t0 -80.8 63.32 5.16 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.23 -40.0 80.54 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 p-10 -80.72 -6.6 58.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.137 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 36.53 91.23 Favored Glycine 0 N--CA 1.496 2.646 0 C-N-CA 120.097 -1.049 . . . . 0.0 110.575 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 45.8 p-10 -106.45 -1.06 23.58 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.254 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.545 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 79.44 3.93 88.92 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.6 mt-10 -138.03 140.02 39.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.28 130.65 56.19 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.986 -1.071 . . . . 0.0 108.343 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -82.91 165.96 19.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 0.0 110.433 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE2' HG23 ' B' ' 82' ' ' THR . 23.6 t80 -46.23 -29.16 1.49 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.486 -0.759 . . . . 0.0 109.404 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -71.66 -48.85 44.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.224 -0.923 . . . . 0.0 109.142 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.66 -39.92 80.41 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.55 -27.41 65.12 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.327 -0.858 . . . . 0.0 108.958 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.453 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.03 -39.81 87.19 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.06 71.71 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 120.976 -1.077 . . . . 0.0 110.054 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.8 -40.08 91.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.34 -36.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.484 -0.76 . . . . 0.0 110.01 -178.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 74' ' ' MET . 3.5 m -68.94 -40.04 79.22 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.57 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.415 ' O ' ' CD ' ' X' ' 111' ' ' LYS . 90.1 mtp -61.67 -50.0 74.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 110.713 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -67.95 -31.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 120.63 -1.294 . . . . 0.0 109.968 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -60.0 -40.04 87.84 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.4 -0.812 . . . . 0.0 108.992 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 HG23 ' CE2' ' B' ' 70' ' ' PHE . 25.2 m -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.95 89.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 108.693 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.45 ' SG ' ' SD ' ' B' ' 7' ' ' MET . 5.6 m -60.09 -32.74 71.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.83 -0.544 . . . . 0.0 109.807 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.412 ' NE2' ' OE2' ' A' ' 89' ' ' GLU . 12.9 t-160 -59.9 -39.87 86.85 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -39.92 87.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -77.23 -22.37 52.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 110.096 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 43.0 t80 -85.45 -10.0 56.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.953 -1.092 . . . . 0.0 109.404 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' OE2' ' NE2' ' A' ' 85' ' ' HIS . 62.8 mm-40 -87.22 95.87 10.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 108.703 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -60.15 -39.88 87.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.912 . . . . 0.0 . 179.199 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 t 59.59 24.69 13.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.412 -0.805 . . . . 0.0 109.628 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.2 9.1 2.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.023 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.773 ' O ' HD13 ' B' ' 3' ' ' LEU . 3.4 tm? -45.97 -24.89 0.47 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.601 -0.687 . . . . 0.0 109.289 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.14 -39.49 89.9 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.066 -1.021 . . . . 0.0 110.711 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.28 -30.2 38.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.949 -1.094 . . . . 0.0 109.632 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.05 73.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.0 111.867 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' HD11 ' B' ' 3' ' ' LEU . 39.6 mtt -72.6 -35.72 67.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.704 -1.248 . . . . 0.0 109.702 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.58 -40.08 86.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.78 69.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.301 -0.874 . . . . 0.0 110.952 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.56 -40.46 87.36 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -67.49 -39.9 83.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.15 -41.38 92.64 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.841 -1.162 . . . . 0.0 111.41 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -40.23 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.983 . . . . 0.0 110.445 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.97 -40.01 87.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.304 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.59 -35.91 79.19 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.412 -0.805 . . . . 0.0 111.166 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -60.02 -40.5 89.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.702 -1.249 . . . . 0.0 110.784 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' B' ' 35' ' ' LEU . 48.5 m-85 -86.08 -33.52 20.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.843 -1.161 . . . . 0.0 112.048 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -60.0 -40.1 88.05 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.755 -1.216 . . . . 0.0 109.536 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 5.54 78.52 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.93 -47.61 85.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.866 -1.373 . . . . 0.0 110.442 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -99.47 -53.91 3.08 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.53 -22.5 0.13 Allowed Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.5 78.16 9.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.837 -1.39 . . . . 0.0 109.238 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.94 -39.95 94.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.481 -0.762 . . . . 0.0 109.982 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -79.86 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.903 . . . . 0.0 111.155 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -141.75 139.47 32.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.795 -1.191 . . . . 0.0 110.088 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -108.54 128.76 55.1 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' B' ' 30' ' ' SER . 50.4 mtmt -97.46 157.44 16.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.707 -1.246 . . . . 0.0 109.749 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -50.0 -23.5 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.404 ' N ' ' C ' ' B' ' 28' ' ' LYS . 56.4 m -75.97 -49.05 18.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -66.34 -33.38 75.61 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.73 -41.41 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.816 -0.553 . . . . 0.0 109.74 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -60.13 -39.8 87.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.203 -0.936 . . . . 0.0 110.316 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.06 -34.24 74.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.977 -1.077 . . . . 0.0 109.316 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' B' ' 39' ' ' GLU . 8.7 tt -65.44 -49.44 69.16 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.739 -1.225 . . . . 0.0 109.1 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.23 -47.65 65.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.436 -0.79 . . . . 0.0 111.211 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.48 -38.9 81.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.799 -1.188 . . . . 0.0 111.78 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.599 ' N ' HD22 ' B' ' 38' ' ' ASN . 0.6 OUTLIER -98.7 -32.69 11.27 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.191 -0.943 . . . . 0.0 113.31 -176.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.0 tm-20 -79.58 -14.07 59.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.108 -1.62 . . . . 0.0 108.577 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.42 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 29.7 mt -114.35 62.0 0.67 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 46' ' ' GLU . 87.9 p -59.95 -39.74 86.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.156 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' B' ' 42' ' ' HIS . 23.6 t-160 -137.72 3.32 2.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.14 -0.975 . . . . 0.0 110.214 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -49.86 74.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.851 -1.155 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.41 177.3 11.52 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.118 -0.989 . . . . 0.0 111.009 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 46' ' ' GLU . 54.9 tp10 -53.93 99.53 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.682 0.753 . . . . 0.0 109.541 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 41' ' ' SER . 54.3 mp0 -50.16 179.47 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.983 0.897 . . . . 0.0 110.253 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.3 mm -102.48 133.68 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' HG3' HH12 ' Y' ' 104' ' ' ARG . 48.2 mmtt -106.97 -28.51 10.01 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.266 -0.896 . . . . 0.0 108.971 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -118.59 142.69 47.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.624 -0.672 . . . . 0.0 109.737 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.82 -15.88 63.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 14.8 pt-20 -59.9 -39.79 86.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.969 -1.082 . . . . 0.0 109.313 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.407 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 85.2 t -59.96 -37.8 73.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.04 -34.32 63.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.673 -0.642 . . . . 0.0 110.437 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 47.2 t0 -70.16 -34.88 73.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.056 -1.028 . . . . 0.0 109.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -68.7 -40.04 80.22 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 t -66.18 -34.82 72.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 61' ' ' ASP . 72.8 mmm -69.95 -28.79 65.85 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.71 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.86 -36.96 73.06 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -78.39 -47.28 17.96 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.026 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 60' ' ' LEU . 3.8 mm? -88.7 -10.74 47.36 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.805 -1.185 . . . . 0.0 110.821 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 57' ' ' MET . 63.0 t0 -80.83 63.32 5.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.12 -40.09 80.35 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.282 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 42.5 p-10 -80.66 -6.49 58.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.993 -1.067 . . . . 0.0 109.196 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.53 91.43 Favored Glycine 0 N--CA 1.496 2.682 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.531 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 45.3 p-10 -106.46 -1.04 23.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.078 -1.249 . . . . 0.0 110.224 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.508 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.46 3.74 88.86 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.2 mt-10 -137.69 139.99 40.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.18 130.46 56.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.986 -1.071 . . . . 0.0 108.374 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -82.77 166.05 19.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.31 -0.868 . . . . 0.0 110.434 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 82' ' ' THR . 23.7 t80 -46.26 -29.14 1.49 Allowed 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.503 -0.748 . . . . 0.0 109.501 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.55 -48.68 46.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.144 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.199 -0.938 . . . . 0.0 109.606 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -69.81 -27.16 64.66 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.286 -0.884 . . . . 0.0 108.966 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.446 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.02 -40.01 87.81 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.97 71.45 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.879 -1.138 . . . . 0.0 110.078 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.66 -40.08 90.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.042 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -36.53 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.433 -0.792 . . . . 0.0 109.903 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 74' ' ' MET . 3.6 m -69.17 -40.01 78.38 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.619 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.57 -49.84 75.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 110.804 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.25 -31.06 49.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.727 -1.233 . . . . 0.0 109.961 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.3 m -60.08 -40.08 88.29 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.824 0.821 . . . . 0.0 108.911 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.474 HG23 ' CE2' ' A' ' 70' ' ' PHE . 26.5 m -60.12 -39.9 87.83 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.03 89.21 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.419 ' SG ' ' SD ' ' A' ' 7' ' ' MET . 5.7 m -59.99 -32.78 71.17 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.835 -0.541 . . . . 0.0 109.882 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.424 ' NE2' ' OE2' ' B' ' 89' ' ' GLU . 13.3 t-160 -59.83 -40.13 87.42 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -59.95 -39.82 86.88 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -77.32 -22.5 51.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.506 -0.746 . . . . 0.0 110.026 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 42.7 t80 -85.41 -10.05 56.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.965 -1.085 . . . . 0.0 109.364 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.424 ' OE2' ' NE2' ' B' ' 85' ' ' HIS . 62.2 mm-40 -87.15 95.92 10.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 108.722 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -60.02 -39.97 87.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.788 . . . . 0.0 109.29 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.228 -0.92 . . . . 0.0 . 179.345 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -60.5 -40.0 89.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.88 . . . . 0.0 109.833 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.21 140.0 58.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 108.783 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -69.53 135.77 50.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -60.58 -39.96 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 108.918 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.9 128.48 56.16 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -68.16 140.04 56.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -0.935 . . . . 0.0 109.144 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.7 -179.56 52.13 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -90.58 171.43 9.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.397 -1.061 . . . . 0.0 109.523 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.478 ' O ' ' N ' ' X' ' 103' ' ' SER . 68.4 m -51.3 -29.21 14.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.453 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.536 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.8 t -42.4 -24.64 0.06 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.474 -0.766 . . . . 0.0 109.077 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.478 ' N ' ' O ' ' X' ' 101' ' ' SER . 57.8 m -45.34 -24.71 0.31 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.723 -0.611 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -55.6 -28.51 55.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.194 -0.941 . . . . 0.0 109.513 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 17.8 p-80 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.581 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 36.8 ttpt -60.02 -29.57 68.59 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.2 -39.9 80.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.434 -0.791 . . . . 0.0 108.971 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.465 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 7.1 tp -79.67 -24.74 41.57 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.033 0.921 . . . . 0.0 109.661 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' X' ' 110' ' ' PHE . 31.3 mmt -60.7 -24.8 65.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.622 -1.298 . . . . 0.0 111.062 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' X' ' 109' ' ' MET . 2.5 p90 -45.28 -39.01 6.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.664 -1.273 . . . . 0.0 110.505 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.465 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 13.4 mtmt -69.9 -40.01 75.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.658 -1.277 . . . . 0.0 108.498 177.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -27.9 66.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.568 -0.707 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.239 0.543 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -60.41 -40.04 89.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.306 -0.871 . . . . 0.0 109.826 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.37 139.99 58.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.074 -1.016 . . . . 0.0 108.776 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -69.49 135.94 50.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.121 -0.987 . . . . 0.0 109.12 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 15.4 t -60.86 -39.98 91.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.855 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.56 128.64 56.09 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.42 140.03 55.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.93 . . . . 0.0 109.065 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.02 -179.62 51.87 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.19 171.58 9.41 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.41 -1.053 . . . . 0.0 109.683 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.488 ' O ' ' N ' ' Y' ' 103' ' ' SER . 70.8 m -51.45 -29.34 15.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.387 -0.821 . . . . 0.0 109.4 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.546 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.7 t -42.02 -24.59 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.655 0.74 . . . . 0.0 109.122 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.488 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.4 m -45.65 -24.74 0.38 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.663 -0.648 . . . . 0.0 109.397 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.441 HH12 ' HG3' ' B' ' 48' ' ' LYS . 10.3 ptp180 -55.55 -28.44 54.91 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.201 -0.937 . . . . 0.0 109.435 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.578 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 18.3 p-80 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.578 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 36.9 ttpt -59.98 -29.66 68.59 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -58.14 -39.91 79.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.338 -0.851 . . . . 0.0 109.003 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.438 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 7.1 tp -79.71 -24.63 41.54 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.972 0.891 . . . . 0.0 109.606 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.408 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 32.0 mmt -60.77 -24.81 66.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.625 -1.297 . . . . 0.0 110.992 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' Y' ' 109' ' ' MET . 2.4 p90 -45.24 -38.83 5.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.666 -1.271 . . . . 0.0 110.567 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.438 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 13.5 mtmt -70.02 -39.75 75.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.69 -1.256 . . . . 0.0 108.504 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -28.2 67.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.675 -0.641 . . . . 0.0 . 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.6 m 60.04 24.84 14.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.49 21.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.399 -0.813 . . . . 0.0 109.33 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.0 tp -59.96 -34.09 72.81 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.09 -40.03 88.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.386 -0.821 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.5 mppt? -69.93 -38.66 76.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.102 -0.999 . . . . 0.0 109.881 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -39.97 83.68 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.217 -0.927 . . . . 0.0 110.976 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.012 -1.055 . . . . 0.0 109.655 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.47 -39.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.622 0.725 . . . . 0.0 109.239 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.98 93.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.693 -0.629 . . . . 0.0 111.648 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.729 -1.232 . . . . 0.0 108.209 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.752 -0.592 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -43.93 97.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.803 -1.186 . . . . 0.0 111.739 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -40.06 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.951 -1.093 . . . . 0.0 110.62 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 27' ' ' LEU . 64.9 t80 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 109.454 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -77.61 -22.21 51.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.92 -1.113 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -55.04 -45.0 75.17 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.102 -0.999 . . . . 0.0 110.569 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CE1' HD23 ' A' ' 35' ' ' LEU . 27.0 p90 -116.18 -26.01 7.38 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.138 -0.976 . . . . 0.0 111.567 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 84.2 p -59.99 -39.95 87.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.656 -1.278 . . . . 0.0 109.322 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.73 -3.5 50.01 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 35.1 ttt-85 -59.98 -44.03 94.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.34 -1.094 . . . . 0.0 109.586 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.4 mm-40 -114.31 160.01 19.56 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.555 0.693 . . . . 0.0 110.06 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.37 -14.72 0.06 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.0 m-20 -80.03 50.65 1.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.785 -1.421 . . . . 0.0 109.714 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -70.62 -40.01 73.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.978 -1.076 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -81.91 -14.24 56.42 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.238 -0.914 . . . . 0.0 111.066 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.4 pttt -138.74 159.9 40.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.065 -1.022 . . . . 0.0 108.951 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 14' ' ' PHE . 7.5 tp -113.55 120.49 41.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 0.0 109.048 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -94.74 147.8 22.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.824 -1.173 . . . . 0.0 108.703 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.1 pttm -41.49 -23.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.457 -0.777 . . . . 0.0 109.238 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.88 -49.5 37.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.457 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.99 -36.88 83.15 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.119 -0.988 . . . . 0.0 108.911 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.05 -39.03 84.58 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -60.0 -40.03 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 36.9 tp10 -66.64 -39.96 88.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.405 -0.809 . . . . 0.0 110.261 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.602 ' C ' HD13 ' A' ' 35' ' ' LEU . 3.1 tm? -60.1 -49.52 77.34 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.284 1.04 . . . . 0.0 108.525 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mt -77.53 -48.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.259 -0.901 . . . . 0.0 112.813 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.7 -41.18 27.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.916 -1.115 . . . . 0.0 113.285 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.443 ' OD1' ' OE2' ' A' ' 34' ' ' GLU . 1.7 t-20 -97.06 -33.99 11.33 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.846 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.9 tp10 -88.28 -14.63 37.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.272 -1.518 . . . . 0.0 110.476 -177.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 39' ' ' GLU . 11.0 mt -143.48 51.27 1.36 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.959 -1.088 . . . . 0.0 109.698 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -60.94 -47.76 84.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.042 -1.036 . . . . 0.0 110.404 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -96.86 -37.19 10.34 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.916 -1.115 . . . . 0.0 110.933 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.17 -38.26 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.155 -0.965 . . . . 0.0 110.264 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -125.23 157.78 35.71 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -54.17 106.91 0.22 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.52 144.71 46.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.454 -0.778 . . . . 0.0 109.567 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -91.29 137.96 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -105.03 -19.51 13.81 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 77.9 tt0 -140.04 140.7 36.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.184 -0.948 . . . . 0.0 109.911 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -64.23 -20.55 66.11 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.306 -0.871 . . . . 0.0 110.788 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 17.3 pt-20 -60.04 -37.6 80.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.099 . . . . 0.0 109.286 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.95 -40.01 81.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 59.3 t0 -64.84 -38.25 90.36 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.085 0.945 . . . . 0.0 109.565 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HZ1' ' CD2' ' X' ' 105' ' ' HIS . 33.4 ttpt -68.56 -40.0 80.81 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -66.22 -27.65 41.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -69.55 -32.63 71.55 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.124 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.8 -37.65 68.9 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.12 -1.613 . . . . 0.0 106.857 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -82.15 -44.15 16.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.764 -0.585 . . . . 0.0 111.81 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 53.2 mt -88.71 -19.02 26.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.855 -1.153 . . . . 0.0 110.771 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.8 t0 -80.9 62.95 5.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 87.6 mt-10 -58.77 -39.16 80.19 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.51 -16.33 61.29 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.2 33.43 87.22 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.0 p-10 -108.2 6.91 27.14 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -1.204 . . . . 0.0 110.247 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.56 10.03 86.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.9 mt-10 -145.64 128.47 16.34 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 135.48 39.31 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.763 -1.211 . . . . 0.0 108.537 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -69.04 160.67 30.55 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.81 -39.97 19.74 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.96 -46.39 89.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.658 -0.651 . . . . 0.0 110.866 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 38.0 mt-10 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.98 -1.075 . . . . 0.0 110.545 -177.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -67.52 -34.42 77.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.067 -1.021 . . . . 0.0 109.458 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.0 mmm -59.95 -35.72 75.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.242 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -32.11 70.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.801 -1.187 . . . . 0.0 110.648 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.756 -1.215 . . . . 0.0 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.7 OUTLIER -61.38 -34.87 63.03 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.479 0.656 . . . . 0.0 109.458 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -60.06 -39.98 87.88 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.465 -0.772 . . . . 0.0 110.368 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.5 mtm -79.09 -44.45 22.08 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.604 -1.238 . . . . 0.0 111.885 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 20.7 t -60.03 -38.56 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 118.293 -1.363 . . . . 0.0 109.598 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.08 -39.99 88.0 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -36.99 62.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -62.01 -40.0 94.19 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.98 -36.34 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.635 -0.665 . . . . 0.0 109.818 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.9 t-160 -59.95 -40.49 89.17 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.055 -1.028 . . . . 0.0 109.075 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.76 -40.95 98.87 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.9 -1.125 . . . . 0.0 108.421 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.29 -38.31 56.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.446 -0.784 . . . . 0.0 109.721 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.37 15.66 13.42 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' HIS . 53.6 tp10 -59.31 100.69 0.08 Allowed 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.657 ' CD2' ' H ' ' A' ' 90' ' ' HIS . 5.7 p80 -72.65 65.39 0.68 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.463 -0.773 . . . . 0.0 . -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.449 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 60.01 24.74 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.16 -0.962 . . . . 0.0 109.605 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -76.44 21.85 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 109.254 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.9 tp -60.02 -34.14 72.96 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.205 -0.934 . . . . 0.0 109.325 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -39.95 87.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.343 -0.848 . . . . 0.0 111.122 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.465 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -70.01 -38.75 76.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.052 -1.03 . . . . 0.0 109.778 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.05 83.23 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.916 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -64.12 -39.97 95.19 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -39.81 86.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 CA-C-O 121.587 0.708 . . . . 0.0 109.167 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.15 93.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.706 -0.621 . . . . 0.0 111.647 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.712 -1.243 . . . . 0.0 108.24 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -65.65 -39.97 86.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.828 -0.545 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.81 -44.1 97.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.882 -1.136 . . . . 0.0 111.706 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -39.98 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.94 -1.1 . . . . 0.0 110.647 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' B' ' 27' ' ' LEU . 64.6 t80 -60.01 -39.97 87.62 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.746 -1.221 . . . . 0.0 109.39 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -77.67 -22.08 51.12 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.815 -1.178 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -55.04 -45.02 75.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.168 -0.957 . . . . 0.0 110.574 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' HD23 ' B' ' 35' ' ' LEU . 26.2 p90 -116.16 -26.11 7.35 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.14 -0.975 . . . . 0.0 111.609 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 83.0 p -59.99 -39.9 87.29 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.667 -1.271 . . . . 0.0 109.332 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.9 -3.4 50.97 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.356 -1.497 . . . . 0.0 109.356 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 34.5 ttt-85 -60.03 -43.99 94.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.363 -1.081 . . . . 0.0 109.504 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -114.31 160.0 19.57 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.594 0.711 . . . . 0.0 110.055 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -14.74 0.06 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 98.1 m-20 -79.98 50.75 1.24 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.738 -1.448 . . . . 0.0 109.676 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.69 -40.03 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.21 -13.83 56.5 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.164 -0.96 . . . . 0.0 111.065 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' B' ' 23' ' ' ASP . 52.5 pttt -138.87 159.69 41.53 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.092 -1.005 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' B' ' 14' ' ' PHE . 7.3 tp -113.46 120.59 41.55 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.334 -0.854 . . . . 0.0 109.007 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.5 tttt -94.89 147.77 23.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.22 . . . . 0.0 108.661 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' B' ' 28' ' ' LYS . 24.0 pttm -41.44 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.69 0.757 . . . . 0.0 109.246 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -71.85 -49.34 39.16 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.467 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -66.89 -37.12 83.78 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.126 -0.984 . . . . 0.0 108.915 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -39.09 84.52 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.97 -40.03 87.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.409 -0.807 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 37.2 tp10 -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.453 -0.779 . . . . 0.0 110.222 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.609 HD13 ' C ' ' B' ' 35' ' ' LEU . 3.1 tm? -60.0 -49.52 77.36 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 122.281 1.039 . . . . 0.0 108.577 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -77.57 -47.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 O-C-N 121.371 -0.831 . . . . 0.0 112.848 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -79.71 -41.27 27.09 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.9 -1.125 . . . . 0.0 113.23 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 34' ' ' GLU . 1.7 t-20 -96.97 -34.08 11.34 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.828 ' O ' HD23 ' B' ' 40' ' ' LEU . 10.7 tp10 -88.25 -14.7 37.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.285 -1.51 . . . . 0.0 110.494 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.828 HD23 ' O ' ' B' ' 39' ' ' GLU . 11.2 mt -143.34 51.19 1.38 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.932 -1.105 . . . . 0.0 109.74 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -60.52 -48.34 82.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.087 -1.008 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.75 -37.06 10.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.924 -1.11 . . . . 0.0 110.915 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.04 -38.59 83.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -0.97 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -125.07 157.83 35.28 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.34 -0.85 . . . . 0.0 109.063 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -54.15 106.95 0.22 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.264 -0.898 . . . . 0.0 109.089 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.53 144.82 46.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.401 -0.812 . . . . 0.0 109.625 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -91.37 137.86 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -104.96 -19.37 13.87 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.32 -0.862 . . . . 0.0 109.831 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 76.9 tt0 -140.03 140.73 36.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.287 -0.883 . . . . 0.0 109.84 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -64.31 -20.72 66.27 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 110.777 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 16.8 pt-20 -59.97 -37.57 79.99 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 109.304 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.05 -40.02 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.23 -35.73 75.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 O-C-N 121.957 -0.464 . . . . 0.0 109.753 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -65.05 -38.06 89.62 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.053 0.93 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.658 ' HZ1' ' CD2' ' Y' ' 105' ' ' HIS . 33.0 ttpt -68.57 -40.03 80.75 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -66.18 -27.74 41.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.555 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -69.6 -32.66 71.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.175 -1.578 . . . . 0.0 106.809 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 61.4 m -82.19 -44.23 16.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.759 -0.588 . . . . 0.0 111.707 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.416 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 53.2 mt -88.72 -18.9 26.87 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.832 -1.168 . . . . 0.0 110.792 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.7 t0 -80.86 62.84 5.03 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 88.7 mt-10 -58.59 -39.32 80.04 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.41 -16.38 61.33 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.29 33.54 87.52 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.0 p-10 -108.38 7.02 26.88 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.093 -1.24 . . . . 0.0 110.218 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.51 9.97 86.35 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.465 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.7 mt-10 -145.66 128.35 16.2 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 135.57 39.14 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' B' ' 70' ' ' PHE . 78.9 m-20 -69.07 160.8 30.34 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' B' ' 69' ' ' ASP . 2.7 t80 -47.82 -39.86 19.56 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.0 -46.47 89.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.637 -0.664 . . . . 0.0 110.904 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 38.0 mt-10 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.025 -1.047 . . . . 0.0 110.54 -177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.72 -34.12 76.24 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.6 mmm -59.97 -35.77 75.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 110.262 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.09 69.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.76 -1.212 . . . . 0.0 110.544 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.718 -1.239 . . . . 0.0 109.372 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.434 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -61.57 -34.71 62.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 CA-C-O 121.429 0.633 . . . . 0.0 109.454 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 54.1 m -60.0 -40.02 87.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.399 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.9 mtm -78.97 -44.46 22.4 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.599 -1.24 . . . . 0.0 111.993 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 83' ' ' ALA . 21.5 t -60.02 -38.7 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.203 -1.399 . . . . 0.0 109.497 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -36.97 62.85 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -62.18 -39.53 92.98 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.0 -36.71 77.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.59 -0.694 . . . . 0.0 109.857 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' B' ' 89' ' ' GLU . 12.0 t-80 -59.94 -40.32 88.54 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.034 -1.041 . . . . 0.0 109.15 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.392 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -76.27 -38.23 56.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.762 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.44 15.66 13.55 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' B' ' 85' ' ' HIS . 53.6 tp10 -59.28 100.91 0.08 Allowed 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.645 ' CD2' ' H ' ' B' ' 90' ' ' HIS . 5.6 p80 -72.76 65.32 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.458 -0.776 . . . . 0.0 . -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -98.72 133.2 43.38 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.299 -0.875 . . . . 0.0 109.833 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 69.6 tp -107.7 135.59 48.87 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -85.05 133.56 34.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 43.1 t -70.01 -17.92 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.387 -0.821 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.66 130.01 38.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.091 -1.005 . . . . 0.0 109.651 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.46 153.63 23.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.473 -0.767 . . . . 0.0 109.319 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.41 121.12 5.35 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -82.68 155.52 24.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.305 -1.115 . . . . 0.0 110.179 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.432 ' O ' ' N ' ' X' ' 103' ' ' SER . 44.9 m -50.02 -24.89 2.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.46 -0.775 . . . . 0.0 109.613 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.556 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 15.3 t -43.19 -24.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.474 -0.767 . . . . 0.0 109.786 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.432 ' N ' ' O ' ' X' ' 101' ' ' SER . 33.9 t -48.16 -24.86 1.26 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.194 -0.941 . . . . 0.0 109.127 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' X' ' 104' ' ' ARG . 42.6 mtt-85 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.51 -0.744 . . . . 0.0 109.697 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.588 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.0 p-80 -57.25 -33.1 67.25 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.917 -1.115 . . . . 0.0 108.373 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.588 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 17.1 ttpp -59.95 -32.83 71.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.38 -39.97 81.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.283 -0.885 . . . . 0.0 108.707 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.72 -24.54 44.84 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.403 -0.811 . . . . 0.0 109.871 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.4 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.2 mmt -57.28 -24.76 56.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.647 -1.283 . . . . 0.0 110.465 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.461 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 1.2 p90 -48.87 -33.78 11.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.529 -1.357 . . . . 0.0 109.284 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.461 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.3 OUTLIER -70.59 -40.1 73.44 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.749 -1.219 . . . . 0.0 109.002 176.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -60.82 -32.37 71.75 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.341 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.891 . . . . 0.0 . 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -98.46 133.52 42.72 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.319 -0.863 . . . . 0.0 109.911 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 61.8 tp -107.72 135.3 49.37 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.62 133.23 34.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.838 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 46.4 t -70.0 -18.27 63.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.35 -0.843 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -54.32 130.01 37.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 0.0 109.672 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.61 153.54 23.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.372 -0.83 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.49 121.23 5.5 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.04 155.36 23.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -1.089 . . . . 0.0 110.179 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.433 ' O ' ' N ' ' Y' ' 103' ' ' SER . 41.7 m -49.6 -24.99 2.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.44 -0.788 . . . . 0.0 109.761 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.548 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 15.2 t -43.19 -24.96 0.1 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.384 -0.822 . . . . 0.0 109.859 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.433 ' N ' ' O ' ' Y' ' 101' ' ' SER . 38.7 t -48.3 -24.83 1.32 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.079 -1.013 . . . . 0.0 109.052 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' Y' ' 104' ' ' ARG . 44.5 mtt-85 -59.98 -40.03 87.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.807 . . . . 0.0 109.761 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.658 ' CD2' ' HZ1' ' B' ' 55' ' ' LYS . 4.9 p-80 -57.15 -33.08 67.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.953 -1.092 . . . . 0.0 108.361 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.586 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 17.2 ttpp -60.0 -32.86 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.36 -40.0 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 108.725 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 55.5 tp -78.74 -24.47 44.79 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.367 -0.833 . . . . 0.0 109.897 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 14.8 mmt -57.34 -24.73 56.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.663 -1.273 . . . . 0.0 110.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.462 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 1.2 p90 -48.85 -33.75 11.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.535 -1.353 . . . . 0.0 109.241 -178.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.462 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.3 OUTLIER -70.46 -40.8 73.49 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.7 -1.25 . . . . 0.0 109.0 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -60.06 -32.03 70.55 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.512 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 77.8 mm-40 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.892 . . . . 0.0 . 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mtp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p 53.54 36.97 24.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 109.595 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.94 -1.15 21.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.551 -0.718 . . . . 0.0 109.289 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -48.36 -19.52 0.31 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.462 -0.773 . . . . 0.0 109.999 -178.279 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' NE2' ' B' ' 42' ' ' HIS . 99.7 mt-10 -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.24 -1.538 . . . . 0.0 109.014 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -77.35 -38.13 50.84 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.696 -0.628 . . . . 0.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.27 -39.97 71.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.206 -0.934 . . . . 0.0 112.212 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 2.1 mtt -70.04 -39.93 75.44 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.938 -1.101 . . . . 0.0 109.217 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.18 -32.38 47.39 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 121.568 -0.708 . . . . 0.0 110.207 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.51 -36.08 63.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.462 -0.774 . . . . 0.0 110.856 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.07 -43.8 95.2 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.26 -38.13 77.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.48 -44.03 96.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.021 -1.049 . . . . 0.0 112.244 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -39.88 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.831 -1.168 . . . . 0.0 109.693 -178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 70' ' ' PHE . 15.8 t80 -58.69 -39.97 82.28 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.2 -37.03 79.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 111.078 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -59.95 -40.65 89.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.735 -1.228 . . . . 0.0 110.876 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 44.6 m-85 -86.67 -34.32 19.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.697 -1.252 . . . . 0.0 111.924 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 4.9 t -60.05 -40.03 88.02 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.93 -1.106 . . . . 0.0 109.727 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.37 -6.97 77.33 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 20' ' ' ARG . 38.1 ttt-85 -60.01 -46.72 88.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.129 -1.218 . . . . 0.0 109.635 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -115.0 159.63 20.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.65 0.738 . . . . 0.0 110.057 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.36 -18.84 0.6 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 26' ' ' LYS . 5.3 m-20 -79.45 59.78 3.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.829 -1.395 . . . . 0.0 110.053 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' O ' ' OG ' ' A' ' 18' ' ' SER . 33.4 ttmt -62.44 -39.95 95.03 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.955 -1.091 . . . . 0.0 109.345 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.72 -17.97 52.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 111.467 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.5 mttt -140.72 156.54 46.17 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.717 -1.239 . . . . 0.0 111.144 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.01 132.1 53.88 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.4 mtpm? -102.98 150.44 23.54 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' LYS . 19.5 pttp -42.37 -26.55 0.11 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.873 0.844 . . . . 0.0 109.063 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.5 t -75.88 -49.91 16.56 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.577 0.703 . . . . 0.0 109.4 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 56.1 tt0 -68.21 -32.99 73.6 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.03 -38.79 83.77 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HD3' HG21 ' A' ' 53' ' ' VAL . 9.2 tptp -57.72 -40.0 78.55 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.0 -40.05 83.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.861 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.718 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.7 tm? -59.97 -50.01 75.44 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.569 -1.332 . . . . 0.0 108.713 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.433 HG23 HD12 ' A' ' 40' ' ' LEU . 49.1 mt -74.97 -46.78 39.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.714 -0.616 . . . . 0.0 112.312 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -66.81 -40.04 87.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.04 -1.038 . . . . 0.0 112.513 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.3 t-20 -99.25 -33.73 10.63 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 39' ' ' GLU . 2.5 tm-20 -82.55 -19.19 39.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.224 -1.547 . . . . 0.0 110.005 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HG23 ' A' ' 36' ' ' ILE . 28.6 mt -115.48 33.46 5.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.21 -0.931 . . . . 0.0 109.282 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -59.95 -40.11 87.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.444 ' NE2' ' OE2' ' B' ' 4' ' ' GLU . 54.8 p-80 -117.49 -11.36 10.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 8.8 t80 -64.33 -43.94 93.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.817 -1.177 . . . . 0.0 109.197 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 44' ' ' LEU . 1.9 pp -160.38 176.59 11.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.821 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -53.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 12.5 pt-20 -61.1 -175.9 0.05 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 109.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.466 HG21 HG23 ' A' ' 53' ' ' VAL . 5.1 mm -93.05 146.96 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 110.049 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 30.1 mmtp -113.73 -23.6 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.702 -0.624 . . . . 0.0 109.633 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -131.88 154.71 48.93 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.99 -25.74 63.75 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.4 -40.02 89.4 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.171 -0.956 . . . . 0.0 110.62 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.37 -39.88 82.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 120.975 -1.078 . . . . 0.0 108.697 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.466 HG23 HG21 ' A' ' 47' ' ' ILE . 61.0 t -62.63 -39.96 86.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.529 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.25 -39.95 92.23 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.64 -0.663 . . . . 0.0 109.627 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.59 -40.02 95.88 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.07 -31.34 53.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.3 mmm -69.96 -28.32 65.45 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.706 -0.798 . . . . 0.0 108.869 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -39.92 87.31 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -80.39 -40.05 27.24 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 76' ' ' PHE . 4.0 mm? -88.34 -18.05 29.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.849 -1.157 . . . . 0.0 110.5 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -79.46 60.87 3.33 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.99 -34.87 73.91 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -77.31 -10.03 59.19 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.32 28.71 72.73 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.78 5.42 28.59 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.104 -1.233 . . . . 0.0 110.263 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.539 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 77.3 9.07 87.02 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 -179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.709 ' O ' 'CA ' ' A' ' 115' ' ' ' CA' . 63.7 mt-10 -139.49 136.06 34.17 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 16.9 p -103.2 128.09 50.28 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 43.7 t0 -74.33 165.95 24.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.183 -0.948 . . . . 0.0 110.243 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -53.09 -37.1 61.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.19 -0.944 . . . . 0.0 108.898 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.29 -37.88 81.1 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.187 -0.946 . . . . 0.0 109.578 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.96 -40.18 87.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.936 -1.103 . . . . 0.0 109.639 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 77' ' ' VAL . 83.4 t80 -64.94 -33.86 77.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 109.611 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -39.65 85.92 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.877 -0.514 . . . . 0.0 110.398 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.01 68.76 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.674 -1.211 . . . . 0.0 111.083 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.702 ' HB2' HD11 ' A' ' 60' ' ' LEU . 73.1 t80 -70.24 -20.78 63.05 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.139 . . . . 0.0 110.534 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.461 HG11 HD21 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -80.03 -31.65 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.908 -1.12 . . . . 0.0 109.562 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 p -69.91 -40.38 75.61 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.596 -1.242 . . . . 0.0 109.701 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.06 -41.55 70.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.07 -1.019 . . . . 0.0 110.65 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 76' ' ' PHE . 87.7 t -63.35 -39.43 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.455 -1.403 . . . . 0.0 109.092 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -37.02 78.37 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 m -52.37 -39.17 60.45 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.97 92.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 109.366 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.02 -38.8 83.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.329 -0.857 . . . . 0.0 109.961 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -57.43 -39.88 77.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 0.0 109.201 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.681 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.11 -24.25 21.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.015 -1.053 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -93.86 4.02 54.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.937 -1.102 . . . . 0.0 108.448 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.07 -98.53 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.15 -20.2 62.33 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.487 1.381 0 O-C-N 121.87 -0.519 . . . . 0.0 . -179.731 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.8 p 53.6 36.99 24.91 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 109.499 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -74.88 -1.42 22.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.535 -0.728 . . . . 0.0 109.168 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.539 HD23 ' O ' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -48.12 -19.66 0.29 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 110.071 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' NE2' ' A' ' 42' ' ' HIS . 98.9 mt-10 -66.8 -40.45 88.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.177 -1.577 . . . . 0.0 109.133 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -77.14 -38.29 52.29 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.763 -0.585 . . . . 0.0 110.906 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -40.02 71.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.197 -0.94 . . . . 0.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.547 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 2.0 mtt -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.834 -1.166 . . . . 0.0 109.229 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -71.25 -32.26 46.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.538 -0.726 . . . . 0.0 110.103 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.23 -36.94 63.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.795 . . . . 0.0 110.717 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -60.0 -43.19 95.35 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.57 -38.43 76.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.859 -0.526 . . . . 0.0 110.215 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.17 -43.85 95.48 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.077 -1.014 . . . . 0.0 112.366 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -39.9 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.766 -1.209 . . . . 0.0 109.565 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' B' ' 70' ' ' PHE . 15.4 t80 -58.44 -40.02 81.41 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 119.301 -0.96 . . . . 0.0 108.718 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.07 -36.83 78.21 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.203 -0.936 . . . . 0.0 111.193 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -59.98 -40.53 89.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.761 -1.212 . . . . 0.0 110.995 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.454 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 44.3 m-85 -86.87 -34.66 19.37 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.76 -1.212 . . . . 0.0 111.881 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 4.9 t -59.9 -40.02 87.39 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.977 -1.077 . . . . 0.0 109.76 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -6.74 76.44 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -60.12 -46.78 88.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.26 . . . . 0.0 109.559 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -115.05 159.4 20.86 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.708 0.766 . . . . 0.0 110.068 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.11 -18.73 0.49 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 26' ' ' LYS . 5.5 m-20 -79.57 59.37 2.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.859 -1.377 . . . . 0.0 110.053 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.472 ' O ' ' OG ' ' B' ' 18' ' ' SER . 33.5 ttmt -62.08 -40.01 94.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.99 -1.069 . . . . 0.0 109.402 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -79.85 -17.88 52.13 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 111.409 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 23' ' ' ASP . 98.9 mttt -140.5 155.95 46.49 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.78 -1.2 . . . . 0.0 111.144 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -107.94 132.13 53.81 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' B' ' 30' ' ' SER . 7.5 mtpm? -103.09 150.49 23.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 28' ' ' LYS . 19.5 pttp -42.44 -26.7 0.12 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.913 0.863 . . . . 0.0 109.062 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.1 t -75.71 -49.98 16.69 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.589 0.709 . . . . 0.0 109.343 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 57.2 tt0 -68.36 -32.79 73.14 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.03 -38.52 82.96 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.417 ' HD3' HG21 ' B' ' 53' ' ' VAL . 9.0 tptp -58.11 -39.8 79.57 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.573 -0.704 . . . . 0.0 109.182 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.34 -39.99 81.73 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.908 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.732 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.6 tm? -60.01 -50.09 75.11 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.508 -1.37 . . . . 0.0 108.446 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.461 HG23 HD12 ' B' ' 40' ' ' LEU . 41.3 mt -74.77 -46.59 40.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.594 -0.691 . . . . 0.0 112.504 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.01 -40.04 87.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.969 -1.082 . . . . 0.0 112.518 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 1.3 t-20 -98.87 -34.4 10.49 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.15 -19.24 40.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.171 -1.581 . . . . 0.0 110.194 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.461 HD12 HG23 ' B' ' 36' ' ' ILE . 26.1 mt -115.33 33.54 5.39 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.209 -0.932 . . . . 0.0 109.132 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -39.95 87.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 109.978 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.422 ' NE2' ' OE2' ' A' ' 4' ' ' GLU . 53.9 p-80 -117.54 -11.42 10.48 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.379 -0.826 . . . . 0.0 110.273 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 8.9 t80 -64.27 -43.88 93.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.882 -1.136 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.505 ' C ' HD12 ' B' ' 44' ' ' LEU . 2.0 pp -160.78 176.05 11.91 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.251 -0.906 . . . . 0.0 109.751 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.6 tp10 -52.75 96.56 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 44' ' ' LEU . 12.1 pt-20 -61.15 -176.34 0.06 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.501 -0.75 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.46 HG21 HG23 ' B' ' 53' ' ' VAL . 5.2 mm -92.69 147.09 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.325 -0.86 . . . . 0.0 110.001 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.492 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 30.4 mmtp -113.86 -23.93 9.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.665 -0.647 . . . . 0.0 109.597 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -131.76 154.88 48.61 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.32 -0.862 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.98 -25.91 63.84 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.25 -40.0 88.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.34 -39.91 82.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.02 -1.05 . . . . 0.0 108.675 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.46 HG23 HG21 ' B' ' 47' ' ' ILE . 57.6 t -62.65 -40.07 87.06 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.625 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -61.22 -39.78 91.54 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.557 -0.714 . . . . 0.0 109.551 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -63.71 -40.08 95.88 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.4 mmm -69.95 -28.39 65.53 Favored 'General case' 0 C--O 1.2 -1.544 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -59.91 -39.99 87.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.5 m -80.18 -40.23 27.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.784 -0.573 . . . . 0.0 111.012 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' B' ' 76' ' ' PHE . 4.1 mm? -87.95 -18.38 29.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.919 -1.113 . . . . 0.0 110.585 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 60.7 t0 -79.26 60.84 3.2 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -59.99 -34.94 74.0 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -77.36 -10.26 59.34 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.54 28.7 72.86 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -106.6 5.27 28.86 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.142 -1.211 . . . . 0.0 110.184 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.569 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 77.51 9.02 87.11 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -139.52 135.79 33.83 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 16.1 p -102.94 128.26 49.82 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.188 -0.945 . . . . 0.0 108.586 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 40.3 t0 -74.3 166.29 23.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -53.49 -37.17 62.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.0 108.906 -179.185 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -68.09 -37.76 81.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.128 -0.983 . . . . 0.0 109.568 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.48 -40.04 85.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.879 -1.138 . . . . 0.0 109.559 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.439 ' O ' HG23 ' B' ' 77' ' ' VAL . 85.1 t80 -64.5 -34.25 77.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.419 -0.801 . . . . 0.0 109.608 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.96 -39.53 85.9 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.238 0.542 . . . . 0.0 110.412 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.54 68.23 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.695 -1.253 . . . . 0.0 111.293 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.632 ' HB2' HD11 ' B' ' 60' ' ' LEU . 72.0 t80 -70.94 -20.38 62.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.939 -1.1 . . . . 0.0 110.487 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.487 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -80.09 -31.67 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.005 -1.06 . . . . 0.0 109.569 -179.515 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.9 p -69.77 -40.55 76.01 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.604 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -70.99 -41.69 70.63 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.683 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 76' ' ' PHE . 86.3 t -63.23 -39.54 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.498 -1.376 . . . . 0.0 108.985 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -37.06 78.44 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.6 m -52.36 -39.33 60.64 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.99 -38.33 82.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.345 -0.847 . . . . 0.0 109.977 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -57.71 -39.83 78.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.221 -0.924 . . . . 0.0 109.198 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -39.86 87.28 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.261 -0.9 . . . . 0.0 109.77 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.17 -24.27 21.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.123 -0.986 . . . . 0.0 110.594 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' B' ' 89' ' ' GLU . 3.6 m-85 -93.85 4.05 54.49 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.964 -1.085 . . . . 0.0 108.434 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' B' ' 88' ' ' PHE . 87.1 tt0 -53.99 -98.29 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.26 -20.32 62.24 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 . . . . . 0 N--CA 1.487 1.419 0 O-C-N 121.985 -0.447 . . . . 0.0 . -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.274 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tt -113.78 128.5 56.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.581 -0.699 . . . . 0.0 109.23 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -101.09 139.67 36.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.428 -0.795 . . . . 0.0 108.962 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 84.4 p -66.39 146.73 54.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.643 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.45 28.27 3.05 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.492 -0.755 . . . . 0.0 109.673 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 55.69 40.45 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.335 -0.853 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.53 63.5 2.14 Favored Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.267 -0.896 . . . . 0.0 111.58 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -80.0 160.13 25.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.935 -1.332 . . . . 0.0 109.27 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -50.08 -24.77 2.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.772 . . . . 0.0 109.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 26.2 m -48.83 -28.29 3.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.906 -1.121 . . . . 0.0 109.435 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -48.84 -24.85 1.59 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -38.04 81.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.477 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 43.0 t-80 -59.86 -40.0 87.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.888 -1.132 . . . . 0.0 108.604 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.83 -30.43 68.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.219 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.01 -39.85 87.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.922 -1.111 . . . . 0.0 108.281 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 tp -69.69 -31.16 69.03 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.631 -0.668 . . . . 0.0 109.547 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.38 55.88 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.769 -1.207 . . . . 0.0 109.794 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.534 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -39.86 -45.94 1.9 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.742 . . . . 0.0 110.494 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.16 -28.84 42.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.975 -1.078 . . . . 0.0 108.951 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.461 ' N ' ' O ' ' X' ' 109' ' ' MET . 94.3 m -59.96 -40.27 88.49 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.406 -0.809 . . . . 0.0 . 178.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.265 0.555 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.217 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 8.1 tt -113.75 128.35 56.38 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.533 -0.729 . . . . 0.0 109.312 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -100.71 139.85 35.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.372 -0.83 . . . . 0.0 108.945 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 84.5 p -66.7 146.67 54.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.287 -0.883 . . . . 0.0 109.442 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.39 28.16 3.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.435 -0.791 . . . . 0.0 109.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt 55.6 40.29 31.03 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.26 -0.9 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.62 63.94 2.02 Favored Glycine 0 N--CA 1.494 2.564 0 O-C-N 121.304 -0.873 . . . . 0.0 111.541 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.01 160.03 26.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.901 -1.353 . . . . 0.0 109.157 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -50.27 -24.74 3.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.827 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 28.6 m -48.54 -28.56 3.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.367 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 42.4 t -48.68 -24.96 1.55 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.966 . . . . 0.0 108.605 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.01 -37.88 81.01 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.492 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 44.3 t-80 -59.94 -40.01 87.48 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.92 -1.112 . . . . 0.0 108.577 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.98 -30.39 69.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.116 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.93 -39.93 87.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.861 -1.149 . . . . 0.0 108.25 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.46 -31.12 69.22 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.591 -0.693 . . . . 0.0 109.607 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -57.56 -24.35 55.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.718 -1.239 . . . . 0.0 109.802 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 3.9 p90 -39.78 -46.14 1.88 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.456 -0.777 . . . . 0.0 110.462 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.08 -28.93 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.963 -1.086 . . . . 0.0 109.048 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.456 ' N ' ' O ' ' Y' ' 109' ' ' MET . 94.2 m -60.06 -39.9 87.6 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 . 178.837 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . 0.709 'CA ' ' O ' ' A' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.511 ' N ' ' SD ' ' A' ' 0' ' ' MET . 1.9 mpt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 51.89 18.58 0.81 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.506 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.97 -5.24 42.83 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.489 -0.757 . . . . 0.0 109.472 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -42.52 -25.46 0.08 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.745 -0.597 . . . . 0.0 110.37 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLU . 86.0 tt0 -68.76 -39.96 79.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 109.582 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.3 mppt? -75.54 -35.15 60.74 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.514 -0.741 . . . . 0.0 109.841 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -69.93 -43.32 71.89 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.39 -0.819 . . . . 0.0 111.825 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -66.28 -40.04 89.8 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.901 -1.124 . . . . 0.0 109.738 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.72 -35.64 73.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.831 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -70.03 -36.92 75.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.633 -0.667 . . . . 0.0 111.428 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.92 -40.06 87.56 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.766 -1.209 . . . . 0.0 107.79 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -69.13 -39.88 79.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.868 -0.52 . . . . 0.0 111.07 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.54 -41.7 99.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.67 -1.269 . . . . 0.0 111.742 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -39.92 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.897 -1.127 . . . . 0.0 110.185 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 12.0 t80 -59.25 -36.28 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.933 -1.105 . . . . 0.0 108.611 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -70.13 -28.39 65.34 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.183 -0.948 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.07 -42.01 93.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.48 -1.387 . . . . 0.0 110.14 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.89 -39.48 10.2 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.971 -1.081 . . . . 0.0 111.96 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.493 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . 21.2 p -61.0 -40.82 95.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.125 -0.984 . . . . 0.0 110.504 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.87 -11.78 83.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -60.01 -48.04 83.34 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -1.207 . . . . 0.0 109.063 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -93.19 -4.07 52.72 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.34 -8.16 79.5 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' LYS . 65.5 m-20 -80.36 67.79 6.31 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.579 -1.542 . . . . 0.0 108.915 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -69.99 -33.43 72.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.0 109.957 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -77.28 -29.14 53.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.159 -0.963 . . . . 0.0 110.699 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.9 pttt -136.95 157.77 45.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.148 -0.97 . . . . 0.0 109.497 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -120.01 129.59 54.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 30' ' ' SER . 91.0 mttt -92.84 152.75 19.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.695 -1.253 . . . . 0.0 110.186 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -49.55 -22.58 1.3 Allowed 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 28' ' ' LYS . 26.4 t -76.05 -53.7 7.95 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.511 0.672 . . . . 0.0 109.337 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.99 -33.97 76.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.26 -41.78 97.5 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.885 -0.509 . . . . 0.0 110.192 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.08 -40.03 95.37 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.988 -1.07 . . . . 0.0 110.251 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.16 -38.14 89.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.143 -0.973 . . . . 0.0 109.467 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.692 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.4 tt -65.69 -48.36 72.29 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.05 -1.031 . . . . 0.0 108.903 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.531 HG23 HD12 ' A' ' 40' ' ' LEU . 74.0 mt -73.35 -46.37 49.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.438 -0.788 . . . . 0.0 111.056 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 21.6 t-20 -68.75 -39.69 80.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.928 -1.108 . . . . 0.0 112.368 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.675 ' N ' HD22 ' A' ' 38' ' ' ASN . 0.6 OUTLIER -96.91 -35.57 10.85 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.216 -0.927 . . . . 0.0 113.156 -176.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.23 -10.05 59.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.114 -1.616 . . . . 0.0 109.866 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.531 HD12 HG23 ' A' ' 36' ' ' ILE . 24.6 mt -117.6 54.79 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.255 -0.903 . . . . 0.0 108.61 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -60.01 -42.44 94.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.11 -0.994 . . . . 0.0 110.498 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -131.76 1.87 4.03 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.222 -0.924 . . . . 0.0 109.968 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -50.32 73.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.168 -0.958 . . . . 0.0 109.396 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.25 -161.5 0.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.064 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' X' ' 105' ' ' HIS . 86.1 tt0 -52.3 94.85 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.752 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.35 152.98 39.84 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.473 HG21 HG23 ' A' ' 53' ' ' VAL . 36.5 mm -82.22 139.39 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.778 -1.201 . . . . 0.0 109.755 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -117.75 -13.66 10.16 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.497 -0.752 . . . . 0.0 109.149 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.75 150.78 46.5 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.25 -0.906 . . . . 0.0 110.762 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -68.29 -26.46 65.66 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.04 -39.93 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.568 -0.707 . . . . 0.0 111.587 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -39.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.754 -1.216 . . . . 0.0 109.012 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.473 HG23 HG21 ' A' ' 47' ' ' ILE . 89.2 t -64.4 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.764 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -62.05 -39.86 93.78 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.577 -0.702 . . . . 0.0 109.944 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.13 -40.0 93.83 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.17 -33.53 61.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.5 mmm -69.96 -30.03 67.3 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.175 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.44 -35.48 67.9 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -80.59 -46.98 14.82 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.713 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 30.6 mt -88.16 -13.99 39.81 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.826 -1.171 . . . . 0.0 110.605 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.6 t0 -79.85 60.32 3.42 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 62.0 mt-10 -59.95 -40.07 87.75 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.871 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -80.49 -5.51 56.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.299 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 66.15 33.68 85.98 Favored Glycine 0 N--CA 1.497 2.705 0 C-N-CA 120.124 -1.036 . . . . 0.0 110.963 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 47.9 p-10 -106.42 1.24 25.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.006 -1.29 . . . . 0.0 110.103 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.54 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.02 4.19 89.6 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.9 mt-10 -135.17 133.01 38.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.88 123.32 38.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.901 -1.124 . . . . 0.0 108.834 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.33 163.1 25.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 111.213 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t80 -41.26 -43.01 2.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -67.23 -43.72 81.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.417 -0.802 . . . . 0.0 110.082 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 46.8 mt-10 -63.21 -40.17 96.7 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.925 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.62 -35.78 75.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.789 -1.195 . . . . 0.0 109.164 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.0 mmm -59.94 -37.51 79.72 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.584 -0.698 . . . . 0.0 110.43 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.01 -33.49 73.74 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.745 -1.222 . . . . 0.0 110.673 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.919 -1.113 . . . . 0.0 110.379 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.469 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.15 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 121.198 0.523 . . . . 0.0 109.972 -178.685 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 6.2 p -65.81 -40.05 91.49 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.435 -0.791 . . . . 0.0 110.039 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.0 mtp -70.05 -42.6 72.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.901 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.96 -38.6 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.269 -0.894 . . . . 0.0 109.31 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' CYS . 94.4 m -59.98 -40.03 87.72 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -38.5 33.53 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.01 89.66 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' THR . 61.8 m -61.84 -30.78 71.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.472 -0.767 . . . . 0.0 109.628 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.443 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 53.8 t-80 -59.9 -39.94 87.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.947 -1.096 . . . . 0.0 108.462 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -68.75 -39.91 80.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.857 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -70.09 -43.0 71.98 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.35 71.8 4.45 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.63 109.41 4.87 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.864 0.84 . . . . 0.0 109.318 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.511 ' HD1' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -88.5 9.46 23.66 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' N ' ' HD1' ' A' ' 90' ' ' HIS . 32.1 mp0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.484 -0.76 . . . . 0.0 . -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' B' ' 0' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t 51.78 18.59 0.78 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -75.03 -5.25 43.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 109.585 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -42.44 -25.69 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.728 -0.607 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 2' ' ' GLU . 86.0 tt0 -68.78 -39.85 79.98 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.939 -1.1 . . . . 0.0 109.533 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.459 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.3 mppt? -75.36 -35.5 61.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.48 -0.763 . . . . 0.0 109.904 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -70.02 -43.25 71.72 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 111.885 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.4 mtt -66.15 -40.05 90.27 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.966 -1.084 . . . . 0.0 109.684 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.72 -35.57 73.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.663 -0.648 . . . . 0.0 109.723 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -70.02 -37.1 75.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.615 -0.678 . . . . 0.0 111.438 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.94 -40.04 87.6 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.787 -1.196 . . . . 0.0 107.815 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.01 -40.01 80.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.911 -0.493 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.62 -41.55 99.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.61 -1.306 . . . . 0.0 111.765 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -40.03 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.932 -1.105 . . . . 0.0 110.159 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.582 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 13.0 t80 -59.11 -36.45 75.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.89 -1.131 . . . . 0.0 108.55 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -70.11 -28.43 65.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.182 -0.949 . . . . 0.0 111.062 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -60.04 -41.89 93.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.511 -1.368 . . . . 0.0 110.168 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.03 -39.22 10.27 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.938 -1.101 . . . . 0.0 111.967 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 14' ' ' PHE . 20.2 p -61.33 -40.47 94.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.977 . . . . 0.0 110.398 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.11 -11.78 83.23 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -60.03 -47.93 83.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -1.145 . . . . 0.0 109.094 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -93.57 -3.79 52.09 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.49 -8.69 78.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 26' ' ' LYS . 64.7 m-20 -80.26 67.86 6.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.566 -1.55 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.01 -33.39 71.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -77.32 -29.39 53.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' ASP . 51.9 pttt -136.72 157.89 45.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.171 -0.956 . . . . 0.0 109.454 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 tp -119.99 129.92 54.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 30' ' ' SER . 89.2 mttt -93.27 152.8 18.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.728 -1.233 . . . . 0.0 110.098 -178.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -49.54 -22.46 1.26 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.422 ' N ' ' C ' ' B' ' 28' ' ' LYS . 26.8 t -76.22 -53.3 8.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.318 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.31 -41.85 97.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.866 -0.521 . . . . 0.0 110.166 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.07 -40.04 95.4 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.065 -1.022 . . . . 0.0 110.256 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.01 -38.46 91.15 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.397 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.665 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.6 tt -65.38 -48.56 72.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.058 -1.026 . . . . 0.0 108.925 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 HD12 ' B' ' 40' ' ' LEU . 74.0 mt -73.2 -46.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.46 -0.775 . . . . 0.0 111.213 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 21.7 t-20 -68.94 -39.61 79.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.892 -1.13 . . . . 0.0 112.285 -177.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.682 ' N ' HD22 ' B' ' 38' ' ' ASN . 0.6 OUTLIER -96.95 -35.74 10.77 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.161 -0.962 . . . . 0.0 113.194 -176.55 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.04 -10.01 59.75 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.133 -1.604 . . . . 0.0 109.849 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.54 HD12 HG23 ' B' ' 36' ' ' ILE . 24.5 mt -117.75 54.73 0.89 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -59.96 -42.53 94.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.55 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -131.81 2.05 4.02 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.279 -0.888 . . . . 0.0 110.011 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -50.38 72.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.436 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.4 -161.43 0.8 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.771 -1.206 . . . . 0.0 111.092 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' Y' ' 105' ' ' HIS . 86.0 tt0 -52.28 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.65 0.738 . . . . 0.0 110.681 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.43 153.19 39.49 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.476 HG21 HG23 ' B' ' 53' ' ' VAL . 35.7 mm -82.72 139.02 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.84 -1.163 . . . . 0.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -117.18 -13.43 10.5 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.568 -0.707 . . . . 0.0 109.241 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.79 150.49 46.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.218 -0.926 . . . . 0.0 110.734 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -67.99 -26.57 65.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -60.14 -39.92 88.01 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.569 -0.707 . . . . 0.0 111.659 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.4 -39.7 85.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.772 -1.205 . . . . 0.0 108.966 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.476 HG23 HG21 ' B' ' 47' ' ' ILE . 90.7 t -64.27 -39.99 87.47 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.785 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.04 -40.02 94.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.526 -0.734 . . . . 0.0 109.962 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.18 -33.35 60.42 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.6 mmm -69.97 -30.16 67.44 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.079 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.33 -35.31 67.46 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -80.94 -46.88 14.48 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.591 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.431 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 29.8 mt -88.01 -14.2 39.66 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.881 -1.137 . . . . 0.0 110.7 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.9 t0 -79.73 60.33 3.35 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.452 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 62.1 mt-10 -59.97 -40.02 87.64 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 -178.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -80.59 -5.41 56.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.134 -0.979 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 66.23 33.67 85.82 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.0 -1.095 . . . . 0.0 110.981 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 47.8 p-10 -106.5 1.33 25.38 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.943 -1.328 . . . . 0.0 110.12 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.0 4.28 89.6 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.9 mt-10 -135.19 133.28 38.92 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 123.38 38.64 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.911 -1.118 . . . . 0.0 108.779 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 70' ' ' PHE . 96.0 m-20 -69.36 163.28 25.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 111.211 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.582 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 6.2 t80 -41.4 -42.87 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.16 -43.94 81.01 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.434 -0.792 . . . . 0.0 110.18 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 46.9 mt-10 -63.16 -40.04 96.4 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.462 -0.774 . . . . 0.0 110.949 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.92 -35.66 74.73 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.838 -1.163 . . . . 0.0 109.147 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mmm -60.0 -37.62 80.24 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.272 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.455 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.83 -33.51 73.94 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.781 -1.199 . . . . 0.0 110.738 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.892 -1.13 . . . . 0.0 110.314 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.462 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -63.87 -37.92 81.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.121 0 CA-C-O 121.284 0.564 . . . . 0.0 109.934 -178.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 8.5 p -65.84 -40.08 91.41 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 110.093 -178.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.4 mtp -70.16 -42.39 72.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.85 -38.53 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 84' ' ' CYS . 94.2 m -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -38.64 32.45 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.99 89.45 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' B' ' 81' ' ' THR . 61.2 m -61.8 -30.52 70.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.457 -0.777 . . . . 0.0 109.628 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.47 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 54.0 t-80 -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.939 -1.101 . . . . 0.0 108.451 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -68.75 -40.06 79.98 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 108.789 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.0 -42.85 72.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 108.747 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.45 71.87 4.39 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -70.65 109.28 4.81 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.819 0.819 . . . . 0.0 109.32 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.504 ' HD1' ' N ' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -88.54 9.41 23.97 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.504 ' N ' ' HD1' ' B' ' 90' ' ' HIS . 32.0 mp0 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 . -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' X' ' 93' ' ' HIS . 31.2 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.35 0.595 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.493 ' N ' ' OG ' ' X' ' 92' ' ' SER . 83.1 t60 -96.92 117.36 30.96 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.358 -0.839 . . . . 0.0 109.05 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.41 149.48 40.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.976 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -118.66 132.21 56.17 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 96.6 p -76.64 149.52 36.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.304 -0.873 . . . . 0.0 109.559 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 84.2 tttt 50.03 60.02 4.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.305 -0.872 . . . . 0.0 109.791 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.958 -1.089 . . . . 0.0 109.32 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.13 137.98 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -104.56 133.12 49.96 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.418 -1.048 . . . . 0.0 108.789 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 69.6 m -53.6 -25.05 15.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.987 -1.07 . . . . 0.0 108.119 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 31.4 p -50.25 -28.84 8.35 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -52.56 -32.28 40.13 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.08 -37.1 78.91 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.498 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 77.6 t60 -58.24 -39.08 78.2 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -58.85 -25.39 63.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.94 -29.36 66.48 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.336 -0.852 . . . . 0.0 109.462 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -56.14 -24.48 41.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.256 -1.527 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.08 -45.0 7.86 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.12 -0.987 . . . . 0.0 109.493 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.569 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 24.2 pttt -61.62 -39.57 91.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 71.7 p -68.33 -27.59 66.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.385 -0.822 . . . . 0.0 109.128 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.452 -0.78 . . . . 0.0 . 179.177 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' Y' ' 93' ' ' HIS . 26.7 t . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.532 ' N ' ' OG ' ' Y' ' 92' ' ' SER . 83.8 t60 -96.49 117.06 30.12 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.34 -0.85 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -74.39 148.98 40.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.165 -0.959 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -118.34 132.25 56.28 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.551 -0.718 . . . . 0.0 109.188 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 90.9 p -76.31 149.74 37.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.25 -0.906 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 84.7 tttt 50.03 60.02 4.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.654 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.028 -1.045 . . . . 0.0 109.289 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.05 137.65 2.49 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -104.35 133.44 49.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.358 -1.083 . . . . 0.0 108.92 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 67.8 m -53.6 -25.39 17.31 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.01 -1.056 . . . . 0.0 108.161 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 31.8 p -50.02 -29.11 8.04 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 75.6 m -52.52 -32.06 38.53 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.01 -37.33 79.39 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.45 ' N ' ' OE2' ' B' ' 45' ' ' GLU . 78.3 t60 -58.35 -38.92 78.19 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -58.98 -25.34 63.51 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.98 -29.5 66.62 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.406 -0.809 . . . . 0.0 109.317 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.09 -24.49 40.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.343 -1.473 . . . . 0.0 109.24 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.564 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.09 -44.66 7.68 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.044 -1.035 . . . . 0.0 109.467 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.564 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 24.9 pttt -62.05 -40.0 94.27 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 58.8 p -67.3 -27.88 67.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.828 . . . . 0.0 109.274 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.492 -0.755 . . . . 0.0 . 179.597 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.367 0.603 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.467 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.3 t 62.52 14.04 6.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 109.643 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.15 9.8 2.32 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.98 -39.75 86.76 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.611 -0.68 . . . . 0.0 110.182 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -52.0 -40.01 60.33 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.806 -1.184 . . . . 0.0 110.388 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -69.73 -35.0 74.62 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.192 -0.943 . . . . 0.0 109.387 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.119 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.538 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 28.4 mmm -66.74 -40.01 88.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.71 -34.96 67.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.0 82.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.612 -0.68 . . . . 0.0 111.569 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.567 -1.333 . . . . 0.0 107.822 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.56 -39.67 84.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.854 -0.529 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -65.14 -42.16 94.1 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.639 -1.288 . . . . 0.0 111.977 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -41.36 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.777 -1.202 . . . . 0.0 110.048 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 63.8 t80 -59.14 -39.18 81.59 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.08 -35.6 79.14 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.547 -0.721 . . . . 0.0 111.198 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.84 -39.96 86.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.673 -1.267 . . . . 0.0 111.214 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.41 -26.21 18.13 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 120.498 -1.377 . . . . 0.0 111.713 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.513 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 66.8 m -60.02 -40.0 87.78 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.979 -1.076 . . . . 0.0 109.6 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.26 43.2 2.98 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.519 ' NE ' ' OE1' ' A' ' 34' ' ' GLU . 13.2 mmt180 -79.85 -70.04 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.068 -1.254 . . . . 0.0 110.442 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.23 -13.0 15.24 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.443 -0.786 . . . . 0.0 110.318 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.44 -11.67 2.48 Favored Glycine 0 N--CA 1.497 2.752 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.855 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 26' ' ' LYS . 11.0 m-20 -80.85 72.68 7.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.564 -1.551 . . . . 0.0 108.628 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -69.99 -45.76 66.64 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.513 0.673 . . . . 0.0 110.185 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.19 -1.8 58.23 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.763 . . . . 0.0 110.568 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' ASP . 3.7 ttmp? -139.45 148.34 42.61 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 108.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -119.7 125.5 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' SER . 64.8 tttm -92.99 149.16 21.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.032 -1.042 . . . . 0.0 109.351 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -46.01 -22.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' LYS . 84.3 p -75.58 -48.71 21.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.61 -35.26 79.76 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.03 -42.08 93.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.844 -0.535 . . . . 0.0 110.27 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.15 -39.95 92.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.057 -1.027 . . . . 0.0 109.935 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' OE1' ' NE ' ' A' ' 20' ' ' ARG . 98.9 mt-10 -67.18 -39.03 86.36 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.248 -0.907 . . . . 0.0 110.011 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.653 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.9 tt -63.97 -48.76 75.21 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.741 -1.225 . . . . 0.0 108.946 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -74.22 -44.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.469 -0.769 . . . . 0.0 111.209 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.578 ' C ' HD22 ' A' ' 38' ' ' ASN . 29.0 t-20 -69.03 -38.9 79.44 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.943 -1.098 . . . . 0.0 112.258 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.679 ' N ' HD22 ' A' ' 38' ' ' ASN . 1.5 m120 -98.27 -35.44 10.34 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -176.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 6.8 tp10 -92.33 -20.71 20.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.454 -1.404 . . . . 0.0 110.664 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.76 28.15 8.6 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.567 -0.708 . . . . 0.0 109.457 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 44' ' ' LEU . 5.2 t -69.43 -60.74 2.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.04 -1.037 . . . . 0.0 111.067 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.47 -41.51 55.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 110.625 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.96 -26.29 64.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 0.0 111.091 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 41' ' ' SER . 4.6 tp -139.56 162.61 34.66 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.781 -1.199 . . . . 0.0 108.384 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 53.5 tp10 -60.7 115.05 3.35 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.983 -1.073 . . . . 0.0 109.494 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' CG ' ' ND2' ' A' ' 37' ' ' ASN . 88.1 tt0 -58.67 144.68 42.56 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.539 0.685 . . . . 0.0 109.781 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.408 HG21 HG23 ' A' ' 53' ' ' VAL . 6.0 mm -81.9 140.07 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -105.64 -17.92 14.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.89 . . . . 0.0 110.679 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -138.6 152.45 48.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.178 -0.951 . . . . 0.0 111.238 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.65 -20.47 63.59 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.18 -39.94 95.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.873 . . . . 0.0 110.616 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.81 -40.01 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.893 -1.129 . . . . 0.0 108.651 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG23 HG21 ' A' ' 47' ' ' ILE . 58.4 t -67.6 -35.17 72.15 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.076 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.42 -37.83 86.09 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 109.566 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.78 -40.03 88.01 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' X' ' 105' ' ' HIS . 24.9 t -62.68 -34.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.3 mmm -69.95 -29.44 66.58 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.349 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -56.98 -36.58 70.52 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -78.71 -47.48 16.81 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.348 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 34.6 mt -89.0 -11.76 43.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.958 -1.089 . . . . 0.0 111.033 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -79.28 59.41 2.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -57.91 -39.23 77.43 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -74.93 -9.98 59.05 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.28 -0.888 . . . . 0.0 108.794 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.28 30.08 76.44 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -106.51 2.61 26.36 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.194 -1.18 . . . . 0.0 110.356 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.529 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.02 3.88 89.53 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.81 131.53 35.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.37 130.13 46.43 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -74.39 170.19 16.14 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.025 -1.047 . . . . 0.0 109.724 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.457 ' CE2' HG23 ' B' ' 82' ' ' THR . 3.2 t80 -49.76 -40.0 39.62 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.358 -0.839 . . . . 0.0 108.751 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -62.44 -48.36 80.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.53 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 31.8 mt-10 -60.01 -40.09 88.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.916 -1.115 . . . . 0.0 110.219 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.87 -33.79 76.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 109.321 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.466 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.6 OUTLIER -60.03 -38.53 82.99 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 109.828 -178.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.77 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.833 -1.167 . . . . 0.0 111.584 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 80' ' ' VAL . 92.9 t80 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.814 -1.179 . . . . 0.0 110.99 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -74.13 -32.8 33.5 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -178.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -67.6 -40.65 84.74 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.869 -1.144 . . . . 0.0 109.888 -179.196 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 ptm -72.0 -43.09 65.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.032 -1.043 . . . . 0.0 110.859 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 76' ' ' PHE . 65.1 t -59.98 -38.12 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.524 -1.36 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.516 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 89.0 m -57.29 -37.53 72.56 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' CE2' ' B' ' 70' ' ' PHE . 3.6 m -54.52 -40.48 68.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.44 88.25 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.3 -34.54 68.82 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.45 -0.781 . . . . 0.0 108.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -60.01 -40.43 89.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.062 -1.024 . . . . 0.0 109.025 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.05 -40.76 90.51 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.427 -0.909 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -72.04 -37.56 69.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.0 109.183 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.01 60.85 6.05 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.58 105.76 1.6 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.106 -0.996 . . . . 0.0 109.083 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -60.01 -39.95 87.58 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--N 1.302 -1.475 0 O-C-N 121.799 -0.563 . . . . 0.0 . 179.352 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.447 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 1.3 t 62.31 14.05 6.47 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.284 -0.885 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.29 10.22 2.14 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' B' ' 1' ' ' SER . 6.9 tt -60.0 -39.98 87.65 Favored 'General case' 0 C--O 1.199 -1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.222 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.05 -39.95 60.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.88 -1.138 . . . . 0.0 110.343 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -69.75 -34.79 74.29 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 121.334 -0.854 . . . . 0.0 109.31 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.37 75.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.555 -0.716 . . . . 0.0 112.152 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.516 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 26.1 mmm -66.56 -40.03 88.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.85 -1.156 . . . . 0.0 109.221 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.4 t -68.5 -34.88 67.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.638 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.667 -0.646 . . . . 0.0 111.601 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.596 -1.315 . . . . 0.0 107.758 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.44 -39.51 84.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.822 -0.549 . . . . 0.0 111.359 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.38 -42.25 92.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.69 -1.256 . . . . 0.0 112.028 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -41.7 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 120.819 -1.176 . . . . 0.0 110.042 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.545 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 62.8 t80 -59.02 -39.17 81.08 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.243 -0.91 . . . . 0.0 108.668 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.15 -35.61 79.3 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.529 -0.732 . . . . 0.0 111.124 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -59.82 -40.03 87.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 0.0 111.214 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.3 -26.25 18.21 Favored 'General case' 0 N--CA 1.51 2.575 0 O-C-N 120.566 -1.334 . . . . 0.0 111.612 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 73.6 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.996 -1.065 . . . . 0.0 109.592 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.43 43.36 3.03 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.522 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 13.2 mmt180 -79.93 -69.97 0.55 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.163 -1.198 . . . . 0.0 110.413 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -107.45 -12.68 15.26 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.439 -0.788 . . . . 0.0 110.339 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.18 -11.83 2.55 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.796 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' B' ' 26' ' ' LYS . 11.5 m-20 -80.68 72.57 7.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.558 -1.554 . . . . 0.0 108.704 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -70.01 -45.96 66.13 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.535 0.683 . . . . 0.0 110.177 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -88.93 -2.05 58.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.566 -0.709 . . . . 0.0 110.753 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 23' ' ' ASP . 3.8 ttmp? -139.34 148.64 43.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.065 -1.022 . . . . 0.0 108.91 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -119.86 125.67 49.08 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' B' ' 30' ' ' SER . 64.8 tttm -93.51 149.12 21.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 0.0 109.3 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -45.83 -22.11 0.17 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 85.4 p -75.63 -48.92 20.11 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.09 -41.92 93.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.761 -0.587 . . . . 0.0 110.201 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.992 -1.068 . . . . 0.0 109.946 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.522 ' OE1' ' NE ' ' B' ' 20' ' ' ARG . 98.7 mt-10 -67.32 -38.54 85.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.311 -0.868 . . . . 0.0 110.063 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.663 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.7 tt -64.43 -48.49 75.13 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.782 -1.199 . . . . 0.0 109.0 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -74.39 -44.59 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.494 -0.754 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.575 ' C ' HD22 ' B' ' 38' ' ' ASN . 29.1 t-20 -68.72 -39.3 80.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 112.352 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.687 ' N ' HD22 ' B' ' 38' ' ' ASN . 1.5 m120 -98.27 -35.14 10.44 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.212 -0.93 . . . . 0.0 113.464 -176.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.9 tp10 -92.3 -20.75 20.8 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.495 -1.378 . . . . 0.0 110.664 -177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 35.5 mt -118.21 28.68 8.22 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.603 -0.686 . . . . 0.0 109.357 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' LEU . 5.6 t -69.52 -60.53 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -0.973 . . . . 0.0 110.985 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -75.75 -41.29 53.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.035 -1.041 . . . . 0.0 110.628 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 7.9 t80 -69.96 -26.44 64.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 111.05 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' SER . 4.8 tp -139.47 162.41 35.13 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.854 -1.154 . . . . 0.0 108.33 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.412 ' H ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 tp10 -60.87 115.32 3.6 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.951 -1.093 . . . . 0.0 109.5 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.468 ' CG ' ' ND2' ' B' ' 37' ' ' ASN . 88.5 tt0 -58.66 144.67 42.51 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.406 HG21 HG23 ' B' ' 53' ' ' VAL . 5.5 mm -81.85 140.02 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -105.57 -17.8 14.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.237 -0.914 . . . . 0.0 110.707 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -138.95 152.45 47.71 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.107 -0.996 . . . . 0.0 111.27 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.47 -20.61 63.74 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.13 -40.08 95.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.202 -0.936 . . . . 0.0 110.543 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.72 -39.96 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.93 -1.107 . . . . 0.0 108.64 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.406 HG23 HG21 ' B' ' 47' ' ' ILE . 52.1 t -67.82 -34.91 70.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.034 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -66.04 -38.34 88.14 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.674 0.75 . . . . 0.0 109.612 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.93 -39.98 87.49 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.53 -34.77 66.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.1 mmm -70.07 -29.17 66.1 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.353 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.02 -36.61 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -78.82 -47.36 16.79 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 32.6 mt -88.91 -12.0 42.94 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.982 -1.074 . . . . 0.0 111.057 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -79.32 59.41 2.84 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -57.9 -38.93 76.71 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.09 -10.01 59.07 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.11 30.14 76.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 44.2 p-10 -106.57 2.79 26.37 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.137 -1.214 . . . . 0.0 110.373 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.514 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.95 3.73 89.43 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 29.9 mt-10 -135.8 131.49 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.35 130.1 46.41 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -74.3 170.0 16.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.03 -1.044 . . . . 0.0 109.7 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.46 ' CE2' HG23 ' A' ' 82' ' ' THR . 3.2 t80 -49.74 -40.04 39.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.282 -0.886 . . . . 0.0 108.757 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -62.31 -48.41 79.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.306 -0.871 . . . . 0.0 110.534 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 31.9 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.956 -1.09 . . . . 0.0 110.205 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.89 -33.82 76.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.018 . . . . 0.0 109.354 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.427 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -60.0 -38.4 82.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.15 70.13 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.819 -1.175 . . . . 0.0 111.611 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.446 ' O ' HG23 ' B' ' 80' ' ' VAL . 92.3 t80 -68.7 -29.56 68.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.845 -1.159 . . . . 0.0 111.104 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -74.64 -32.42 29.22 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -67.79 -40.61 83.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.775 -1.203 . . . . 0.0 109.833 -179.281 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.424 ' H ' ' HG2' ' B' ' 79' ' ' MET . 20.2 ptm -71.9 -43.15 65.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.04 -1.038 . . . . 0.0 110.955 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 76' ' ' PHE . 62.9 t -60.03 -37.94 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.533 -1.354 . . . . 0.0 109.391 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.538 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 91.1 m -57.38 -37.9 73.4 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.457 HG23 ' CE2' ' A' ' 70' ' ' PHE . 3.6 m -54.09 -40.38 67.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.3 85.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.127 -0.983 . . . . 0.0 108.656 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.52 -34.68 69.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.122 -0.986 . . . . 0.0 108.905 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.99 -41.29 91.72 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.86 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.9 -37.57 70.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.496 -0.753 . . . . 0.0 109.284 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.09 60.97 6.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.72 105.82 1.67 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.121 -0.987 . . . . 0.0 109.123 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.702 -0.624 . . . . 0.0 . 179.413 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -79.53 70.48 6.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 63.7 mt 48.59 -149.0 0.2 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.335 -0.853 . . . . 0.0 109.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -171.07 90.76 0.14 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.38 -0.825 . . . . 0.0 109.412 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 63.0 m -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.986 . . . . 0.0 108.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.28 142.25 47.2 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.18 131.13 1.2 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -154.58 158.92 40.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -1.171 . . . . 0.0 109.803 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.486 ' O ' ' N ' ' X' ' 104' ' ' ARG . 67.1 m -60.1 -38.32 82.59 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.271 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 15.7 m -45.73 -28.36 1.01 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.003 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 46.6 t -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' X' ' 101' ' ' SER . 0.4 OUTLIER -60.0 -42.81 95.08 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.427 -0.795 . . . . 0.0 109.42 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 56' ' ' VAL . 42.4 t60 -60.09 -37.12 78.99 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.053 -1.029 . . . . 0.0 108.765 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.06 -28.19 67.57 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.426 -0.796 . . . . 0.0 108.863 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -39.97 87.33 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.502 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 6.5 tp -72.87 -27.4 61.89 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.5 0.667 . . . . 0.0 110.081 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.491 ' O ' ' N ' ' X' ' 112' ' ' THR . 21.9 mmt -56.33 -24.51 44.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.367 -1.458 . . . . 0.0 109.811 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' X' ' 109' ' ' MET . 3.4 p90 -42.85 -39.5 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.997 -1.065 . . . . 0.0 109.93 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.502 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 16.3 mtmt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.571 -1.33 . . . . 0.0 108.586 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.491 ' N ' ' O ' ' X' ' 109' ' ' MET . 69.8 p -61.64 -28.44 69.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.609 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.445 -0.785 . . . . 0.0 . 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -79.44 70.1 5.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.831 . . . . 0.0 109.359 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 68.1 mt 49.01 -149.34 0.21 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.3 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -170.89 90.77 0.15 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.389 -0.819 . . . . 0.0 109.413 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.02 -39.96 87.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 109.07 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.53 142.22 46.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.02 -39.97 87.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.141 -0.975 . . . . 0.0 109.936 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.3 130.74 1.16 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -154.09 158.64 40.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.226 -1.161 . . . . 0.0 109.744 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.472 ' O ' ' N ' ' Y' ' 104' ' ' ARG . 56.9 m -59.98 -37.91 81.03 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.445 -0.784 . . . . 0.0 109.24 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 18.2 m -45.91 -28.32 1.09 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.399 -0.813 . . . . 0.0 108.984 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -59.96 -40.02 87.61 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' Y' ' 101' ' ' SER . 0.5 OUTLIER -60.01 -42.81 95.11 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.482 -0.761 . . . . 0.0 109.436 179.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -59.99 -37.2 78.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.125 -0.984 . . . . 0.0 108.717 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.96 -28.28 67.52 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.393 -0.817 . . . . 0.0 108.937 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.04 -39.93 87.65 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.515 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 6.7 tp -72.64 -27.68 62.28 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.484 ' O ' ' N ' ' Y' ' 112' ' ' THR . 23.0 mmt -56.29 -24.43 43.21 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.403 -1.436 . . . . 0.0 109.787 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' Y' ' 109' ' ' MET . 3.4 p90 -42.85 -39.55 2.56 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.99 -1.069 . . . . 0.0 109.922 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.515 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 16.4 mtmt -70.02 -40.5 75.16 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.643 -1.285 . . . . 0.0 108.576 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' Y' ' 109' ' ' MET . 81.8 p -60.12 -29.91 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.69 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 . 179.613 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 63.48 16.74 9.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.302 -0.874 . . . . 0.0 109.617 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.81 7.47 0.36 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.629 0.728 . . . . 0.0 109.248 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -60.08 -33.12 71.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.404 -0.81 . . . . 0.0 111.079 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -59.99 -39.89 87.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.705 -1.247 . . . . 0.0 111.043 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -31.61 58.03 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.734 -1.229 . . . . 0.0 109.807 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.64 73.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 111.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 mtt -65.69 -39.98 91.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.887 -1.133 . . . . 0.0 109.374 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.452 HG13 ' CE2' ' B' ' 88' ' ' PHE . 70.2 t -66.74 -35.19 74.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.83 79.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.558 -1.339 . . . . 0.0 108.08 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.73 -39.36 80.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.757 -0.589 . . . . 0.0 111.053 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.04 -41.11 95.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 111.907 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -73.96 -39.92 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.015 -1.053 . . . . 0.0 110.166 -178.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 81.0 t80 -60.01 -39.38 85.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 109.288 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -68.11 -26.47 65.82 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -59.97 -44.22 94.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.649 -1.282 . . . . 0.0 109.924 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' HH21 ' A' ' 20' ' ' ARG . 77.0 m-85 -91.0 -39.93 11.95 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.021 -1.049 . . . . 0.0 112.09 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 52.6 m -60.95 -39.97 91.54 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.964 -1.085 . . . . 0.0 111.803 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.89 89.6 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 HH22 ' CA ' ' A' ' 31' ' ' GLU . 4.7 ttm180 -59.97 -49.99 75.5 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.745 -0.856 . . . . 0.0 110.572 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -99.91 1.29 42.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.336 -0.852 . . . . 0.0 110.454 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.0 61.95 Favored Glycine 0 N--CA 1.496 2.671 0 O-C-N 121.19 -0.944 . . . . 0.0 110.747 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 15.3 m-20 -82.25 73.76 9.27 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.429 -1.63 . . . . 0.0 107.915 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -68.58 -41.75 79.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.486 -0.759 . . . . 0.0 110.391 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -91.06 -1.38 57.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.333 -0.854 . . . . 0.0 110.438 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 34.1 ttmt -143.49 147.51 34.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.084 -1.01 . . . . 0.0 109.305 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.81 130.42 52.35 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.807 . . . . 0.0 108.881 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 30' ' ' SER . 50.8 mtmt -96.08 153.54 17.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.812 -1.18 . . . . 0.0 110.256 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -49.79 -23.09 1.66 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 48.7 m -73.19 -55.34 6.59 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CA ' HH22 ' A' ' 20' ' ' ARG . 38.9 mt-10 -60.87 -34.23 74.3 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.0 -41.1 91.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.883 -0.511 . . . . 0.0 109.943 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 86.7 tttt -60.12 -39.93 87.96 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.067 -1.021 . . . . 0.0 110.731 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.43 76.81 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 109.155 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLU . 6.0 tt -62.88 -51.16 68.05 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.076 -1.015 . . . . 0.0 109.405 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -70.37 -45.68 74.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 111.168 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 2.6 m-80 -60.83 -39.97 91.05 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.967 -1.083 . . . . 0.0 110.458 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.4 t-20 -100.95 -32.99 10.38 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' LEU . 66.9 tt0 -92.26 -14.63 28.61 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.183 -1.573 . . . . 0.0 109.99 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 HD23 ' B' ' 3' ' ' LEU . 54.5 mt -131.0 49.54 2.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.42 -0.8 . . . . 0.0 109.315 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 95.3 p -77.28 -68.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.19 -0.944 . . . . 0.0 109.866 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.424 ' N ' ' OG ' ' A' ' 41' ' ' SER . 17.9 p-80 -86.77 -11.12 51.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 109.185 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -63.53 -46.54 85.53 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 44' ' ' LEU . 1.4 pp -158.15 -168.02 2.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.747 -1.221 . . . . 0.0 110.5 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' ND1' ' X' ' 105' ' ' HIS . 86.7 tt0 -52.8 98.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.922 0.867 . . . . 0.0 110.391 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.85 153.69 32.41 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.536 HG21 HG23 ' A' ' 53' ' ' VAL . 34.9 mm -77.6 142.26 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 109.894 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -10.68 12.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.656 -0.652 . . . . 0.0 110.002 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.0 tp10 -159.96 157.1 28.26 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.915 -1.116 . . . . 0.0 109.925 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.561 -0.712 . . . . 0.0 110.782 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.6 pt-20 -60.0 -36.74 77.86 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 110.797 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' NE2' ' X' ' 105' ' ' HIS . 60.0 t -62.51 -40.01 86.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 120.942 -1.099 . . . . 0.0 108.8 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.536 HG23 HG21 ' A' ' 47' ' ' ILE . 56.7 t -63.95 -39.45 85.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.827 -0.545 . . . . 0.0 109.558 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.58 -38.05 89.63 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.498 -0.751 . . . . 0.0 109.972 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -66.39 -39.99 89.39 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 t -66.09 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 61' ' ' ASP . 74.9 mmm -71.13 -26.87 63.2 Favored 'General case' 0 C--O 1.2 -1.529 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.647 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.95 -39.94 87.28 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 119.912 -1.742 . . . . 0.0 106.457 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -79.72 -43.27 22.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.34 0.59 . . . . 0.0 111.024 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.2 tp -87.45 -16.07 35.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 110.992 -177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 57' ' ' MET . 59.6 t0 -80.33 61.92 4.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.77 -37.72 74.16 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 80.8 m-20 -73.89 -14.28 61.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 29.97 76.1 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 25.4 p-10 -106.23 3.21 27.54 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -1.164 . . . . 0.0 110.217 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.483 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.71 1.45 89.25 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.776 ' O ' 'CA ' ' A' ' 115' ' ' ' CA' . 87.6 mt-10 -138.43 141.23 39.53 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 12.9 p -108.61 128.82 55.17 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.062 -1.024 . . . . 0.0 109.506 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.45 160.27 32.7 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.354 0.597 . . . . 0.0 110.254 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.1 -39.96 30.23 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -67.36 -39.3 85.69 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.143 -0.973 . . . . 0.0 109.439 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' A' ' 63' ' ' ASP . 46.7 mt-10 -66.71 -42.9 85.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 109.962 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.435 -0.791 . . . . 0.0 110.056 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.2 mmm -59.98 -36.04 76.3 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.381 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.7 72.45 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.006 -1.059 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CZ ' ' NZ ' ' X' ' 111' ' ' LYS . 40.2 t80 -60.0 -40.04 87.86 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.965 -1.084 . . . . 0.0 108.846 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.486 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -62.07 -38.16 80.15 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-O 121.412 0.625 . . . . 0.0 109.404 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -61.61 -39.94 93.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.187 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.96 -42.06 58.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 76' ' ' PHE . 60.1 t -61.41 -39.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.188 -0.945 . . . . 0.0 109.608 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -39.8 87.11 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.6 m -52.42 -40.01 61.64 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' PHE . 35.3 m -59.85 -29.61 68.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.364 -0.835 . . . . 0.0 109.41 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -60.01 -40.42 89.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 41.8 mp0 -64.55 -37.03 86.14 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.141 -0.974 . . . . 0.0 110.043 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -93.25 -22.09 19.22 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.134 -0.979 . . . . 0.0 110.581 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 84' ' ' CYS . 39.7 t80 -87.29 -9.11 55.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 0.0 110.624 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 16.3 pt-20 -79.89 59.43 3.17 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.716 -1.24 . . . . 0.0 109.879 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -60.02 -39.73 86.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.977 -1.077 . . . . 0.0 108.281 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 C--N 1.302 -1.495 0 O-C-N 121.624 -0.672 . . . . 0.0 . -179.841 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.515 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 63.53 16.44 9.62 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -66.76 7.37 0.37 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.518 -0.739 . . . . 0.0 109.229 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.1 tp -59.99 -33.04 71.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 111.207 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.727 -1.233 . . . . 0.0 110.936 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -31.28 58.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.78 -1.2 . . . . 0.0 109.892 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 0.0 111.551 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.445 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 29.8 mtt -66.09 -40.02 90.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.83 -1.169 . . . . 0.0 109.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.441 HG13 ' CE2' ' A' ' 88' ' ' PHE . 62.0 t -66.39 -35.62 75.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.04 81.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.596 -0.69 . . . . 0.0 111.553 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.94 -40.05 87.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.535 -1.353 . . . . 0.0 108.125 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.91 -38.96 79.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.785 -0.572 . . . . 0.0 111.065 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.48 -40.64 93.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.71 -1.244 . . . . 0.0 111.912 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -39.94 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.018 -1.051 . . . . 0.0 110.126 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.503 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 80.8 t80 -59.96 -39.39 85.48 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -0.872 . . . . 0.0 109.259 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.21 -26.34 65.67 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.161 -0.962 . . . . 0.0 110.793 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -60.02 -44.2 94.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.594 -1.316 . . . . 0.0 109.953 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.01 -40.1 11.84 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.923 -1.111 . . . . 0.0 112.014 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 53.2 m -60.74 -40.06 91.02 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.96 -1.088 . . . . 0.0 111.814 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.44 -5.74 89.66 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.415 HH22 ' CA ' ' B' ' 31' ' ' GLU . 5.1 ttm180 -59.92 -50.03 75.37 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.763 -0.845 . . . . 0.0 110.601 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -99.95 1.18 42.45 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.392 -0.818 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -14.01 61.73 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -82.27 73.8 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.414 -1.639 . . . . 0.0 107.843 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -68.57 -41.57 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.449 -0.782 . . . . 0.0 110.391 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -91.29 -1.37 57.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.424 -0.797 . . . . 0.0 110.45 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -143.48 147.47 34.58 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.094 -1.004 . . . . 0.0 109.206 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.9 tp -124.72 130.56 52.64 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.373 -0.83 . . . . 0.0 108.849 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 30' ' ' SER . 51.0 mtmt -96.18 153.46 17.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.766 -1.209 . . . . 0.0 110.367 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -49.74 -23.23 1.69 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 23.3 m -73.44 -54.94 7.07 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.415 ' CA ' HH22 ' B' ' 20' ' ' ARG . 39.0 mt-10 -60.83 -34.31 74.37 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.02 -41.17 91.61 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.94 -0.475 . . . . 0.0 109.849 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.545 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 86.8 tttt -59.97 -39.99 87.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.12 -0.987 . . . . 0.0 110.708 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' B' ' 30' ' ' SER . 20.8 mp0 -68.92 -35.44 76.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.525 -1.359 . . . . 0.0 109.08 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 39' ' ' GLU . 6.1 tt -62.96 -50.67 69.88 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.075 -1.015 . . . . 0.0 109.52 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.89 -45.63 72.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.365 -0.835 . . . . 0.0 110.974 -177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' B' ' 33' ' ' LYS . 2.6 m-80 -60.84 -40.08 91.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.925 -1.109 . . . . 0.0 110.464 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 1.4 t-20 -100.86 -33.02 10.39 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 35' ' ' LEU . 62.6 tt0 -92.16 -14.97 28.27 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.079 -1.638 . . . . 0.0 110.08 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.425 HD21 HD23 ' A' ' 3' ' ' LEU . 61.6 mt -130.69 49.37 2.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.491 -0.756 . . . . 0.0 109.278 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 87.6 p -77.1 -68.42 0.61 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.193 -0.942 . . . . 0.0 109.847 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.421 ' N ' ' OG ' ' B' ' 41' ' ' SER . 17.6 p-80 -86.87 -10.8 52.55 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.233 -0.917 . . . . 0.0 109.207 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -63.91 -46.2 85.9 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.438 ' C ' HD12 ' B' ' 44' ' ' LEU . 1.4 pp -158.31 -168.05 2.36 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.782 -1.199 . . . . 0.0 110.502 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.53 ' OE2' ' ND1' ' Y' ' 105' ' ' HIS . 86.5 tt0 -52.76 98.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.911 0.862 . . . . 0.0 110.383 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -62.81 153.91 31.5 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.537 HG21 HG23 ' B' ' 53' ' ' VAL . 32.4 mm -77.88 142.3 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.866 -1.146 . . . . 0.0 109.83 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -10.52 12.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.724 -0.61 . . . . 0.0 109.995 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.0 tp10 -159.94 156.95 28.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 109.927 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.99 -34.46 73.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.508 -0.745 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -59.99 -36.54 77.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.139 -0.976 . . . . 0.0 110.943 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.624 HG22 ' NE2' ' Y' ' 105' ' ' HIS . 61.8 t -62.74 -39.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 120.925 -1.109 . . . . 0.0 108.784 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.537 HG23 HG21 ' B' ' 47' ' ' ILE . 53.4 t -63.77 -39.6 86.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.479 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.38 -38.0 89.45 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.521 -0.737 . . . . 0.0 109.99 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -66.46 -39.94 89.11 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.17 -32.02 56.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.6 mmm -71.2 -26.82 63.11 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.664 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -59.95 -39.95 87.35 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 119.952 -1.717 . . . . 0.0 106.464 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.0 m -79.69 -43.13 23.28 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.336 0.589 . . . . 0.0 111.068 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -87.68 -15.91 35.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 111.008 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.8 t0 -80.39 62.01 4.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -57.76 -37.97 74.58 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 79.9 m-20 -74.01 -13.7 60.91 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.0 76.36 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 25.2 p-10 -106.27 3.46 27.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.257 -1.143 . . . . 0.0 110.218 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.531 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.37 1.36 88.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 88.4 mt-10 -138.09 141.05 40.25 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.9 p -108.46 128.84 55.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.015 -1.053 . . . . 0.0 109.496 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.54 160.23 32.86 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.349 0.595 . . . . 0.0 110.326 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.06 -40.01 29.78 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.41 -38.99 85.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.103 -0.998 . . . . 0.0 109.485 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD2' ' B' ' 63' ' ' ASP . 46.4 mt-10 -67.07 -42.9 83.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.873 -1.142 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.58 -34.48 78.35 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.432 -0.793 . . . . 0.0 110.06 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.93 -35.93 75.98 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.413 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.85 72.62 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.027 -1.045 . . . . 0.0 110.836 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' NZ ' ' Y' ' 111' ' ' LYS . 40.1 t80 -59.94 -39.96 87.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.962 -1.086 . . . . 0.0 108.831 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.444 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -62.01 -38.34 80.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.481 0.658 . . . . 0.0 109.427 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.8 t -61.63 -40.03 93.42 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.1 mtp -74.94 -41.87 58.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.196 -0.94 . . . . 0.0 110.922 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 76' ' ' PHE . 61.5 t -61.49 -40.0 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.262 -0.899 . . . . 0.0 109.476 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.82 87.09 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.474 ' O ' ' OE1' ' B' ' 86' ' ' GLU . 1.4 m -52.44 -39.93 61.61 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' B' ' 88' ' ' PHE . 35.6 m -59.82 -29.75 68.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.516 -0.74 . . . . 0.0 109.483 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -40.42 89.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.781 -1.199 . . . . 0.0 109.355 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.474 ' OE1' ' O ' ' B' ' 82' ' ' THR . 42.0 mp0 -64.48 -37.22 86.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.23 -0.919 . . . . 0.0 110.013 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.17 -22.02 19.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.099 -1.001 . . . . 0.0 110.628 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' B' ' 84' ' ' CYS . 40.1 t80 -87.37 -8.99 55.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.106 -0.997 . . . . 0.0 110.576 -178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.93 59.31 3.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.709 -1.244 . . . . 0.0 109.904 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -60.0 -39.53 86.07 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.044 -1.035 . . . . 0.0 108.331 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 C--N 1.302 -1.488 0 C-N-CA 120.059 -0.656 . . . . 0.0 . -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -90.37 10.1 26.34 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.296 -0.878 . . . . 0.0 109.832 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.19 132.13 52.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.094 -1.004 . . . . 0.0 109.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -90.02 -79.84 0.33 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 0.0 109.634 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 94.2 p -155.81 176.08 13.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.203 -0.936 . . . . 0.0 109.513 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -69.54 152.86 44.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.34 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.01 -41.66 92.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.261 -0.9 . . . . 0.0 110.333 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.16 -159.69 32.4 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.07 152.83 24.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.353 -1.086 . . . . 0.0 109.96 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.426 ' O ' ' N ' ' X' ' 103' ' ' SER . 63.8 m -57.67 -24.84 58.8 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 71.1 p -43.11 -24.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.737 -0.602 . . . . 0.0 109.777 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.426 ' N ' ' O ' ' X' ' 101' ' ' SER . 47.2 t -51.2 -28.31 11.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 108.914 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -59.99 -40.01 87.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 108.598 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.593 ' NE2' HG22 ' A' ' 52' ' ' VAL . 9.0 m-70 -54.5 -32.7 58.49 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.06 -31.02 69.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -40.02 83.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.876 -1.14 . . . . 0.0 108.257 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' X' ' 111' ' ' LYS . 1.0 OUTLIER -76.68 -24.61 53.2 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.267 -0.895 . . . . 0.0 109.216 178.404 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.83 -24.62 64.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.064 -1.647 . . . . 0.0 109.869 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.4 p90 -45.02 -45.68 10.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.959 -1.088 . . . . 0.0 109.982 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 6.7 pttt -69.95 -34.84 73.96 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.294 -0.879 . . . . 0.0 109.146 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' X' ' 111' ' ' LYS . 94.4 m -61.42 -40.01 92.86 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.313 -0.867 . . . . 0.0 108.722 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 0.0 . 179.423 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -90.07 10.04 25.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 109.78 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.15 132.2 53.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.019 -1.051 . . . . 0.0 109.285 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -90.0 -79.72 0.33 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 109.651 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 95.3 p -155.92 176.13 13.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -69.53 152.84 44.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.889 . . . . 0.0 109.298 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.03 -41.66 92.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.278 -0.889 . . . . 0.0 110.259 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.09 -159.73 32.06 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.89 152.88 24.3 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.323 -1.104 . . . . 0.0 109.974 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.432 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.8 m -57.8 -24.83 59.14 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 74.9 p -43.26 -24.82 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.738 -0.601 . . . . 0.0 109.76 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.432 ' N ' ' O ' ' Y' ' 101' ' ' SER . 47.1 t -51.11 -28.33 10.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.248 -0.907 . . . . 0.0 108.889 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.96 -40.04 87.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' NE2' HG22 ' B' ' 52' ' ' VAL . 8.4 m-70 -54.52 -32.61 58.46 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.004 -1.06 . . . . 0.0 108.173 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.94 -31.29 69.72 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.95 83.08 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.781 -1.168 . . . . 0.0 108.246 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' Y' ' 111' ' ' LYS . 1.0 OUTLIER -76.77 -24.55 52.9 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.281 -0.887 . . . . 0.0 109.215 178.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.1 mmt -59.85 -24.57 64.32 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.079 -1.638 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.4 p90 -45.13 -45.58 11.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.0 109.964 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.568 ' NZ ' ' CZ ' ' B' ' 76' ' ' PHE . 6.5 pttt -69.81 -35.88 75.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.336 -0.853 . . . . 0.0 109.055 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' Y' ' 111' ' ' LYS . 92.9 m -60.12 -40.0 88.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.98 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 . 179.547 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . 0.776 'CA ' ' O ' ' A' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m 55.91 15.77 1.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 109.017 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 5' ' ' LYS . 99.5 mt-10 -73.99 -2.6 24.84 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.461 HD23 HD21 ' B' ' 40' ' ' LEU . 56.5 tp -47.27 -22.27 0.38 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.698 -0.626 . . . . 0.0 109.954 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -70.27 -36.73 74.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.874 -1.141 . . . . 0.0 108.334 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' GLU . 32.6 ttpt -69.82 -39.93 76.19 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.676 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.0 80.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.314 -0.866 . . . . 0.0 111.364 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.469 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 46.0 mtt -65.33 -40.01 93.13 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.859 -1.151 . . . . 0.0 109.888 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.54 -38.83 82.51 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.192 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.16 86.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.875 -0.516 . . . . 0.0 111.438 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -59.93 -39.95 87.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.848 -1.157 . . . . 0.0 108.146 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.03 -39.14 76.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.795 -0.566 . . . . 0.0 110.5 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.53 -44.55 95.95 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.695 -1.253 . . . . 0.0 111.003 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -35.04 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.141 -0.974 . . . . 0.0 109.407 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -58.29 -39.86 80.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.633 -1.292 . . . . 0.0 108.567 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.97 -21.61 63.23 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.317 -0.864 . . . . 0.0 109.178 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.99 -44.64 94.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.257 -0.902 . . . . 0.0 110.427 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -96.09 -36.85 10.85 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.706 -1.246 . . . . 0.0 111.916 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -60.0 -43.33 95.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.737 -1.227 . . . . 0.0 110.538 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -15.19 80.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -61.13 -43.33 99.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.012 -1.287 . . . . 0.0 108.785 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -113.49 157.0 22.55 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 121.597 0.713 . . . . 0.0 109.314 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -51.4 -29.45 23.37 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.543 -0.723 . . . . 0.0 111.687 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 26' ' ' LYS . 88.7 m-20 -71.2 56.71 0.22 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.506 -1.585 . . . . 0.0 109.714 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' GLY . 31.2 ttpt -61.98 -39.23 91.49 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.082 -1.011 . . . . 0.0 110.553 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -78.7 -10.1 59.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.03 -1.044 . . . . 0.0 111.793 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 23' ' ' ASP . 58.1 pttt -146.47 156.61 43.4 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.573 -1.329 . . . . 0.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.13 119.0 38.22 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 30' ' ' SER . 83.7 tttt -90.14 150.63 21.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.751 -1.218 . . . . 0.0 108.371 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.2 pttp -43.66 -23.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.246 -0.909 . . . . 0.0 108.929 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.7 t -75.56 -48.2 23.4 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' LYS . 44.3 mt-10 -66.09 -37.79 86.64 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.93 -40.3 88.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.864 -0.523 . . . . 0.0 109.951 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 110.095 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.62 -36.78 76.46 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.62 -49.96 73.14 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.723 -1.236 . . . . 0.0 108.702 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 36' ' ' ILE . 54.9 mt -71.51 -49.69 45.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 111.085 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.575 ' C ' HD22 ' A' ' 38' ' ' ASN . 27.7 t-20 -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.231 -0.918 . . . . 0.0 111.743 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.651 ' N ' HD22 ' A' ' 38' ' ' ASN . 1.4 m120 -98.84 -34.94 10.28 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.244 -0.91 . . . . 0.0 113.281 -176.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -91.85 -21.66 20.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.352 -1.467 . . . . 0.0 109.563 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD21 HD23 ' B' ' 3' ' ' LEU . 57.6 mt -120.71 36.51 4.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.663 -0.648 . . . . 0.0 109.755 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -67.09 -71.58 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.332 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -80.66 -16.57 53.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.4 OUTLIER -60.04 -45.81 91.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.509 -0.744 . . . . 0.0 109.315 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -161.18 -157.3 0.5 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.587 -1.321 . . . . 0.0 110.565 -179.502 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE2' HD13 ' A' ' 47' ' ' ILE . 7.2 tm-20 -50.6 92.82 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.704 0.764 . . . . 0.0 111.222 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' LEU . 86.0 tt0 -63.32 148.33 48.63 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 HG23 ' A' ' 53' ' ' VAL . 30.5 mm -86.8 137.07 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.745 -1.222 . . . . 0.0 109.806 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.03 -24.47 10.76 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.374 -0.828 . . . . 0.0 108.798 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.9 144.48 51.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.612 -0.68 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -18.95 64.6 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -60.53 -39.93 89.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.044 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' CG1' ' CD2' ' X' ' 105' ' ' HIS . 76.1 t -60.81 -39.98 83.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG23 HG21 ' A' ' 47' ' ' ILE . 51.4 t -62.22 -40.04 86.23 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 46.8 t0 -60.55 -40.02 90.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.564 0.697 . . . . 0.0 109.237 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.12 -40.4 95.76 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.83 -31.36 53.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.6 mmm -69.99 -31.68 69.5 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.768 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.07 -39.84 83.36 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -79.4 -46.3 17.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.898 -0.501 . . . . 0.0 111.091 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.1 mm? -88.91 -12.18 42.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.666 -1.271 . . . . 0.0 111.403 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.3 t0 -80.74 62.53 4.81 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.4 -39.74 80.53 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.126 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.77 -12.15 60.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.379 -0.825 . . . . 0.0 108.86 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.19 32.21 79.73 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 4.0 p30 -105.44 6.41 32.46 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.244 -1.15 . . . . 0.0 109.625 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.03 -1.41 88.81 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 65' ' ' ASP . 1.2 pp20? -140.58 138.33 34.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -97.64 129.68 44.71 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -76.45 168.97 19.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.783 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.45 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 8.1 t80 -51.31 -40.03 58.14 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -59.93 -50.07 75.19 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.255 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.83 -39.95 95.93 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.414 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.82 -32.02 73.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.037 -1.039 . . . . 0.0 109.384 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.45 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -59.98 -37.72 80.48 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -178.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.19 72.0 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.794 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -37.64 80.27 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.135 -0.978 . . . . 0.0 109.635 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.63 -34.89 70.79 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-O 121.422 0.63 . . . . 0.0 109.39 -179.381 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -63.13 -41.33 99.29 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.429 -0.794 . . . . 0.0 110.446 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 40.5 mtm -77.82 -40.42 40.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.911 -1.118 . . . . 0.0 111.298 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.73 -39.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.952 -1.092 . . . . 0.0 109.505 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -59.95 -38.44 82.46 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 74' ' ' MET . 5.5 m -56.17 -39.85 72.99 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.23 85.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 108.764 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 88' ' ' PHE . 38.1 t -60.01 -35.91 76.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.788 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.98 -39.31 85.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.077 . . . . 0.0 109.41 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -39.28 85.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.466 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.55 -24.9 17.79 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.104 -0.997 . . . . 0.0 109.684 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 84' ' ' CYS . 2.5 t80 -92.53 67.96 4.76 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -83.11 98.83 9.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.241 -0.912 . . . . 0.0 108.866 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.04 -39.95 90.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.577 -0.702 . . . . 0.0 110.445 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 . -179.456 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 15.69 2.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.006 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 5' ' ' LYS . 99.6 mt-10 -74.26 -2.68 25.99 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.479 HD23 HD21 ' A' ' 40' ' ' LEU . 55.8 tp -47.07 -22.71 0.38 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.753 -0.592 . . . . 0.0 109.96 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -70.02 -36.55 75.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.836 -1.165 . . . . 0.0 108.324 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 2' ' ' GLU . 33.5 ttpt -69.91 -40.04 75.84 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.184 0.516 . . . . 0.0 109.759 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.03 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 111.316 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.471 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 45.2 mtt -65.33 -40.02 93.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.808 -1.182 . . . . 0.0 109.785 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.45 -38.79 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-O 121.616 0.722 . . . . 0.0 109.325 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.25 86.74 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.871 -0.518 . . . . 0.0 111.388 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.875 -1.141 . . . . 0.0 108.108 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.82 -39.3 77.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.782 -0.574 . . . . 0.0 110.518 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.47 -44.71 95.61 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.727 -1.233 . . . . 0.0 110.996 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -35.17 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.15 -0.969 . . . . 0.0 109.415 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.17 -39.73 79.61 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.634 -1.291 . . . . 0.0 108.557 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -70.02 -21.65 63.18 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.35 -0.844 . . . . 0.0 109.141 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.93 -44.88 94.07 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.278 -0.889 . . . . 0.0 110.349 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -96.01 -36.79 10.91 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 120.827 -1.171 . . . . 0.0 111.93 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.2 p -60.04 -43.42 95.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 110.543 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 -14.64 81.29 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.48 -43.11 99.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.958 -1.319 . . . . 0.0 108.848 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.35 157.23 22.11 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 121.58 0.705 . . . . 0.0 109.306 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -51.45 -29.82 24.72 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.571 -0.706 . . . . 0.0 111.629 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 26' ' ' LYS . 89.4 m-20 -70.99 56.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.485 -1.597 . . . . 0.0 109.799 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' B' ' 22' ' ' GLY . 31.9 ttpt -62.07 -39.15 91.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.188 -0.945 . . . . 0.0 110.511 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -78.59 -10.19 59.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.017 -1.052 . . . . 0.0 111.743 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.8 pttt -146.56 156.58 43.34 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.604 -1.31 . . . . 0.0 110.245 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.06 119.03 38.33 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 30' ' ' SER . 84.1 tttt -90.37 150.47 21.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.807 -1.183 . . . . 0.0 108.386 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -43.55 -23.54 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.265 -0.897 . . . . 0.0 108.913 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 28' ' ' LYS . 41.5 t -75.33 -48.33 23.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.3 mt-10 -66.06 -37.84 86.84 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.96 -40.23 88.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.911 -0.493 . . . . 0.0 109.972 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 110.157 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.69 -36.53 76.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.257 -0.902 . . . . 0.0 109.741 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.7 -50.0 72.84 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.777 -1.202 . . . . 0.0 108.801 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.55 -49.62 45.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 111.086 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.583 ' C ' HD22 ' B' ' 38' ' ' ASN . 27.3 t-20 -60.98 -39.99 91.71 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.197 -0.939 . . . . 0.0 111.721 -177.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.689 ' N ' HD22 ' B' ' 38' ' ' ASN . 1.3 m120 -98.86 -35.05 10.23 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.219 -0.925 . . . . 0.0 113.226 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.76 -21.54 20.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.362 -1.461 . . . . 0.0 109.623 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 3' ' ' LEU . 56.4 mt -120.77 36.59 4.54 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.711 -0.618 . . . . 0.0 109.626 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -67.11 -71.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.155 -0.966 . . . . 0.0 110.308 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -80.57 -16.6 53.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.396 -0.815 . . . . 0.0 109.998 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.469 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -60.03 -45.59 92.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.552 -0.717 . . . . 0.0 109.332 -179.105 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 46' ' ' GLU . 0.5 OUTLIER -161.35 -157.22 0.49 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.556 -1.34 . . . . 0.0 110.566 -179.561 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.458 ' OE2' HD13 ' B' ' 47' ' ' ILE . 7.2 tm-20 -50.85 93.05 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.196 -178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 44' ' ' LEU . 86.1 tt0 -63.3 148.35 48.53 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.562 HG21 HG23 ' B' ' 53' ' ' VAL . 30.1 mm -86.87 136.95 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.74 -1.225 . . . . 0.0 109.754 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -110.05 -24.4 10.78 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.87 144.4 51.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.59 -0.694 . . . . 0.0 109.343 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -19.07 64.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -60.41 -39.9 89.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.526 -0.734 . . . . 0.0 109.981 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.83 -40.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.562 HG23 HG21 ' B' ' 47' ' ' ILE . 48.8 t -62.17 -40.06 86.23 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 47.4 t0 -60.52 -40.02 89.94 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.546 0.688 . . . . 0.0 109.207 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.03 -40.53 96.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -66.76 -31.29 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.567 ' O ' ' N ' ' B' ' 61' ' ' ASP . 81.5 mmm -70.03 -31.57 69.27 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.722 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -59.05 -39.82 83.19 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 119.927 -1.733 . . . . 0.0 106.41 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.3 m -79.56 -46.34 17.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.887 -0.508 . . . . 0.0 111.056 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -88.89 -11.93 43.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.669 -1.269 . . . . 0.0 111.356 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.97 62.51 4.98 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.147 -1.798 . . . . 0.0 106.147 177.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.37 -39.59 80.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.119 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.86 -12.35 60.15 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 108.813 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.26 32.37 80.47 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 4.0 p30 -105.64 6.31 31.92 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.237 -1.155 . . . . 0.0 109.585 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.24 -1.88 88.35 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.406 ' OE1' ' C ' ' B' ' 67' ' ' GLU . 1.2 pp20? -140.14 138.61 35.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -1.044 . . . . 0.0 109.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -97.72 129.86 44.73 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.57 168.89 19.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.137 -0.977 . . . . 0.0 110.772 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.453 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 8.0 t80 -51.31 -39.78 57.64 Favored 'General case' 0 C--O 1.204 -1.34 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -60.03 -50.02 75.37 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.624 -0.672 . . . . 0.0 109.291 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 110.396 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -65.94 -31.74 72.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.073 -1.017 . . . . 0.0 109.457 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -60.03 -37.73 80.64 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.472 -0.767 . . . . 0.0 109.21 -178.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -33.04 71.58 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.1 -37.68 80.68 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.088 -1.007 . . . . 0.0 109.573 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.433 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -67.67 -34.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-O 121.466 0.651 . . . . 0.0 109.491 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.03 -41.28 99.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.448 -0.782 . . . . 0.0 110.378 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtm -77.91 -40.54 39.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.885 -1.134 . . . . 0.0 111.45 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.63 -39.82 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.903 -1.123 . . . . 0.0 109.391 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -60.07 -38.19 82.13 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -56.23 -39.76 73.02 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.29 85.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 108.844 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' B' ' 88' ' ' PHE . 38.4 t -59.92 -35.93 75.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.569 -0.707 . . . . 0.0 109.71 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.37 85.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.96 -1.088 . . . . 0.0 109.443 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -39.33 85.49 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -93.41 -24.99 17.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' B' ' 84' ' ' CYS . 2.4 t80 -92.53 67.98 4.76 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -82.99 98.86 9.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.912 . . . . 0.0 108.833 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -66.12 -39.98 90.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.549 -0.719 . . . . 0.0 110.407 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 . -179.529 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -141.78 159.96 41.16 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.304 -0.872 . . . . 0.0 109.472 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.599 ' O ' HD12 ' X' ' 94' ' ' LEU . 0.3 OUTLIER -153.38 151.79 30.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 0.0 109.561 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' X' ' 95' ' ' LYS . 40.8 pttt -79.17 -38.69 35.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.454 -0.779 . . . . 0.0 109.357 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 53.6 p 45.18 54.41 7.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.387 -0.821 . . . . 0.0 109.968 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.39 121.23 16.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -161.73 161.65 29.38 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.71 139.19 17.65 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -119.86 146.5 45.68 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.413 -1.051 . . . . 0.0 110.305 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' X' ' 103' ' ' SER . 45.0 m -58.89 -24.82 62.74 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.401 ' C ' ' O ' ' X' ' 101' ' ' SER . 18.0 p -42.65 -24.79 0.07 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.452 ' N ' ' O ' ' X' ' 101' ' ' SER . 57.9 m -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' X' ' 101' ' ' SER . 10.8 mpt_? -65.25 -37.65 87.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.828 -1.17 . . . . 0.0 108.015 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.428 ' CD2' ' CG1' ' A' ' 52' ' ' VAL . 7.0 t-80 -58.18 -34.44 70.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -59.94 -30.31 68.98 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.04 -39.94 87.67 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.928 . . . . 0.0 108.76 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.99 -36.19 74.98 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.346 -0.846 . . . . 0.0 109.01 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 16.9 mmt -50.0 -24.38 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.828 -1.17 . . . . 0.0 109.563 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.9 p90 -46.77 -44.14 18.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.946 -1.096 . . . . 0.0 109.29 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 11.3 pttt -67.43 -34.52 77.4 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' X' ' 111' ' ' LYS . 59.3 p -65.28 -33.37 75.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.218 -0.926 . . . . 0.0 108.929 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.718 . . . . 0.0 . 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.165 0.507 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -141.81 159.98 41.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.604 ' O ' HD12 ' Y' ' 94' ' ' LEU . 0.3 OUTLIER -153.37 151.84 30.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 109.627 179.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' Y' ' 95' ' ' LYS . 40.7 pttt -79.43 -38.62 34.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.433 -0.792 . . . . 0.0 109.338 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 53.5 p 45.11 54.82 6.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.326 -0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -69.5 121.59 17.33 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -162.18 161.62 28.05 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.45 139.03 16.43 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -119.85 146.3 45.86 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.422 -1.046 . . . . 0.0 110.273 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.438 ' O ' ' N ' ' Y' ' 103' ' ' SER . 49.6 m -58.78 -24.81 62.35 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 19.1 p -42.81 -24.75 0.07 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.777 -0.577 . . . . 0.0 109.478 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.438 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.1 m -60.0 -40.01 87.71 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' Y' ' 101' ' ' SER . 10.8 mpt_? -65.3 -37.56 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.852 -1.155 . . . . 0.0 108.044 178.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.18 -34.46 70.35 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.168 -0.957 . . . . 0.0 108.744 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.69 -36.52 76.05 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.389 -0.819 . . . . 0.0 108.999 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 16.7 mmt -49.78 -24.43 2.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.838 -1.164 . . . . 0.0 109.682 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.528 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.9 p90 -46.63 -44.47 18.36 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.977 -1.077 . . . . 0.0 109.222 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.528 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 12.0 pttt -66.91 -35.81 80.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.335 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 73.1 p -63.65 -33.54 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.261 -0.9 . . . . 0.0 109.248 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.57 -0.706 . . . . 0.0 . 179.663 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.495 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 5.5 t 60.13 19.43 8.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.329 -0.857 . . . . 0.0 110.126 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.95 3.03 13.08 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -58.93 -24.79 62.85 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.879 -0.513 . . . . 0.0 109.877 -179.168 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.68 -40.07 94.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.627 -1.296 . . . . 0.0 109.221 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -68.79 -36.27 78.06 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.5 -0.75 . . . . 0.0 109.279 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.32 -40.0 89.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.463 -0.773 . . . . 0.0 110.759 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.6 mtt -64.82 -40.17 94.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 109.407 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.7 -38.26 81.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.489 0.661 . . . . 0.0 109.245 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.68 94.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.761 -0.587 . . . . 0.0 111.376 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.651 -1.28 . . . . 0.0 108.3 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.53 -39.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.481 -0.762 . . . . 0.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -66.61 -40.39 88.8 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.809 -1.182 . . . . 0.0 111.753 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -39.73 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.93 -1.106 . . . . 0.0 109.558 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.97 -39.94 87.36 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 109.379 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -69.55 -22.21 63.57 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.276 -0.89 . . . . 0.0 109.773 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.717 -1.24 . . . . 0.0 109.832 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -93.19 -37.67 11.97 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 120.784 -1.197 . . . . 0.0 112.043 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -59.88 -39.96 87.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.141 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 -12.91 83.94 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.02 -1.282 . . . . 0.0 108.522 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -113.87 161.04 18.1 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.15 -14.48 0.85 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 120.444 -0.884 . . . . 0.0 110.949 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -74.55 62.91 1.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.754 -1.439 . . . . 0.0 109.488 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.98 -39.97 75.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.412 -0.805 . . . . 0.0 111.386 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -93.05 -0.02 57.22 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.973 -1.08 . . . . 0.0 110.701 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -146.95 170.27 17.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.894 -1.129 . . . . 0.0 109.24 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -134.62 129.46 34.95 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.7 tttp -96.22 146.98 24.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.714 -1.241 . . . . 0.0 109.894 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 52.8 pttt -42.04 -23.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.497 -0.752 . . . . 0.0 109.57 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 m -74.53 -50.16 19.16 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.26 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.46 -35.37 80.7 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.02 -42.95 95.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.797 -0.564 . . . . 0.0 109.636 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 87.1 tttt -60.21 -40.14 89.09 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.147 -0.971 . . . . 0.0 110.756 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 99.9 mt-10 -69.92 -30.71 68.18 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.964 -1.085 . . . . 0.0 109.088 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.693 HD23 ' C ' ' A' ' 35' ' ' LEU . 6.6 tt -69.89 -42.6 73.22 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.248 -0.907 . . . . 0.0 109.454 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -73.77 -49.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.365 -0.834 . . . . 0.0 112.373 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.56 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 25.4 p30 -84.75 -24.45 28.81 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.321 -1.487 . . . . 0.0 112.888 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.56 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 1.2 m120 -94.99 -35.71 11.86 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.56 -1.338 . . . . 0.0 110.991 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' B' ' 1' ' ' SER . 7.1 tp10 -88.86 -17.23 30.1 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.611 -1.306 . . . . 0.0 109.386 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.13 37.6 4.03 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -59.9 -50.25 74.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 110.862 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.35 -32.11 11.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.05 -1.031 . . . . 0.0 110.659 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.6 t80 -66.94 -34.7 78.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 110.73 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tp -134.81 159.99 39.61 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.5 111.33 1.36 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.109 -0.995 . . . . 0.0 108.591 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.54 155.43 33.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.458 -0.776 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.623 HD13 HH12 ' X' ' 104' ' ' ARG . 30.9 mm -79.8 140.05 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.99 -1.069 . . . . 0.0 108.714 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -20.68 13.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.506 -0.746 . . . . 0.0 110.048 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.4 tp10 -139.78 139.46 36.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.308 -0.87 . . . . 0.0 108.67 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 51' ' ' GLU . 2.8 pp0? -65.2 -22.58 66.91 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.164 -0.96 . . . . 0.0 111.066 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.614 ' N ' ' NE2' ' A' ' 50' ' ' GLN . 18.4 pt-20 -59.98 -38.91 83.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.677 -1.264 . . . . 0.0 109.427 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.15 -40.04 82.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.609 HG23 HG21 ' A' ' 47' ' ' ILE . 64.6 t -60.44 -40.0 82.84 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.28 -39.39 90.21 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 t -68.29 -31.19 50.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.9 mmm -69.88 -30.12 67.49 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.223 -0.991 . . . . 0.0 109.377 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.28 -40.04 84.84 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -84.11 -40.02 18.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.753 -0.592 . . . . 0.0 111.434 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 76' ' ' PHE . 58.5 tp -86.83 -19.0 29.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.106 -0.996 . . . . 0.0 110.129 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' MET . 52.4 t0 -80.69 66.29 6.15 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.43 -39.48 76.31 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.195 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -75.95 -15.95 60.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.265 -0.897 . . . . 0.0 108.621 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.63 31.86 77.17 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 32.9 p-10 -105.85 7.26 32.2 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.209 -1.171 . . . . 0.0 109.827 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.9 2.19 88.23 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 57.8 mt-10 -139.48 137.55 35.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.636 -0.92 . . . . 0.0 109.276 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 9.5 p -99.66 130.43 45.88 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.15 -0.969 . . . . 0.0 109.031 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 9.1 t70 -74.78 171.3 14.2 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.4 t80 -56.79 -39.94 75.0 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.034 -1.041 . . . . 0.0 109.371 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.13 -39.8 86.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.829 -1.169 . . . . 0.0 109.824 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' HD11 ' A' ' 60' ' ' LEU . 41.4 mt-10 -64.03 -42.55 97.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.919 -1.113 . . . . 0.0 110.145 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.97 -36.31 83.08 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.402 -0.811 . . . . 0.0 109.703 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.1 mmm -60.03 -37.76 80.73 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.788 -0.57 . . . . 0.0 110.517 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.12 72.77 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.792 -1.193 . . . . 0.0 111.233 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' HB2' HD13 ' A' ' 60' ' ' LEU . 59.9 t80 -62.12 -38.78 90.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.002 -1.061 . . . . 0.0 109.773 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.2 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 121.556 0.693 . . . . 0.0 110.074 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -63.99 -40.19 95.81 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.076 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.4 mtm -74.37 -40.65 61.96 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.951 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.46 -39.76 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.063 -1.023 . . . . 0.0 108.976 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -59.98 -39.94 87.4 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -53.14 -37.38 61.78 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.8 90.92 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' PHE . 19.4 t -59.99 -37.99 81.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 110.168 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.87 -40.87 90.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.824 -1.173 . . . . 0.0 108.238 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -80.61 -23.79 39.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.613 -0.679 . . . . 0.0 110.455 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -93.82 19.56 8.71 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 122.318 1.056 . . . . 0.0 108.231 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -92.39 -115.15 0.09 Allowed 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -71.8 -40.18 69.34 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 N--CA 1.49 1.529 0 CA-C-N 116.109 -0.496 . . . . 0.0 . 179.024 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.519 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 5.2 t 59.96 19.26 8.32 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.277 -0.889 . . . . 0.0 110.269 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -76.75 2.95 12.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.912 0.863 . . . . 0.0 109.043 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.671 ' C ' HD23 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -58.92 -24.53 62.51 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.937 -179.137 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.17 -40.0 93.71 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.638 -1.289 . . . . 0.0 109.05 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -68.72 -36.19 78.1 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.556 -0.715 . . . . 0.0 109.293 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.98 89.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.9 mtt -64.67 -39.94 94.54 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.389 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.25 -38.08 81.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.823 -0.548 . . . . 0.0 111.415 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.98 -40.03 87.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.514 -1.366 . . . . 0.0 108.286 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -67.77 -39.26 81.67 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 121.493 -0.755 . . . . 0.0 110.39 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.24 -40.58 90.33 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.716 -1.24 . . . . 0.0 111.92 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -39.69 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.976 -1.077 . . . . 0.0 109.578 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -39.89 87.26 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.312 -0.868 . . . . 0.0 109.301 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -69.6 -22.25 63.52 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.824 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.776 -1.203 . . . . 0.0 109.82 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -93.24 -37.5 12.03 Favored 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.818 -1.176 . . . . 0.0 112.146 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.2 t -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.844 -1.16 . . . . 0.0 110.017 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.68 -13.01 83.92 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.475 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 67.3 ttt180 -60.1 -45.14 93.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.239 . . . . 0.0 108.594 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.8 161.13 17.94 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.74 -15.01 0.79 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -74.43 63.1 1.04 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.644 -1.503 . . . . 0.0 109.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -70.12 -40.07 75.09 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.389 -0.819 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -92.86 -0.02 57.32 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.94 -1.1 . . . . 0.0 110.766 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.1 170.12 17.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.976 -1.077 . . . . 0.0 109.237 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.29 129.25 35.3 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' SER . 60.7 tttp -96.14 146.86 24.31 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.714 -1.241 . . . . 0.0 109.772 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 52.6 pttt -41.93 -23.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.671 0.748 . . . . 0.0 109.48 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 28' ' ' LYS . 50.6 m -74.55 -50.15 19.15 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.273 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.84 -34.89 79.19 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.97 -42.98 95.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.657 -0.652 . . . . 0.0 109.49 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 87.6 tttt -60.21 -40.02 88.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.271 -0.893 . . . . 0.0 110.711 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.475 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 99.7 mt-10 -70.02 -30.71 68.07 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.941 -1.1 . . . . 0.0 109.123 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.702 HD23 ' C ' ' B' ' 35' ' ' LEU . 6.6 tt -69.99 -42.43 73.09 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 121.214 -0.929 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.98 -49.05 35.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.344 -0.847 . . . . 0.0 112.31 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.562 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 25.4 p30 -84.78 -24.5 28.71 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.28 -1.513 . . . . 0.0 112.843 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.562 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m120 -94.91 -35.86 11.85 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.537 -1.352 . . . . 0.0 111.018 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 1' ' ' SER . 6.8 tp10 -88.68 -17.6 29.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -128.72 37.75 4.05 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -60.08 -50.2 74.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.794 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -99.37 -32.09 11.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.618 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.7 t80 -66.96 -34.64 78.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.113 -0.992 . . . . 0.0 110.768 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.82 159.97 39.69 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.069 -1.019 . . . . 0.0 109.066 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.243 -0.91 . . . . 0.0 108.586 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.37 155.37 32.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.515 -0.74 . . . . 0.0 109.392 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.615 HG21 HG23 ' B' ' 53' ' ' VAL . 30.9 mm -79.78 140.02 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 O-C-N 120.955 -1.091 . . . . 0.0 108.761 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -20.33 13.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.027 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.1 tp10 -139.94 139.35 36.13 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.181 -0.949 . . . . 0.0 108.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' B' ' 51' ' ' GLU . 2.7 pp0? -65.32 -22.28 66.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.108 -0.995 . . . . 0.0 111.126 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.622 ' N ' ' NE2' ' B' ' 50' ' ' GLN . 18.7 pt-20 -60.17 -38.93 84.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.647 -1.283 . . . . 0.0 109.24 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.07 -39.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.615 HG23 HG21 ' B' ' 47' ' ' ILE . 75.5 t -60.5 -39.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.12 -39.57 90.51 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -60.68 -41.01 94.23 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 t -68.21 -31.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.517 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.9 mmm -70.01 -30.28 67.55 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.323 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.09 -39.97 83.83 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.078 -1.639 . . . . 0.0 106.655 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -84.21 -39.97 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.793 -0.567 . . . . 0.0 111.419 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' B' ' 76' ' ' PHE . 57.0 tp -86.88 -18.98 29.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.116 -0.99 . . . . 0.0 110.139 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' B' ' 57' ' ' MET . 52.5 t0 -80.83 66.44 6.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -57.7 -39.29 76.85 Favored 'General case' 0 C--N 1.288 -2.076 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.098 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -75.43 -16.83 60.3 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.12 31.65 75.26 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 33.1 p-10 -105.83 7.46 32.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.157 -1.202 . . . . 0.0 109.763 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.63 2.49 88.12 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 56.3 mt-10 -139.5 137.77 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.596 -0.943 . . . . 0.0 109.211 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 9.1 p -99.85 130.39 46.04 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.239 -0.913 . . . . 0.0 109.002 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 9.1 t70 -74.72 171.11 14.51 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.4 t80 -56.57 -40.03 74.49 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.094 -1.004 . . . . 0.0 109.22 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -67.3 -39.63 85.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.439 ' O ' HD11 ' B' ' 60' ' ' LEU . 40.8 mt-10 -64.07 -42.9 96.81 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.992 -1.068 . . . . 0.0 110.19 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.69 -36.44 82.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.472 -0.768 . . . . 0.0 109.758 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.95 -37.5 79.72 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.338 0.589 . . . . 0.0 110.486 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.781 -1.199 . . . . 0.0 111.075 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.47 ' HB2' HD13 ' B' ' 60' ' ' LEU . 60.0 t80 -62.11 -38.59 89.47 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.991 -1.068 . . . . 0.0 109.635 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.458 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.29 -39.85 82.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-O 121.547 0.689 . . . . 0.0 110.14 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -64.35 -40.03 95.06 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.947 -0.701 . . . . 0.0 111.133 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.0 mtm -74.52 -40.49 61.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.802 -1.159 . . . . 0.0 110.83 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.32 -39.91 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.131 -0.98 . . . . 0.0 109.098 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -39.95 87.49 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -53.08 -37.54 61.75 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.49 92.48 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' B' ' 88' ' ' PHE . 31.9 t -59.89 -37.45 79.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 110.22 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.0 -40.84 90.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.672 -1.268 . . . . 0.0 108.27 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.51 -39.47 91.1 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -80.75 -23.76 39.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER -93.89 19.42 8.97 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.366 1.079 . . . . 0.0 108.219 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -92.32 -115.07 0.09 Allowed 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -71.92 -39.95 69.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-N 116.133 -0.485 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.33 0.586 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -77.12 160.49 28.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.575 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.687 ' N ' HD22 ' X' ' 94' ' ' LEU . 2.8 mm? -79.55 155.39 28.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.201 -0.937 . . . . 0.0 109.565 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -97.55 95.01 7.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.198 -0.938 . . . . 0.0 109.504 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 85.6 p -72.04 -40.03 68.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 0.0 109.805 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -132.62 120.01 21.22 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.495 -0.753 . . . . 0.0 109.632 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -113.29 8.88 18.21 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.313 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.52 53.54 0.89 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.04 159.99 25.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -1.169 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.528 ' O ' ' N ' ' X' ' 103' ' ' SER . 84.7 p -49.95 -25.67 3.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.334 -0.853 . . . . 0.0 109.192 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.411 ' C ' ' O ' ' X' ' 101' ' ' SER . 13.8 t -40.29 -24.45 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.459 0.647 . . . . 0.0 109.669 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 101' ' ' SER . 64.3 m -52.86 -32.88 47.17 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.393 -0.817 . . . . 0.0 109.081 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.727 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -60.04 -40.44 89.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.214 -0.929 . . . . 0.0 109.182 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.727 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 48.9 t-80 -61.53 -39.99 93.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.06 -1.025 . . . . 0.0 109.102 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.04 -30.34 69.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 109.5 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -59.81 -40.06 87.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.149 -0.97 . . . . 0.0 108.404 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 tp -73.85 -26.79 60.75 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.337 -0.852 . . . . 0.0 109.686 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.606 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -58.35 -24.41 59.68 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.395 -1.441 . . . . 0.0 110.274 -179.529 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 4.0 p90 -40.66 -41.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.085 -1.01 . . . . 0.0 109.177 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 19.3 pttt -69.97 -36.69 75.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.805 -0.559 . . . . 0.0 109.542 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.504 ' N ' ' O ' ' X' ' 109' ' ' MET . 37.6 p -63.11 -29.03 70.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.309 -0.869 . . . . 0.0 109.335 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 . 179.731 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.324 0.583 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -77.19 160.65 28.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 0.0 109.509 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.685 HD22 ' N ' ' Y' ' 94' ' ' LEU . 2.9 mm? -79.74 155.4 27.98 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.212 -0.93 . . . . 0.0 109.603 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -97.51 94.95 7.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.51 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 83.0 p -72.26 -40.05 67.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.928 . . . . 0.0 109.809 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -132.44 120.05 21.45 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.422 -0.799 . . . . 0.0 109.609 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -113.42 8.93 18.05 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.61 -0.681 . . . . 0.0 109.33 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.66 53.85 0.93 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.02 160.04 26.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.255 -1.144 . . . . 0.0 109.327 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.523 ' O ' ' N ' ' Y' ' 103' ' ' SER . 87.7 p -50.03 -25.76 3.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.261 -0.899 . . . . 0.0 109.115 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.42 ' C ' ' O ' ' Y' ' 101' ' ' SER . 13.6 t -40.19 -24.51 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.405 0.622 . . . . 0.0 109.688 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 101' ' ' SER . 60.2 m -52.86 -32.72 46.3 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.356 -0.84 . . . . 0.0 109.022 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.715 ' HE ' ' N ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.1 -40.56 90.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.224 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.715 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 48.0 t-80 -61.5 -40.11 93.4 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.94 -30.25 68.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.96 -40.06 87.76 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.104 -0.998 . . . . 0.0 108.438 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.414 HD21 ' HZ3' ' Y' ' 111' ' ' LYS . 3.2 tp -73.8 -27.04 60.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.344 -0.848 . . . . 0.0 109.753 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -58.1 -24.38 58.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.387 -1.445 . . . . 0.0 110.183 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.512 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 4.1 p90 -40.71 -41.49 1.54 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.168 -0.957 . . . . 0.0 109.19 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 19.3 pttt -70.06 -37.58 75.55 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.793 -0.567 . . . . 0.0 109.501 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.503 ' N ' ' O ' ' Y' ' 109' ' ' MET . 38.3 p -61.44 -30.02 70.32 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.257 -0.902 . . . . 0.0 109.561 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 . -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.2 t 62.13 11.29 4.26 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.338 -0.851 . . . . 0.0 110.355 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.54 24.45 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.047 . . . . 0.0 108.872 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 1' ' ' SER . 54.4 tp -60.03 -31.88 70.38 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -64.8 -37.36 87.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.657 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.04 -40.04 95.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.98 -40.0 83.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.7 mtt -61.72 -39.97 93.42 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.317 -0.865 . . . . 0.0 109.896 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.86 -40.01 86.36 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.0 96.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.7 -0.625 . . . . 0.0 111.691 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.07 -39.94 87.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.751 -1.218 . . . . 0.0 107.939 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.52 -40.02 85.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 O-C-N 121.829 -0.545 . . . . 0.0 110.775 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 41.1 t0 -60.39 -47.65 85.16 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.756 -1.215 . . . . 0.0 111.42 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -39.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.259 -0.9 . . . . 0.0 110.78 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.213 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -68.45 -24.67 64.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.109 -0.994 . . . . 0.0 110.451 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.92 -41.6 96.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.632 -1.293 . . . . 0.0 110.133 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.57 -38.9 11.65 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.895 -1.128 . . . . 0.0 111.919 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 p -60.48 -40.15 90.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 110.356 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.97 -12.33 81.3 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.97 -46.92 87.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -1.178 . . . . 0.0 109.114 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -87.21 -76.0 0.38 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 109.722 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.78 -27.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.605 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.19 7.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.727 -1.455 . . . . 0.0 109.396 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.0 -39.93 75.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.018 -1.052 . . . . 0.0 110.208 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.1 -20.0 46.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.295 -0.878 . . . . 0.0 110.947 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' ASP . 41.8 tttt -131.62 154.45 48.88 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.179 -0.951 . . . . 0.0 109.949 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 tp -125.72 139.3 53.65 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.462 -0.773 . . . . 0.0 109.274 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' SER . 31.6 ttpt -108.59 148.6 30.08 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -43.45 -24.12 0.09 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.877 . . . . 0.0 109.979 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.463 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 20.8 t -73.69 -51.66 15.91 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.033 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.01 -39.41 94.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.0 -40.26 88.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.23 -39.99 88.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 109.612 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.93 -39.45 93.53 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 0.0 109.152 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.697 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.0 tt -61.01 -49.93 75.44 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.014 -1.054 . . . . 0.0 108.994 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.55 -48.31 53.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.406 -0.809 . . . . 0.0 111.344 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.3 t-20 -64.22 -40.5 96.17 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.136 -0.977 . . . . 0.0 112.678 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 37' ' ' ASN . 5.2 m120 -99.07 -34.62 10.32 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.199 -0.938 . . . . 0.0 113.0 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.831 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 tt0 -80.07 -9.27 59.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.387 -1.446 . . . . 0.0 109.938 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 39' ' ' GLU . 7.2 mt -141.6 50.31 1.58 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.06 -42.73 95.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.284 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -119.63 -26.12 5.8 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.242 -0.911 . . . . 0.0 110.132 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -61.67 -40.01 93.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.136 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -131.83 160.07 36.7 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.641 -1.223 . . . . 0.0 108.963 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.63 147.23 49.97 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -87.2 135.59 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.868 -1.145 . . . . 0.0 108.551 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -107.05 -17.43 14.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.466 -0.771 . . . . 0.0 110.123 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 45.3 tp10 -140.11 142.43 36.05 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -61.0 -26.84 67.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.651 -0.656 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 16.2 pt-20 -60.01 -37.23 79.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.92 -1.113 . . . . 0.0 110.222 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.05 -40.01 82.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.896 -1.128 . . . . 0.0 108.1 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.64 -37.77 80.51 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.03 -39.67 90.68 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.037 0.923 . . . . 0.0 109.671 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -66.81 -40.01 87.9 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.13 -28.77 44.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.566 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.48 -35.69 79.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -54.57 -37.91 66.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 106.942 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -80.66 -48.26 12.88 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.879 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 26.7 mt -89.35 -13.77 37.13 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.866 -1.146 . . . . 0.0 111.121 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 57' ' ' MET . 46.7 t0 -80.93 60.84 4.31 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.21 -40.04 84.57 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -74.82 -11.09 60.06 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.77 31.19 74.76 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.1 p-10 -107.67 6.65 27.95 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -1.144 . . . . 0.0 110.166 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 77.69 9.0 87.17 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -140.01 138.43 35.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.854 -0.792 . . . . 0.0 108.936 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 130.54 56.03 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.52 160.04 33.19 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.611 -0.681 . . . . 0.0 109.202 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.428 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.2 t80 -47.69 -36.67 11.58 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.05 -49.35 78.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.513 0.673 . . . . 0.0 109.853 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 41.0 mt-10 -60.01 -39.95 87.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 110.629 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.38 -31.6 71.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.407 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.428 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -60.04 -36.44 77.29 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.81 . . . . 0.0 109.413 -178.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.8 t80 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.865 -1.147 . . . . 0.0 109.588 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.22 -36.56 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 CA-C-O 121.588 0.708 . . . . 0.0 109.411 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -61.77 -41.76 98.12 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.644 -0.66 . . . . 0.0 110.625 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.1 mtm -75.42 -41.67 55.46 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.489 -1.284 . . . . 0.0 111.427 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 76' ' ' PHE . 23.3 t -63.72 -37.32 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.089 -1.007 . . . . 0.0 109.915 -178.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 122.165 0.983 . . . . 0.0 108.852 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -56.51 -38.7 72.17 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.68 83.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.1 m -59.99 -35.9 76.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.43 -0.794 . . . . 0.0 109.63 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -59.95 -40.72 89.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.094 -1.003 . . . . 0.0 108.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.66 -39.96 90.29 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -78.45 -47.85 16.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.515 -0.741 . . . . 0.0 110.258 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 3.8 t80 -95.28 70.02 3.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.321 -0.862 . . . . 0.0 109.111 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.98 103.52 9.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.307 -0.87 . . . . 0.0 108.918 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -80.12 98.13 7.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.483 -0.761 . . . . 0.0 109.666 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 . 179.499 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.307 0.575 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.3 t 62.11 11.31 4.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.297 -0.877 . . . . 0.0 110.4 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.62 24.61 0.15 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.058 -1.026 . . . . 0.0 108.867 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 1' ' ' SER . 53.5 tp -60.02 -32.03 70.51 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.804 -0.759 . . . . 0.0 108.953 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -64.64 -37.5 87.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.159 -0.963 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.94 -40.03 95.51 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.9 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.01 83.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 110.349 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -61.92 -39.95 93.79 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.904 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.68 -39.98 86.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.02 96.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.784 -0.572 . . . . 0.0 111.682 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.95 -39.99 87.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.717 -1.239 . . . . 0.0 107.97 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.55 -39.95 85.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 O-C-N 121.786 -0.571 . . . . 0.0 110.902 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 41.2 t0 -60.53 -47.51 85.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.767 -1.208 . . . . 0.0 111.459 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -39.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.16 -0.963 . . . . 0.0 110.791 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.61 -39.19 83.41 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.123 -0.985 . . . . 0.0 109.241 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -68.52 -24.55 64.67 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.479 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -60.94 -41.7 96.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.581 -1.324 . . . . 0.0 110.074 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.53 -39.07 11.57 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.857 -1.152 . . . . 0.0 111.873 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 44.7 p -60.34 -40.03 89.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.777 -1.202 . . . . 0.0 110.403 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.01 -12.34 81.22 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.06 -46.88 88.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -1.16 . . . . 0.0 109.082 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -87.24 -76.08 0.38 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.388 -0.82 . . . . 0.0 109.654 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.73 -27.1 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.381 -1.39 . . . . 0.0 110.595 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' B' ' 26' ' ' LYS . 94.7 m-20 -82.78 84.1 7.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.446 . . . . 0.0 109.344 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.96 -39.99 75.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.978 -1.076 . . . . 0.0 110.194 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.07 -19.96 46.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.327 -0.858 . . . . 0.0 110.949 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' B' ' 23' ' ' ASP . 40.7 tttt -131.64 154.56 48.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.182 -0.949 . . . . 0.0 109.918 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -126.14 139.18 53.58 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.409 -0.807 . . . . 0.0 109.294 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' B' ' 30' ' ' SER . 31.9 ttpt -108.42 148.49 30.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.994 -1.066 . . . . 0.0 109.407 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -43.36 -24.2 0.09 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.28 -0.887 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 22.3 t -73.61 -51.52 16.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.007 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.11 -39.39 94.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.05 -40.23 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.687 -0.633 . . . . 0.0 110.437 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.24 -40.02 88.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.755 -1.216 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.98 -39.46 93.51 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.127 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.7 HD23 ' C ' ' B' ' 35' ' ' LEU . 6.8 tt -60.99 -50.0 75.14 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.936 -1.103 . . . . 0.0 109.022 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 36' ' ' ILE . 62.0 mt -71.43 -48.26 54.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 O-C-N 121.435 -0.791 . . . . 0.0 111.33 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.4 t-20 -64.26 -40.61 96.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.13 -0.982 . . . . 0.0 112.66 -177.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.459 ' ND2' ' OD1' ' B' ' 37' ' ' ASN . 5.1 m120 -99.05 -34.48 10.39 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.2 -0.938 . . . . 0.0 112.977 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.8 ' O ' HD23 ' B' ' 40' ' ' LEU . 18.2 tt0 -80.13 -9.51 59.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.437 -1.415 . . . . 0.0 109.881 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.8 HD23 ' O ' ' B' ' 39' ' ' GLU . 7.3 mt -141.36 50.15 1.61 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.245 -0.91 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -60.01 -42.66 94.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.0 . . . . 0.0 110.309 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -119.59 -26.28 5.78 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.277 -0.889 . . . . 0.0 110.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.61 -39.92 92.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 110.15 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.91 160.12 36.65 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 9.0 pt-20 -54.45 112.35 0.98 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.006 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.53 146.97 50.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -86.9 135.65 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.851 -1.156 . . . . 0.0 108.52 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -107.08 -17.54 14.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.408 -0.808 . . . . 0.0 110.088 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 45.3 tp10 -140.13 142.6 36.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.192 -0.942 . . . . 0.0 110.535 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -61.1 -26.83 67.94 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.771 -0.581 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 16.1 pt-20 -60.03 -37.21 79.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.825 -1.172 . . . . 0.0 110.177 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.05 -39.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.869 -1.145 . . . . 0.0 108.16 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.73 -37.56 80.01 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.28 -39.66 91.22 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.051 0.929 . . . . 0.0 109.637 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.85 -39.98 87.75 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.09 -28.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -67.36 -35.69 79.85 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.472 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -54.53 -38.04 66.11 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.142 -1.599 . . . . 0.0 106.869 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 -48.22 13.02 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 26.5 mt -89.43 -13.68 37.1 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.816 -1.177 . . . . 0.0 111.115 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.7 t0 -80.93 60.78 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -59.17 -39.96 84.15 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.97 -11.0 60.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.27 74.61 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 33.0 p-10 -107.69 6.54 27.81 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.277 -1.131 . . . . 0.0 110.161 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 77.74 9.03 87.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 108.143 -1.983 . . . . 0.0 108.143 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -139.97 138.42 35.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.885 -0.773 . . . . 0.0 108.945 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.83 130.39 56.11 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.43 159.98 33.21 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.6 -0.687 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.2 t80 -47.66 -36.71 11.47 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.99 -49.28 78.31 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.544 0.688 . . . . 0.0 109.852 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 40.8 mt-10 -60.02 -39.97 87.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 110.612 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -67.54 -31.42 71.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.956 -1.09 . . . . 0.0 109.417 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.433 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.324 -0.86 . . . . 0.0 109.449 -179.076 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.71 71.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.926 -1.109 . . . . 0.0 110.617 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.441 ' O ' HG23 ' B' ' 80' ' ' VAL . 88.2 t80 -60.03 -39.98 87.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.815 -1.178 . . . . 0.0 109.488 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.441 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.4 OUTLIER -63.0 -36.78 77.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 CA-C-O 121.583 0.706 . . . . 0.0 109.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -61.83 -41.64 98.05 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.649 -0.657 . . . . 0.0 110.646 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.2 mtm -75.5 -41.55 55.01 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.4 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 76' ' ' PHE . 21.6 t -63.89 -37.11 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.822 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.04 -40.02 87.92 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 122.104 0.954 . . . . 0.0 108.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 m -56.35 -38.9 72.01 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.81 83.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 23.4 m -59.9 -35.75 75.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 109.643 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -59.96 -40.87 90.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.116 -0.99 . . . . 0.0 108.849 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.48 -40.05 89.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -78.57 -47.77 16.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.509 -0.744 . . . . 0.0 110.217 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 3.7 t80 -95.28 70.12 3.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.341 -0.849 . . . . 0.0 109.061 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -80.06 103.53 10.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.374 -0.829 . . . . 0.0 108.919 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -80.13 98.16 7.18 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.394 -0.816 . . . . 0.0 109.702 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 . 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' X' ' 93' ' ' HIS . 15.8 p80 -69.97 -22.23 63.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.181 -0.95 . . . . 0.0 109.559 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.12 128.62 34.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 108.769 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -60.57 -40.02 90.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.844 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 22.4 t -83.21 136.72 34.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.145 -0.972 . . . . 0.0 109.488 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -91.05 115.1 27.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.289 -0.882 . . . . 0.0 109.058 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -149.8 161.51 42.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.209 -0.932 . . . . 0.0 109.185 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.51 41.78 5.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.04 140.03 58.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.129 -1.218 . . . . 0.0 108.812 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 75.6 m -51.26 -25.2 5.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.107 -0.996 . . . . 0.0 109.224 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.409 ' O ' ' N ' ' X' ' 105' ' ' HIS . 44.4 m -50.02 -28.68 7.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 0.0 109.146 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 45.9 t -49.97 -29.13 7.93 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.08 -39.98 87.98 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.504 ' O ' ' SD ' ' X' ' 109' ' ' MET . 40.2 m80 -66.52 -33.38 75.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.17 -32.79 70.23 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 38.0 ttpt -59.94 -39.0 84.06 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.4 -28.11 68.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 110.08 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -64.13 -24.57 67.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.636 -1.29 . . . . 0.0 110.115 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.656 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.0 -38.45 7.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.534 -1.354 . . . . 0.0 110.378 -178.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.656 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -79.35 -39.18 33.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.695 -1.253 . . . . 0.0 109.87 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.15 -30.62 38.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.856 -1.153 . . . . 0.0 108.726 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 . 179.414 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' Y' ' 93' ' ' HIS . 15.6 p80 -70.0 -22.37 63.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.235 -0.915 . . . . 0.0 109.515 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.9 tp -81.99 128.63 34.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.738 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -60.6 -39.95 90.0 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.255 -0.903 . . . . 0.0 109.904 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 25.1 t -83.35 136.96 34.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.129 -0.982 . . . . 0.0 109.422 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -91.4 114.9 27.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -149.62 161.52 42.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.243 -0.911 . . . . 0.0 109.236 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.67 41.76 5.94 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.97 140.06 58.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.118 -1.224 . . . . 0.0 108.826 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -51.3 -25.3 5.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.177 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.407 ' O ' ' N ' ' Y' ' 105' ' ' HIS . 48.9 m -49.97 -28.78 7.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 0.0 109.118 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 46.5 t -50.01 -29.15 8.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.95 -40.21 88.21 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 39.7 m80 -66.46 -33.27 75.32 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -59.36 -32.43 70.11 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 38.2 ttpt -60.0 -39.23 85.08 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.21 -28.28 68.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.523 -0.736 . . . . 0.0 110.046 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -63.94 -24.6 67.79 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.7 -1.25 . . . . 0.0 110.162 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.643 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.06 -38.45 7.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.584 -1.322 . . . . 0.0 110.347 -178.574 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.58 -37.86 35.32 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.743 -1.223 . . . . 0.0 110.05 179.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -30.01 55.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.923 -1.111 . . . . 0.0 108.54 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 0.0 . 179.235 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.45 0.643 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 p 50.72 22.03 1.04 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.458 -0.776 . . . . 0.0 109.369 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.95 -8.78 57.47 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.538 0.685 . . . . 0.0 109.363 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tt -51.31 -22.94 3.14 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.69 -0.632 . . . . 0.0 110.061 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.93 -40.05 79.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.526 -1.359 . . . . 0.0 109.183 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -70.16 -32.29 70.18 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.03 79.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.849 -0.532 . . . . 0.0 110.769 -178.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -66.67 -39.92 88.38 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.095 -1.003 . . . . 0.0 109.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.14 -37.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.955 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.45 72.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.304 -0.872 . . . . 0.0 110.341 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.74 -34.81 29.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.892 -0.505 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.15 -43.59 95.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.893 -178.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -25.05 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.184 -0.947 . . . . 0.0 109.777 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.88 -40.88 90.2 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.714 -1.242 . . . . 0.0 108.984 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -80.42 -22.65 40.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.431 -0.793 . . . . 0.0 110.433 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -53.38 -47.61 69.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.743 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.548 ' CE1' HD12 ' A' ' 35' ' ' LEU . 25.0 p90 -111.34 -25.98 9.37 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 121.249 -0.907 . . . . 0.0 111.918 -178.463 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.1 t -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.718 -1.239 . . . . 0.0 110.152 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.88 90.39 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -59.99 -48.85 80.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.037 -1.272 . . . . 0.0 109.855 -179.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -89.97 -79.86 0.33 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.223 -0.923 . . . . 0.0 109.975 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.03 -28.91 0.02 OUTLIER Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.433 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' LYS . 22.4 m-20 -73.38 72.26 1.31 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.922 -1.34 . . . . 0.0 108.505 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -59.99 -49.88 75.93 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.615 -0.678 . . . . 0.0 110.95 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -89.75 -4.43 57.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.058 -1.026 . . . . 0.0 111.464 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 23' ' ' ASP . 18.6 mtpp -135.31 158.11 45.21 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.006 -1.059 . . . . 0.0 110.602 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -125.98 131.76 52.18 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.824 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.7 mttt -103.96 159.99 15.19 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -49.0 -24.62 1.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 28' ' ' LYS . 25.3 t -74.37 -45.38 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.781 179.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -70.05 -34.36 73.11 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.89 -42.96 94.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -62.53 -36.51 82.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.558 -0.714 . . . . 0.0 110.067 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.905 -1.122 . . . . 0.0 109.417 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 17' ' ' TYR . 1.3 tt -68.95 -45.35 70.95 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.956 -1.09 . . . . 0.0 108.975 178.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.607 HG21 HD12 ' A' ' 47' ' ' ILE . 89.4 mt -69.94 -41.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.445 -0.785 . . . . 0.0 111.866 -177.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' C ' HD22 ' A' ' 38' ' ' ASN . 10.9 t-20 -71.1 -39.79 71.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.788 -1.195 . . . . 0.0 111.205 -179.164 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.551 ' N ' HD22 ' A' ' 38' ' ' ASN . 2.0 m120 -100.95 -32.93 10.4 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.5 tp10 -81.68 -14.95 55.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.376 -1.453 . . . . 0.0 110.74 -176.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 44' ' ' LEU . 45.9 mt -115.82 54.85 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.418 -0.801 . . . . 0.0 109.263 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -60.06 -40.4 89.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.124 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.34 -16.56 0.56 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.023 -1.048 . . . . 0.0 110.595 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.5 -45.77 92.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.837 -1.165 . . . . 0.0 109.382 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HB3' HD13 ' A' ' 40' ' ' LEU . 11.5 tp -134.27 149.09 50.9 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.257 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.524 ' O ' ' NH2' ' X' ' 104' ' ' ARG . 88.6 tt0 -56.18 114.11 1.83 Allowed 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.482 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.554 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 1.6 pm0 -66.65 170.48 6.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.646 -0.659 . . . . 0.0 109.693 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 36' ' ' ILE . 86.4 mt -98.28 140.01 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 -24.48 10.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.57 -0.706 . . . . 0.0 110.512 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 59.5 mp0 -115.34 139.94 49.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.431 -0.793 . . . . 0.0 109.181 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -17.86 63.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.108 -0.995 . . . . 0.0 109.457 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.24 -39.97 94.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.949 -1.095 . . . . 0.0 109.802 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.13 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.97 -40.06 85.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.91 -39.22 91.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.467 -0.771 . . . . 0.0 109.867 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -67.44 -39.93 85.4 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.878 0.847 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.69 -29.57 44.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 80.9 mmm -74.17 -26.0 60.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.764 -0.775 . . . . 0.0 109.047 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -39.95 87.75 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -79.29 -40.5 30.28 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.1 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.53 -20.06 27.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.043 -1.036 . . . . 0.0 110.495 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.7 t0 -80.3 62.11 4.32 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -76.3 -11.64 59.94 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 63.4 31.11 79.65 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 11.3 p30 -107.18 7.87 29.74 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.281 -1.129 . . . . 0.0 110.175 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.22 1.85 86.39 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -141.04 151.34 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.526 -0.985 . . . . 0.0 109.055 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -118.23 138.67 52.18 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -83.25 171.84 13.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.141 -0.974 . . . . 0.0 109.56 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.456 ' CE2' HG23 ' B' ' 82' ' ' THR . 6.6 t80 -52.01 -39.99 60.3 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.165 -0.959 . . . . 0.0 108.756 -179.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -60.42 -51.58 68.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 110.575 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.21 -40.57 96.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.784 -1.198 . . . . 0.0 110.292 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.99 -34.2 74.41 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.478 -0.764 . . . . 0.0 109.956 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.0 -36.76 77.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.366 -0.834 . . . . 0.0 109.818 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.99 73.74 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.004 -1.078 . . . . 0.0 111.311 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.08 -39.96 87.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.919 -1.113 . . . . 0.0 110.364 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.6 -36.03 76.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-O 121.42 0.629 . . . . 0.0 109.522 -178.662 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.07 -40.72 98.51 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.536 -0.728 . . . . 0.0 110.085 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.3 mtp -73.39 -43.59 60.24 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.288 -0.883 . . . . 0.0 111.518 -178.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.24 -37.96 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.096 -1.003 . . . . 0.0 109.894 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.96 -39.85 87.06 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.467 HG23 ' CE2' ' B' ' 70' ' ' PHE . 4.1 m -53.38 -39.99 64.66 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.41 82.81 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.25 -34.77 70.82 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -59.99 -40.69 90.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.063 -1.023 . . . . 0.0 108.276 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.84 -40.04 91.34 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.22 -41.31 77.22 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.91 70.85 4.03 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -83.66 81.28 8.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.415 -0.803 . . . . 0.0 109.206 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.792 . . . . 0.0 . -179.833 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.386 0.612 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.9 p 50.59 21.99 0.99 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.831 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.07 -8.66 57.18 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.612 -0.68 . . . . 0.0 109.474 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.4 -23.23 3.59 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.664 -0.648 . . . . 0.0 109.943 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -68.59 -40.09 80.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.693 -1.254 . . . . 0.0 109.235 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.32 -31.95 69.49 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.99 78.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.92 -0.488 . . . . 0.0 110.698 -178.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.5 mtt -66.85 -40.03 87.76 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.014 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.99 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.556 -0.715 . . . . 0.0 109.953 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.78 72.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.377 -0.827 . . . . 0.0 110.293 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.06 84.81 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.2 -35.06 32.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.911 -0.493 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.063 -1.023 . . . . 0.0 110.922 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.98 -25.07 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.145 -0.972 . . . . 0.0 109.788 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.71 -41.63 91.24 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.696 -1.252 . . . . 0.0 108.875 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -80.22 -22.12 42.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.456 -0.778 . . . . 0.0 110.546 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -54.0 -47.65 71.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.091 -1.006 . . . . 0.0 110.587 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.533 ' CE1' HD12 ' B' ' 35' ' ' LEU . 23.3 p90 -111.0 -26.15 9.42 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 121.274 -0.891 . . . . 0.0 111.962 -178.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.669 -1.269 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.83 -4.89 90.34 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.313 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.051 -1.264 . . . . 0.0 110.215 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -89.99 -79.83 0.33 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.358 -0.839 . . . . 0.0 110.003 -179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.14 -28.86 0.02 OUTLIER Glycine 0 N--CA 1.493 2.468 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.395 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' B' ' 26' ' ' LYS . 22.3 m-20 -73.1 72.31 1.17 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.799 -1.413 . . . . 0.0 108.553 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.94 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.589 -0.694 . . . . 0.0 110.95 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -90.02 -4.32 57.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.033 -1.042 . . . . 0.0 111.455 -178.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 23' ' ' ASP . 20.0 mtpp -135.25 158.29 44.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.958 -1.089 . . . . 0.0 110.601 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -126.04 131.89 52.08 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.782 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' B' ' 30' ' ' SER . 94.4 mttt -104.09 160.17 15.07 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -49.38 -24.53 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' C ' ' B' ' 28' ' ' LYS . 27.3 t -74.28 -45.51 47.21 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.774 179.136 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -69.91 -34.23 73.23 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.04 -42.39 94.33 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.586 -0.696 . . . . 0.0 109.152 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -63.41 -36.23 83.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.531 -0.731 . . . . 0.0 109.989 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.989 -1.069 . . . . 0.0 109.558 -178.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -69.72 -44.75 69.68 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.858 -1.137 . . . . 0.0 108.93 179.269 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.638 HG21 HD12 ' B' ' 47' ' ' ILE . 87.8 mt -70.02 -41.33 79.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.465 -0.772 . . . . 0.0 111.837 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.532 ' C ' HD22 ' B' ' 38' ' ' ASN . 10.7 t-20 -71.17 -39.94 71.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.82 -1.175 . . . . 0.0 111.265 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.571 ' N ' HD22 ' B' ' 38' ' ' ASN . 1.9 m120 -100.98 -32.41 10.64 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.265 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 3.5 tp10 -81.75 -15.06 55.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.422 -1.423 . . . . 0.0 110.661 -176.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' B' ' 44' ' ' LEU . 43.0 mt -115.85 55.34 0.79 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.439 -0.788 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.95 -40.85 90.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.34 -0.85 . . . . 0.0 110.058 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -144.16 -16.51 0.58 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.021 -1.05 . . . . 0.0 110.553 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.54 -45.85 92.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.833 -1.167 . . . . 0.0 109.429 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' B' ' 40' ' ' LEU . 11.4 tp -134.31 149.16 50.87 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.497 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 88.3 tt0 -56.11 113.58 1.59 Allowed 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.49 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 1.6 pm0 -66.31 170.79 5.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.563 -0.711 . . . . 0.0 109.665 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.638 HD12 HG21 ' B' ' 36' ' ' ILE . 81.7 mt -98.6 139.96 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.228 -0.92 . . . . 0.0 109.46 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -24.12 10.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.605 -0.685 . . . . 0.0 110.471 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 59.6 mp0 -115.46 140.07 49.47 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.368 -0.832 . . . . 0.0 109.123 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -17.74 63.35 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.4 pt-20 -62.35 -40.05 95.12 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.965 -1.084 . . . . 0.0 109.811 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 87.4 t -60.12 -39.94 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.93 -39.97 85.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.63 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -62.2 -38.95 91.09 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.471 -0.768 . . . . 0.0 109.837 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -67.68 -40.03 84.44 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.926 0.87 . . . . 0.0 108.945 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.45 -29.57 44.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 80.3 mmm -74.26 -26.06 59.99 Favored 'General case' 0 C--O 1.199 -1.559 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.106 179.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.99 -40.0 87.67 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 178.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -79.54 -39.94 30.71 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.101 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.05 -19.93 26.43 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.994 -1.066 . . . . 0.0 110.39 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -80.49 62.25 4.52 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.98 -37.37 79.43 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -76.34 -11.81 59.96 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 63.17 31.25 80.07 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 11.9 p30 -107.22 7.75 29.58 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.283 -1.128 . . . . 0.0 110.065 -179.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.14 2.18 86.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.7 pt-20 -141.4 151.29 43.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -1.018 . . . . 0.0 108.873 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -118.51 138.52 52.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -82.96 171.95 13.31 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.467 ' CE2' HG23 ' A' ' 82' ' ' THR . 6.4 t80 -51.97 -39.99 60.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.29 -0.881 . . . . 0.0 108.775 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.48 -51.69 68.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.825 . . . . 0.0 110.537 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -61.94 -41.15 97.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.884 -1.135 . . . . 0.0 110.337 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.58 -34.31 74.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.4 -0.812 . . . . 0.0 109.991 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -36.51 77.18 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.33 -0.856 . . . . 0.0 109.783 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.42 74.82 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 118.936 -1.105 . . . . 0.0 111.408 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.04 -40.03 87.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.832 -1.167 . . . . 0.0 110.301 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.473 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.57 -35.82 75.68 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.224 0 CA-C-O 121.402 0.62 . . . . 0.0 109.603 -178.6 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.908 -179.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.69 -43.07 60.34 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 111.505 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.66 -38.12 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.115 -0.991 . . . . 0.0 109.877 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -59.95 -39.01 84.08 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.0 m -53.92 -40.32 66.6 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.7 81.56 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 -34.66 71.09 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.0 -40.95 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.995 -1.065 . . . . 0.0 108.401 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.74 -40.03 90.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.2 -41.59 76.9 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -93.65 70.82 4.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -73.1 105.8 4.69 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -83.44 81.07 8.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.514 -0.741 . . . . 0.0 109.22 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.433 -0.792 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -60.05 -40.14 88.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.024 -1.047 . . . . 0.0 109.203 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' X' ' 94' ' ' LEU . 3.2 mm? -72.1 144.01 48.83 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.319 -0.863 . . . . 0.0 108.803 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.77 130.11 35.08 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.144 -0.973 . . . . 0.0 109.528 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 27.1 t -80.69 152.18 28.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.458 -0.776 . . . . 0.0 109.946 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 59.9 46.19 11.48 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -100.92 139.1 37.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.304 -0.873 . . . . 0.0 109.475 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.42 -11.81 2.74 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.129 -1.589 . . . . 0.0 109.129 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -103.66 128.83 50.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.968 . . . . 0.0 109.628 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.44 ' O ' ' N ' ' X' ' 103' ' ' SER . 66.1 m -69.95 -25.42 63.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 108.837 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.499 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 1.5 t -42.8 -24.7 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.446 0.641 . . . . 0.0 109.736 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.44 ' N ' ' O ' ' X' ' 101' ' ' SER . 58.6 m -48.15 -24.7 1.21 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 45' ' ' GLU . 4.5 ptm180 -58.18 -35.01 70.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 0.0 110.337 -179.136 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 7.2 p80 -60.01 -38.93 84.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.963 -1.086 . . . . 0.0 109.47 -179.53 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.632 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 35.8 ttpt -59.97 -32.39 70.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.474 -0.766 . . . . 0.0 109.194 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.73 -42.73 93.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.02 -1.05 . . . . 0.0 109.176 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.48 -26.07 60.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.882 -1.136 . . . . 0.0 109.63 178.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.521 ' O ' ' N ' ' X' ' 112' ' ' THR . 39.1 mmt -57.24 -24.24 53.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.587 -1.321 . . . . 0.0 109.55 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 2.2 p90 -44.41 -41.51 6.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.816 -1.177 . . . . 0.0 109.011 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.503 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 23.2 pttt -69.47 -32.53 71.5 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.521 ' N ' ' O ' ' X' ' 109' ' ' MET . 85.1 m -60.75 -39.92 90.5 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -178.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.428 -0.795 . . . . 0.0 . -179.817 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.05 -40.39 89.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.0 -1.063 . . . . 0.0 109.15 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' Y' ' 94' ' ' LEU . 3.0 mm? -71.73 143.53 49.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 108.956 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -82.08 130.11 34.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.996 . . . . 0.0 109.586 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 28.0 t -80.67 151.92 28.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.907 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 60.06 45.91 11.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.413 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -100.69 139.14 36.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.306 -0.871 . . . . 0.0 109.38 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.16 -11.5 2.8 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -103.87 128.7 51.33 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.461 -1.023 . . . . 0.0 109.586 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.443 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.6 m -69.84 -25.17 63.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 108.924 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.502 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 1.6 t -42.81 -24.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.559 0.695 . . . . 0.0 109.683 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.7 m -48.36 -24.83 1.35 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 109.313 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.497 ' NH2' ' O ' ' B' ' 45' ' ' GLU . 4.4 ptm180 -57.98 -35.03 70.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.32 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 7.0 p80 -59.97 -39.07 84.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.857 -1.152 . . . . 0.0 109.443 -179.483 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.639 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 35.9 ttpt -59.99 -32.29 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.43 -0.794 . . . . 0.0 109.192 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.38 -43.05 92.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.947 -1.095 . . . . 0.0 109.175 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.45 -26.03 60.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.865 -1.147 . . . . 0.0 109.506 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' Y' ' 112' ' ' THR . 38.4 mmt -57.22 -24.45 54.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.541 -1.349 . . . . 0.0 109.584 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 2.2 p90 -44.06 -41.76 5.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.875 -1.141 . . . . 0.0 109.056 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 25.8 pttt -69.22 -33.32 73.12 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' Y' ' 109' ' ' MET . 89.7 m -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.064 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 . -179.668 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.209 0.528 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 50.06 20.18 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 109.72 179.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.05 -5.91 44.36 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.47 0.653 . . . . 0.0 109.796 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.0 tp -44.06 -24.38 0.15 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.589 -0.694 . . . . 0.0 110.402 -178.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -67.42 -40.04 85.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.554 -1.341 . . . . 0.0 109.045 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.52 -39.98 73.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.496 -0.752 . . . . 0.0 110.02 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.97 94.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.805 . . . . 0.0 111.079 -178.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.4 mtt -67.01 -39.96 87.2 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.033 -1.042 . . . . 0.0 110.008 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.5 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.259 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.25 67.49 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.346 -0.846 . . . . 0.0 111.41 -178.399 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.46 -37.32 77.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.92 -47.0 87.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.988 -1.07 . . . . 0.0 111.145 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -38.99 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.891 -1.13 . . . . 0.0 109.685 -179.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 36.1 t80 -56.23 -39.95 73.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.465 -1.397 . . . . 0.0 108.595 -179.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -69.87 -21.84 63.3 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.241 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.97 -43.7 94.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 110.421 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 64.7 m-85 -97.23 -36.26 10.49 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.799 -1.188 . . . . 0.0 112.196 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.498 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 58.0 m -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.944 -1.097 . . . . 0.0 111.122 -177.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.26 -4.2 67.9 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 119.945 -1.121 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -70.05 -45.68 66.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.809 -1.406 . . . . 0.0 110.525 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.57 161.06 17.87 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.523 -0.736 . . . . 0.0 110.252 -178.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -45.7 -23.65 1.0 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.528 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.7 m-20 -72.02 57.98 0.34 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.956 -1.32 . . . . 0.0 108.44 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' GLY . 51.3 mtmt -66.4 -39.99 89.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.467 -0.77 . . . . 0.0 110.892 -178.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 85.6 t60 -87.68 -7.74 57.03 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.136 -0.978 . . . . 0.0 111.453 -178.121 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 23' ' ' ASP . 14.0 ptpt -144.83 167.7 21.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.802 -1.186 . . . . 0.0 109.733 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 21.0 mt -120.44 127.4 52.21 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' C ' ' N ' ' A' ' 30' ' ' SER . 62.4 tttp -92.29 149.24 21.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 178.811 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.3 pttm -45.02 -22.86 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' C ' ' A' ' 28' ' ' LYS . 47.7 t -80.05 -49.92 11.09 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.219 0.533 . . . . 0.0 109.701 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 60.4 tt0 -68.53 -34.34 75.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.99 -41.42 92.03 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.662 -0.649 . . . . 0.0 109.712 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 88.0 tttt -60.03 -39.97 87.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 -179.098 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.05 -39.99 91.93 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.5 tt -60.87 -48.91 79.63 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.241 -0.912 . . . . 0.0 109.118 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.29 -46.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.315 -0.865 . . . . 0.0 112.09 -178.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.559 ' N ' HD22 ' A' ' 37' ' ' ASN . 1.3 m-80 -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.074 -1.016 . . . . 0.0 112.608 -176.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.4 -38.78 9.9 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.172 -0.955 . . . . 0.0 112.494 -176.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 23.8 tt0 -67.41 -40.06 85.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.443 -1.411 . . . . 0.0 108.905 -178.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -99.79 63.67 1.22 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 110.002 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -135.86 -17.07 1.69 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.281 -0.887 . . . . 0.0 109.955 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.73 -41.24 97.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.068 -1.02 . . . . 0.0 109.966 -179.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 45' ' ' GLU . 5.2 tt -130.96 153.33 49.31 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.496 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 54.3 tp10 -59.42 113.91 2.42 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.057 -179.241 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 37' ' ' ASN . 31.6 mt-10 -56.45 166.38 0.9 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.708 0.766 . . . . 0.0 109.706 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.415 ' HB ' HD21 ' A' ' 37' ' ' ASN . 5.1 mm -95.56 140.03 17.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -108.65 -14.11 14.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.461 -0.774 . . . . 0.0 109.988 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -137.09 149.15 47.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.202 -0.936 . . . . 0.0 110.81 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.434 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 9.5 mm100 -69.73 -24.99 63.63 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.1 pt-20 -60.75 -39.98 90.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.744 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 95.0 t -60.13 -39.95 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.046 -1.034 . . . . 0.0 108.667 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.24 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.82 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -67.48 -35.21 78.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.341 -0.849 . . . . 0.0 109.934 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.52 -40.0 80.99 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -63.91 -35.2 72.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.99 -26.1 63.93 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.575 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.95 -40.06 87.71 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.6 m -82.78 -37.91 23.92 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.38 178.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.63 -18.11 30.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.081 -1.012 . . . . 0.0 110.786 -177.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.596 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 58.9 t0 -80.92 61.44 4.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 59.4 mt-10 -60.01 -39.96 87.58 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.717 -177.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -84.96 -2.85 58.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.0 -1.062 . . . . 0.0 108.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.75 34.53 87.64 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.375 178.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 44.9 p-10 -104.93 -0.71 26.71 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.102 -1.234 . . . . 0.0 110.102 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.596 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.46 4.46 87.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 29.6 mt-10 -137.94 133.53 33.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.629 -0.924 . . . . 0.0 108.537 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 p -95.4 122.2 37.87 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.034 -1.041 . . . . 0.0 108.724 179.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -77.96 170.56 16.39 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -178.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 3.3 t80 -44.66 -44.12 8.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -62.15 -49.98 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.522 -0.736 . . . . 0.0 110.326 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -61.55 -40.04 93.24 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.283 -0.886 . . . . 0.0 110.666 -178.418 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.44 ' CE1' HG22 ' A' ' 77' ' ' VAL . 65.0 t80 -68.7 -29.12 67.49 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.942 -1.099 . . . . 0.0 109.413 179.624 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -39.51 85.98 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.368 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.99 -33.27 71.83 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.48 ' HB2' HD11 ' A' ' 60' ' ' LEU . 88.2 t80 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.879 -1.138 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.44 HG22 ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -65.78 -34.46 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 0.0 110.03 -178.712 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 3.3 p -68.94 -39.38 79.6 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.189 -0.944 . . . . 0.0 109.419 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.55 -45.76 74.72 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 111.495 -178.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.28 -35.4 62.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.034 -1.042 . . . . 0.0 110.148 -178.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -60.09 -40.01 88.14 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -54.36 -37.81 65.37 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.0 87.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.492 -0.755 . . . . 0.0 109.41 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 t -60.21 -38.63 83.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.304 -0.872 . . . . 0.0 109.522 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.428 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 43.3 t-80 -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.222 -179.714 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.68 -41.14 97.15 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.166 -0.959 . . . . 0.0 108.676 179.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -77.51 -40.0 44.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.47 -0.769 . . . . 0.0 109.547 179.169 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.78 61.64 4.82 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.86 106.8 5.74 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.126 -0.984 . . . . 0.0 108.451 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -59.97 -39.07 84.4 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.711 -0.618 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.071 0.462 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 t 49.8 20.1 0.51 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.015 -1.053 . . . . 0.0 109.682 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 4' ' ' GLU . 98.9 mt-10 -74.2 -5.81 44.12 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.622 -0.674 . . . . 0.0 109.895 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.4 tp -43.98 -24.51 0.15 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.652 -0.655 . . . . 0.0 110.343 -178.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.2 tt0 -67.15 -40.17 86.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.572 -1.33 . . . . 0.0 109.14 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -70.43 -39.97 74.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.587 -0.696 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.01 93.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.471 -0.768 . . . . 0.0 110.995 -178.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.5 mtt -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.951 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.22 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.293 -0.88 . . . . 0.0 111.457 -178.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.99 -40.04 87.82 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.42 -37.3 77.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.357 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.03 -46.9 87.98 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.006 -1.058 . . . . 0.0 111.116 -178.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -39.02 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.927 -1.108 . . . . 0.0 109.618 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 35.6 t80 -56.36 -39.96 73.74 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.421 -1.424 . . . . 0.0 108.587 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -69.69 -22.06 63.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.205 -0.935 . . . . 0.0 109.318 179.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.99 -43.53 95.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.127 -0.983 . . . . 0.0 110.397 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.466 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 64.4 m-85 -97.11 -36.34 10.51 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.767 -1.208 . . . . 0.0 112.293 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.521 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 54.8 m -59.97 -40.05 87.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.984 -1.072 . . . . 0.0 111.193 -177.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -4.28 67.43 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -70.24 -45.6 66.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.775 -1.426 . . . . 0.0 110.528 -179.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -113.48 161.13 17.71 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.517 -0.739 . . . . 0.0 110.312 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -45.87 -23.45 1.03 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.17 58.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.962 -1.316 . . . . 0.0 108.319 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 22' ' ' GLY . 51.1 mtmt -66.6 -40.04 88.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.774 . . . . 0.0 110.799 -178.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.415 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 85.6 t60 -87.78 -7.33 57.44 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.009 -1.057 . . . . 0.0 111.434 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -144.95 167.75 21.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.787 -1.196 . . . . 0.0 109.684 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -120.52 127.27 52.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.6 tttp -92.25 149.42 21.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.3 pttm -45.06 -22.81 0.11 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.924 0.869 . . . . 0.0 108.906 -179.573 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 28' ' ' LYS . 44.6 t -79.86 -50.17 10.88 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.268 0.556 . . . . 0.0 109.759 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.466 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 60.7 tt0 -68.63 -34.03 75.04 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.657 -0.652 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.434 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 88.1 tttt -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.835 -179.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -61.27 -39.99 92.44 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.692 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.8 tt -60.79 -49.31 78.02 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.477 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.99 -46.25 46.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.32 -0.863 . . . . 0.0 112.166 -178.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.547 ' N ' HD22 ' B' ' 37' ' ' ASN . 1.3 m-80 -69.98 -40.03 75.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 112.693 -176.637 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -96.43 -38.52 10.0 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.165 -0.959 . . . . 0.0 112.473 -176.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 24.9 tt0 -67.53 -40.06 85.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.474 -1.391 . . . . 0.0 108.898 -178.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.8 63.62 1.22 Allowed 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -59.92 -40.07 87.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 -179.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -135.8 -17.09 1.7 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.233 -0.917 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.83 -40.94 97.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.062 -1.023 . . . . 0.0 110.069 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -131.19 153.19 49.7 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.19 114.16 2.49 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.656 -1.217 . . . . 0.0 108.976 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 31.0 mt-10 -56.75 166.32 0.99 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.726 0.774 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.409 ' HB ' HD21 ' B' ' 37' ' ' ASN . 4.9 mm -95.52 139.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -108.6 -14.36 14.64 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.544 -0.723 . . . . 0.0 109.989 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.8 148.99 47.5 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.986 . . . . 0.0 110.883 -179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.434 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 9.5 mm100 -69.38 -24.82 63.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.071 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.0 pt-20 -60.91 -39.98 91.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.438 -0.789 . . . . 0.0 110.692 -178.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 93.2 t -60.08 -39.98 81.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 108.583 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.16 -36.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -67.48 -35.08 78.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 109.917 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.69 -40.02 80.26 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.01 -35.14 72.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.592 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -69.97 -26.15 63.96 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.04 -39.94 87.66 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 20.9 m -82.71 -38.24 23.62 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 178.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.37 -18.11 30.79 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.093 -1.004 . . . . 0.0 110.855 -177.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.61 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 58.7 t0 -80.91 61.28 4.46 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 178.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.5 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 57.9 mt-10 -60.04 -40.14 88.33 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.691 -177.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -84.7 -2.78 58.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.989 -1.07 . . . . 0.0 108.964 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 34.65 88.1 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.382 178.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 45.4 p-10 -105.05 -0.41 26.79 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.076 -1.25 . . . . 0.0 109.996 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.61 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.16 4.45 86.43 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 30.9 mt-10 -137.96 133.53 33.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.584 -0.95 . . . . 0.0 108.462 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.49 122.24 38.02 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.128 -0.982 . . . . 0.0 108.705 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -78.0 170.59 16.36 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -178.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 3.2 t80 -44.72 -43.86 8.77 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -62.21 -50.03 73.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.519 -0.738 . . . . 0.0 110.307 179.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 49.0 mt-10 -61.65 -40.03 93.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.23 -0.919 . . . . 0.0 110.641 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' B' ' 77' ' ' VAL . 69.0 t80 -68.78 -29.0 67.28 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.91 -1.119 . . . . 0.0 109.358 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.54 85.97 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.49 -179.175 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -70.01 -33.38 71.94 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.785 -1.197 . . . . 0.0 110.063 -179.562 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' B' ' 60' ' ' LEU . 89.0 t80 -60.06 -40.01 87.99 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.861 -1.149 . . . . 0.0 110.598 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.443 HG22 ' CE2' ' B' ' 73' ' ' PHE . 0.1 OUTLIER -65.7 -34.39 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.504 -0.748 . . . . 0.0 110.055 -178.719 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 3.2 p -69.02 -39.08 79.48 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.231 -0.918 . . . . 0.0 109.465 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 90.9 mtp -68.0 -45.66 73.44 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 111.487 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.97 -35.55 64.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.138 -0.976 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.4 m -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HZ2' ' Y' ' 111' ' ' LYS . 4.2 m -54.57 -37.6 65.67 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.42 178.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 t -59.99 -39.04 84.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.574 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -60.05 -40.54 89.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.102 -0.999 . . . . 0.0 109.08 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.36 -41.33 96.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.173 -0.954 . . . . 0.0 108.677 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -77.48 -39.99 44.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.625 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.78 61.89 4.89 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.1 106.72 5.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.049 -1.032 . . . . 0.0 108.401 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.95 -38.89 83.79 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.68 -0.637 . . . . 0.0 . 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -84.56 138.79 32.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 86.5 mt -94.86 142.85 26.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.886 . . . . 0.0 108.851 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -143.04 160.0 41.2 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' X' ' 97' ' ' LYS . 47.9 t -97.75 -162.02 0.92 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.368 -0.832 . . . . 0.0 109.679 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' X' ' 96' ' ' SER . 25.6 pttm -77.43 27.71 0.16 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.378 -0.826 . . . . 0.0 110.066 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 109.05 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.98 154.83 53.15 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.446 ' HB2' HG22 ' X' ' 102' ' ' THR . 94.8 mm-40 -130.61 159.95 35.66 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.42 ' O ' ' N ' ' X' ' 103' ' ' SER . 53.2 m -56.29 -27.08 54.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.057 . . . . 0.0 109.252 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.446 HG22 ' HB2' ' X' ' 100' ' ' GLN . 8.1 t -44.15 -24.73 0.17 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.441 -0.787 . . . . 0.0 109.371 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.42 ' N ' ' O ' ' X' ' 101' ' ' SER . 73.2 m -59.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.276 -0.89 . . . . 0.0 109.066 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.14 -40.02 88.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.656 -1.278 . . . . 0.0 108.354 178.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -59.4 -30.43 68.45 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.93 -34.3 73.04 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 47.7 mtmt -59.91 -39.32 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.376 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 41.4 tp -70.05 -25.54 63.6 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.713 178.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.434 ' O ' ' N ' ' X' ' 112' ' ' THR . 59.5 mtt -66.41 -24.47 66.47 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.809 -1.182 . . . . 0.0 110.061 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -46.72 -34.48 5.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 108.869 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -73.77 -39.55 64.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.145 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.434 ' N ' ' O ' ' X' ' 109' ' ' MET . 72.7 p -60.04 -32.21 70.7 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.526 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 . 179.746 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -84.48 138.83 32.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.93 142.5 27.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.303 -0.873 . . . . 0.0 108.933 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -142.94 160.03 41.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 109.741 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' Y' ' 97' ' ' LYS . 47.0 t -97.71 -162.05 0.92 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.409 -0.807 . . . . 0.0 109.69 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . 0.416 ' N ' ' OG ' ' Y' ' 96' ' ' SER . 25.4 pttm -77.48 27.72 0.16 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.175 -0.953 . . . . 0.0 108.989 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.91 154.71 53.1 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' Y' ' 102' ' ' THR . 94.7 mm-40 -130.71 159.7 36.47 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.81 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.428 ' O ' ' N ' ' Y' ' 103' ' ' SER . 53.4 m -56.13 -27.0 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.944 -1.098 . . . . 0.0 109.285 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.431 HG22 ' HB2' ' Y' ' 100' ' ' GLN . 8.0 t -44.19 -24.67 0.17 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.495 -0.753 . . . . 0.0 109.333 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.428 ' N ' ' O ' ' Y' ' 101' ' ' SER . 75.5 m -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.324 -0.86 . . . . 0.0 109.0 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -60.47 -39.96 89.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.65 -1.281 . . . . 0.0 108.366 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.32 -30.35 68.29 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.98 -34.29 73.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.402 -0.811 . . . . 0.0 108.955 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 48.8 mtmt -59.8 -39.33 84.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.92 -25.92 63.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.555 -0.715 . . . . 0.0 109.687 178.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.426 ' O ' ' N ' ' Y' ' 112' ' ' THR . 62.2 mtt -66.23 -24.42 66.6 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.839 -1.163 . . . . 0.0 110.089 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -46.61 -34.64 5.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.917 -1.114 . . . . 0.0 108.902 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.581 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -73.51 -40.01 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.165 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.426 ' N ' ' O ' ' Y' ' 109' ' ' MET . 71.6 p -59.98 -31.51 69.97 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.642 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 0.0 . 179.738 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 2' ' ' GLU . 52.8 tpp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 3' ' ' LEU . 67.6 m 52.5 8.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.3 pt-20 -75.7 22.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.272 -0.893 . . . . 0.0 108.932 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 3' ' ' LEU . 2.3 tm? -60.04 -37.51 80.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.315 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -61.77 -38.98 90.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.431 -0.793 . . . . 0.0 109.868 179.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.96 -39.97 93.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.026 -1.046 . . . . 0.0 108.455 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.01 91.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.585 -0.697 . . . . 0.0 109.48 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.6 mtt -62.07 -40.05 94.47 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.875 0.845 . . . . 0.0 110.055 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.6 -37.81 80.33 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 O-C-N 121.819 -0.551 . . . . 0.0 110.02 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.35 80.47 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.441 -0.787 . . . . 0.0 111.467 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.01 -39.93 87.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.838 -1.164 . . . . 0.0 108.434 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.64 -40.0 81.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.626 -0.671 . . . . 0.0 110.963 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.83 -45.23 90.5 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.614 -1.304 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.02 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.094 -1.003 . . . . 0.0 110.659 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.678 ' CE1' HD23 ' A' ' 27' ' ' LEU . 87.0 t80 -60.02 -39.62 86.45 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.86 -1.15 . . . . 0.0 108.967 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.82 -27.12 68.02 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.098 -1.001 . . . . 0.0 110.016 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.0 -41.86 92.99 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 110.651 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -96.69 -33.56 11.69 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.76 -1.212 . . . . 0.0 112.492 -178.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -64.65 -39.95 94.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.903 -1.123 . . . . 0.0 111.057 -178.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 -9.58 86.88 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.559 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 79.7 tt0 -94.48 -3.03 50.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 109.081 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.71 -6.81 79.91 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 26' ' ' LYS . 91.6 m-20 -82.52 69.77 9.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.838 -1.389 . . . . 0.0 108.402 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -70.01 -42.21 73.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.883 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 19.7 p80 -79.03 -13.75 59.59 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.054 -1.029 . . . . 0.0 111.32 -178.288 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' NZ ' ' OD2' ' A' ' 65' ' ' ASP . 44.1 tttt -141.68 159.95 41.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.822 -1.174 . . . . 0.0 109.46 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD23 ' CE1' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -120.02 129.86 54.45 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.725 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.603 ' N ' HD13 ' A' ' 27' ' ' LEU . 35.4 ttpt -102.98 140.46 37.22 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.891 -1.13 . . . . 0.0 109.544 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -38.96 -23.38 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.413 0.625 . . . . 0.0 109.82 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.7 m -72.7 -54.57 8.62 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.425 -178.167 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' OE2' ' N ' ' A' ' 21' ' ' GLU . 61.7 mt-10 -67.31 -28.68 68.2 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.999 -1.063 . . . . 0.0 108.215 179.195 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.08 -48.42 81.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.439 -0.788 . . . . 0.0 109.55 179.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 64.5 tttm -61.32 -39.97 92.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.143 -0.973 . . . . 0.0 110.758 -179.093 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.35 -36.51 83.93 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 109.26 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.92 -50.0 65.96 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.031 -1.043 . . . . 0.0 108.829 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.56 -48.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.536 -0.727 . . . . 0.0 111.382 -177.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.03 -38.7 66.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.883 -1.136 . . . . 0.0 112.296 -177.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 2.0 m120 -98.35 -36.44 9.99 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.427 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.872 ' O ' HD23 ' A' ' 40' ' ' LEU . 24.3 tt0 -83.0 -13.27 56.26 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.24 -1.538 . . . . 0.0 109.95 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 39' ' ' GLU . 5.1 mt -143.13 45.21 1.55 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.951 . . . . 0.0 109.073 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -60.0 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.192 -0.943 . . . . 0.0 110.397 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -100.34 -12.51 19.39 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.152 -0.967 . . . . 0.0 110.373 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.92 -9.92 54.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.087 -1.008 . . . . 0.0 109.476 -179.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.587 HD11 HG11 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -153.28 170.17 21.26 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' H ' HD23 ' A' ' 44' ' ' LEU . 9.0 pt-20 -68.79 119.5 13.26 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.698 -1.201 . . . . 0.0 108.462 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.49 144.08 56.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -89.69 135.3 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.094 -1.004 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -108.61 -24.66 11.26 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.371 -0.831 . . . . 0.0 109.775 -178.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -124.09 149.79 45.77 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.835 0.826 . . . . 0.0 111.06 -178.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 14.0 mm100 -69.99 -21.7 63.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.181 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.42 -40.06 89.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 111.038 -178.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.06 -40.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.887 -1.133 . . . . 0.0 108.518 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.64 -32.79 58.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.25 -34.24 72.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.819 . . . . 0.0 109.665 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.04 -40.0 75.41 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.17 -34.33 69.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -60.58 -39.97 89.98 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.105 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -53.84 -38.89 65.12 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.167 -1.583 . . . . 0.0 107.471 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 m -80.01 -45.95 17.48 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.884 -179.407 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 21.6 mt -90.06 -15.78 31.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.816 -1.177 . . . . 0.0 110.819 -178.246 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.4 t0 -81.42 62.03 5.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -38.71 83.22 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.76 -13.18 60.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 60.85 30.7 73.6 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.205 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' NZ ' ' A' ' 26' ' ' LYS . 34.6 p-10 -107.6 7.69 28.78 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.097 -1.237 . . . . 0.0 109.73 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.98 7.49 88.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 91.0 mt-10 -139.95 131.85 27.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.38 46.39 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.144 -0.973 . . . . 0.0 108.914 -179.612 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 54.8 t0 -61.89 157.94 17.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.101 -0.999 . . . . 0.0 109.063 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 74' ' ' MET . 2.3 t80 -46.82 -38.95 11.01 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.306 -0.872 . . . . 0.0 108.816 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.2 -37.04 77.91 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.408 -0.807 . . . . 0.0 110.029 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 42.9 mt-10 -61.71 -42.91 99.58 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.728 -1.232 . . . . 0.0 109.994 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -63.39 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.083 . . . . 0.0 109.006 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 70' ' ' PHE . 89.3 mtp -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.666 -0.646 . . . . 0.0 110.519 -178.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.79 73.01 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.69 -1.256 . . . . 0.0 110.167 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.709 ' CE2' HG21 ' A' ' 80' ' ' VAL . 67.7 t80 -59.96 -32.31 70.69 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.236 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 77' ' ' VAL . 10.8 t -61.28 -40.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 t -66.07 -39.99 90.5 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.501 -0.749 . . . . 0.0 110.171 -178.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtp -68.56 -43.05 77.42 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.183 -0.948 . . . . 0.0 112.084 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.709 HG21 ' CE2' ' A' ' 76' ' ' PHE . 14.4 t -77.31 -30.6 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.769 -1.207 . . . . 0.0 109.985 -178.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.6 m -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.9 m -60.01 -39.72 86.77 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.85 86.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.02 -34.94 74.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.379 -0.825 . . . . 0.0 109.511 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.19 -39.2 81.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.974 . . . . 0.0 108.752 -179.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.93 -40.04 87.58 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -88.3 -23.27 23.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.156 -0.965 . . . . 0.0 110.374 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -92.35 -0.03 57.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.014 -1.054 . . . . 0.0 109.077 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -68.73 -97.8 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.86 -2.57 58.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.987 -1.071 . . . . 0.0 108.947 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.41 -0.806 . . . . 0.0 . -179.796 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.483 ' C ' ' H ' ' B' ' 2' ' ' GLU . 53.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.48 ' C ' ' H ' ' B' ' 3' ' ' LEU . 62.9 m 52.16 8.42 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.338 -0.851 . . . . 0.0 109.914 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 0' ' ' MET . 18.5 pt-20 -75.87 22.37 0.15 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 108.97 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.667 ' O ' HD13 ' B' ' 3' ' ' LEU . 2.3 tm? -59.95 -37.9 80.89 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -61.25 -39.53 90.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.462 -0.774 . . . . 0.0 109.88 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.54 -40.0 93.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.037 -1.04 . . . . 0.0 108.533 179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.97 91.99 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.566 -0.709 . . . . 0.0 109.48 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.6 mtt -62.26 -39.94 94.54 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -66.56 -37.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.72 -0.613 . . . . 0.0 110.046 -179.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.49 81.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -0.835 . . . . 0.0 111.508 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.841 -1.162 . . . . 0.0 108.448 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.69 -39.94 80.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.691 -0.631 . . . . 0.0 110.997 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.79 -45.36 90.05 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.617 -1.302 . . . . 0.0 111.78 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -40.04 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.114 -0.992 . . . . 0.0 110.72 -178.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.672 ' CE1' HD23 ' B' ' 27' ' ' LEU . 87.5 t80 -59.94 -39.78 86.73 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 109.068 -179.171 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -65.57 -27.17 68.24 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.157 -0.964 . . . . 0.0 110.108 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -41.87 92.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.993 -1.067 . . . . 0.0 110.583 -178.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -96.71 -34.01 11.52 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.781 -1.199 . . . . 0.0 112.484 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -64.19 -40.05 95.27 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.837 -1.164 . . . . 0.0 111.038 -178.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -9.84 86.66 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.357 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.175 -1.191 . . . . 0.0 109.521 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 79.5 tt0 -94.56 -3.12 50.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.473 -0.767 . . . . 0.0 109.005 -179.689 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.77 -6.74 79.74 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 26' ' ' LYS . 91.5 m-20 -82.46 69.7 9.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.888 -1.36 . . . . 0.0 108.466 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -69.95 -42.41 73.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.305 -0.872 . . . . 0.0 110.868 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' B' ' 25' ' ' HIS . 19.9 p80 -78.92 -13.84 59.57 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.111 -0.993 . . . . 0.0 111.304 -178.213 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' B' ' 23' ' ' ASP . 45.9 tttt -141.63 160.0 41.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.805 -1.184 . . . . 0.0 109.441 -179.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -120.07 129.8 54.38 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -178.694 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.6 ' N ' HD13 ' B' ' 27' ' ' LEU . 35.2 ttpt -103.0 140.55 37.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.939 -1.101 . . . . 0.0 109.498 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -39.01 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.499 0.666 . . . . 0.0 109.84 -179.897 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 28' ' ' LYS . 74.8 m -72.98 -54.16 9.32 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.575 -178.25 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' B' ' 21' ' ' GLU . 61.3 mt-10 -67.67 -28.46 67.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.974 -1.079 . . . . 0.0 108.105 179.103 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.99 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.536 -0.727 . . . . 0.0 109.593 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.411 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 64.5 tttm -61.23 -39.99 92.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.224 -0.923 . . . . 0.0 110.762 -178.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.48 -36.35 83.45 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.115 -0.99 . . . . 0.0 109.239 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.97 -50.01 65.84 Favored 'General case' 0 C--N 1.289 -2.038 0 O-C-N 121.117 -0.989 . . . . 0.0 108.846 178.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.41 -49.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 111.348 -178.05 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.72 -38.89 67.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.968 -1.082 . . . . 0.0 112.343 -177.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' B' ' 38' ' ' ASN . 2.1 m120 -98.26 -36.85 9.89 Favored 'General case' 0 N--CA 1.506 2.333 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.886 ' O ' HD23 ' B' ' 40' ' ' LEU . 24.0 tt0 -82.45 -13.48 56.69 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.241 -1.537 . . . . 0.0 110.029 -177.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.886 HD23 ' O ' ' B' ' 39' ' ' GLU . 5.3 mt -143.05 45.1 1.57 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.156 -0.965 . . . . 0.0 109.046 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.7 t -60.06 -49.89 75.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.168 -0.958 . . . . 0.0 110.403 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -100.18 -12.3 19.71 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.164 -0.96 . . . . 0.0 110.472 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -87.16 -10.07 53.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.0 -1.062 . . . . 0.0 109.45 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.602 HD11 HG11 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -153.04 170.45 20.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.419 ' H ' HD23 ' B' ' 44' ' ' LEU . 9.1 pt-20 -68.95 119.57 13.47 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.779 -1.201 . . . . 0.0 108.434 179.358 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 144.29 56.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -89.91 135.31 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.13 -0.981 . . . . 0.0 108.914 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -108.52 -24.73 11.27 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.395 -0.815 . . . . 0.0 109.917 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.17 149.92 45.77 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.763 0.792 . . . . 0.0 110.94 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.9 mm100 -69.98 -21.77 63.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.132 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.41 -39.94 89.18 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.478 -0.764 . . . . 0.0 111.048 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.01 -40.04 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.904 -1.123 . . . . 0.0 108.5 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.8 -32.66 57.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 122.001 -0.437 . . . . 0.0 109.884 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -70.33 -34.22 72.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.367 -0.833 . . . . 0.0 109.688 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -69.97 -39.99 75.64 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.47 -33.95 67.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -60.78 -40.05 91.12 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.026 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -53.73 -38.87 64.77 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.178 -1.576 . . . . 0.0 107.503 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.6 m -79.98 -46.12 17.23 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.863 -179.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 22.0 mt -89.88 -15.63 31.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.835 -1.166 . . . . 0.0 110.916 -178.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.6 t0 -81.51 61.57 5.0 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.71 -38.51 81.8 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -73.75 -13.44 60.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.33 30.1 73.22 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 26' ' ' LYS . 34.8 p-10 -107.47 7.92 29.17 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.13 -1.218 . . . . 0.0 109.883 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.96 7.39 88.55 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.446 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 91.0 mt-10 -139.92 131.91 27.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -100.43 129.24 46.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.204 -0.935 . . . . 0.0 108.904 -179.528 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 55.2 t0 -61.81 158.1 16.62 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.995 -1.066 . . . . 0.0 109.085 -179.261 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' B' ' 74' ' ' MET . 2.3 t80 -46.89 -38.9 11.16 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 108.938 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 110.015 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 42.9 mt-10 -61.56 -42.8 99.37 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.718 -1.239 . . . . 0.0 110.011 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.54 -38.35 90.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.999 -1.063 . . . . 0.0 108.936 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' B' ' 70' ' ' PHE . 89.2 mtp -59.96 -38.85 83.69 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.568 -0.708 . . . . 0.0 110.505 -178.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.87 73.1 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.741 -1.224 . . . . 0.0 110.13 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.7 ' CE2' HG21 ' B' ' 80' ' ' VAL . 70.1 t80 -59.94 -32.37 70.72 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.264 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.36 -40.08 84.96 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-O 121.409 0.624 . . . . 0.0 110.066 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.0 t -65.96 -40.0 90.91 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.492 -0.755 . . . . 0.0 110.193 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtp -68.72 -43.17 76.54 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 112.064 -177.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.7 HG21 ' CE2' ' B' ' 76' ' ' PHE . 14.4 t -77.46 -30.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -178.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.9 m -60.31 -40.04 89.16 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.5 m -59.98 -39.54 86.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.99 87.21 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 88' ' ' PHE . 18.0 m -59.99 -34.93 73.98 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.804 . . . . 0.0 109.5 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.078 -1.014 . . . . 0.0 108.834 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.342 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -88.25 -23.33 23.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.192 -0.943 . . . . 0.0 110.387 -179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 84' ' ' CYS . 5.3 m-85 -92.33 0.02 57.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.086 -1.009 . . . . 0.0 109.02 -179.404 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -68.87 -97.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.384 -0.822 . . . . 0.0 109.572 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -2.58 58.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.963 -1.086 . . . . 0.0 108.889 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.488 1.462 0 O-C-N 121.517 -0.739 . . . . 0.0 . -179.786 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -135.47 147.72 48.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.33 -40.01 89.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.466 -0.771 . . . . 0.0 109.797 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -94.96 -163.65 1.07 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 59.99 39.69 19.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.637 -0.664 . . . . 0.0 110.1 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -120.78 123.98 43.98 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.673 0.749 . . . . 0.0 109.399 179.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -69.98 -39.99 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.019 -1.051 . . . . 0.0 110.738 -179.554 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.59 154.36 29.61 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -123.17 143.46 50.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.635 -0.92 . . . . 0.0 109.171 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -61.65 -25.21 67.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.102 -0.999 . . . . 0.0 109.539 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 39.2 p -47.77 -24.9 1.07 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.47 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 58.4 m -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.07 -1.019 . . . . 0.0 108.683 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -65.6 -40.07 92.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.457 ' O ' ' SD ' ' X' ' 109' ' ' MET . 75.7 t60 -59.98 -39.94 87.41 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.556 -0.715 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.03 -31.04 69.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.259 -0.901 . . . . 0.0 108.793 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.494 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 48.9 tttm -59.67 -37.62 79.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.711 -1.243 . . . . 0.0 107.683 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.98 -27.41 66.56 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.716 -0.615 . . . . 0.0 110.056 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -62.49 -24.72 67.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.649 -1.282 . . . . 0.0 109.998 179.706 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.645 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.7 -36.94 26.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.696 -1.253 . . . . 0.0 109.471 -179.198 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.645 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -72.32 -39.04 68.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.166 -0.959 . . . . 0.0 109.505 179.227 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -58.92 -27.47 65.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.007 -1.058 . . . . 0.0 108.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.586 -0.696 . . . . 0.0 . 179.466 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -135.75 147.99 48.64 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.371 -0.831 . . . . 0.0 109.718 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.78 -39.97 90.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.449 -0.782 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -95.04 -163.7 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -178.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 60.0 40.03 19.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.646 -0.658 . . . . 0.0 110.058 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -121.05 123.9 43.5 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 121.71 0.767 . . . . 0.0 109.365 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -70.02 -39.99 75.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.914 -1.116 . . . . 0.0 110.674 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.6 154.17 29.42 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -123.16 143.49 49.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.622 -0.929 . . . . 0.0 109.202 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 22.2 m -61.56 -25.33 67.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.168 -0.958 . . . . 0.0 109.606 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 37.4 p -47.74 -24.9 1.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 -179.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 58.8 m -59.98 -39.98 87.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.077 -1.015 . . . . 0.0 108.698 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -65.59 -40.03 92.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.155 -0.965 . . . . 0.0 108.456 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.467 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 77.1 t60 -59.97 -40.02 87.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.447 -0.783 . . . . 0.0 109.359 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.77 -31.3 69.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 108.742 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 53.0 tttm -59.44 -37.96 79.45 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.209 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.8 -27.41 66.72 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.721 -0.612 . . . . 0.0 110.0 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.57 -24.76 67.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.67 -1.269 . . . . 0.0 109.976 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.631 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.71 -36.88 26.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.729 -1.232 . . . . 0.0 109.492 -179.202 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.631 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -72.54 -38.15 68.07 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 179.284 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 77.1 p -59.99 -27.38 66.8 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.474 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.546 -0.721 . . . . 0.0 . 179.397 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 60.58 18.07 8.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.45 -0.781 . . . . 0.0 109.195 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.27 14.03 0.49 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 1' ' ' SER . 53.9 tp -59.93 -37.28 79.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.586 -0.696 . . . . 0.0 110.906 -178.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.09 86.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.3 mppt? -69.95 -37.45 75.83 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.55 85.16 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.723 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.1 mtt -62.91 -39.89 95.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.041 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.02 -39.9 86.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.66 93.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.948 -0.47 . . . . 0.0 111.319 -178.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.32 -40.03 85.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.661 -1.274 . . . . 0.0 108.127 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.89 -38.78 79.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.739 -0.6 . . . . 0.0 110.694 -179.474 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.1 -45.6 92.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.856 -1.152 . . . . 0.0 111.293 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -39.71 77.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 121.77 0.795 . . . . 0.0 110.256 -177.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.62 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 58.5 t80 -59.54 -39.9 85.45 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.54 -25.15 67.32 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.278 -0.889 . . . . 0.0 110.417 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -62.22 -42.96 99.78 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.607 -1.308 . . . . 0.0 109.73 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -89.68 -41.7 11.78 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.809 -1.182 . . . . 0.0 112.166 -179.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -62.52 -41.77 99.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.986 -1.071 . . . . 0.0 111.065 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -7.18 88.75 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' NH1' ' CD ' ' A' ' 34' ' ' GLU . 43.2 ttm180 -60.13 -47.05 87.55 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.199 -1.177 . . . . 0.0 109.449 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.02 174.8 5.9 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.586 0.708 . . . . 0.0 110.059 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -49.33 -26.93 7.26 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.633 -0.667 . . . . 0.0 111.867 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.01 48.33 0.05 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.551 -1.558 . . . . 0.0 109.492 -179.285 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' GLY . 9.9 ttmm -63.81 -40.91 97.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.11 -0.993 . . . . 0.0 111.101 -179.269 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -91.35 2.91 56.05 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.989 -1.069 . . . . 0.0 111.089 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -148.62 160.21 43.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.85 -1.156 . . . . 0.0 109.78 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -109.29 122.74 48.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' SER . 60.2 tttp -102.23 144.16 31.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.61 -1.306 . . . . 0.0 110.153 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HZ2' ' HB ' ' A' ' 53' ' ' VAL . 53.3 tttp -39.29 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.451 0.644 . . . . 0.0 109.38 178.571 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.5 m -77.94 -49.96 13.12 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HB2' HD13 ' A' ' 27' ' ' LEU . 58.0 mt-10 -64.03 -34.69 78.59 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.86 -44.69 93.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.709 -0.619 . . . . 0.0 109.514 -179.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -66.05 -39.56 90.23 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.245 -0.909 . . . . 0.0 111.518 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.501 ' CD ' ' NH1' ' A' ' 20' ' ' ARG . 20.9 tt0 -69.04 -31.77 70.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.817 -1.177 . . . . 0.0 109.398 -177.17 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD23 ' C ' ' A' ' 35' ' ' LEU . 6.1 tt -68.51 -51.6 41.3 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.14 -0.975 . . . . 0.0 108.388 178.083 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.84 -46.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 O-C-N 121.511 -0.743 . . . . 0.0 111.198 -178.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.1 -40.15 75.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.952 -1.093 . . . . 0.0 112.121 -178.078 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -36.88 9.88 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.761 ' O ' HD23 ' A' ' 40' ' ' LEU . 22.2 tt0 -81.32 -12.13 59.13 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.335 -1.478 . . . . 0.0 109.653 -178.028 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 39' ' ' GLU . 6.5 mt -139.0 56.01 1.7 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.337 -0.852 . . . . 0.0 108.788 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 m -60.13 -40.14 88.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -0.818 . . . . 0.0 110.58 -179.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -125.22 -20.71 4.78 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.419 -0.8 . . . . 0.0 110.745 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -66.77 -38.44 86.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.786 -1.196 . . . . 0.0 109.508 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.9 tp -126.32 158.17 36.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -53.07 109.22 0.4 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.034 -1.041 . . . . 0.0 109.03 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.85 140.77 56.37 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -102.21 131.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.267 -0.896 . . . . 0.0 109.482 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -109.42 -20.76 12.79 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.425 -0.797 . . . . 0.0 110.556 -178.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 57.4 mp0 -110.83 143.27 41.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.052 -1.03 . . . . 0.0 110.612 -178.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 5.8 mm100 -69.88 -20.05 63.4 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.583 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.85 -38.93 92.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -0.893 . . . . 0.0 111.064 -178.083 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.87 -38.52 82.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 109.055 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' HB ' ' HZ2' ' A' ' 29' ' ' LYS . 47.0 t -69.41 -34.6 63.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.704 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . 46.2 t0 -66.59 -38.26 86.65 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.274 -0.891 . . . . 0.0 109.459 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' NZ ' ' NE2' ' X' ' 105' ' ' HIS . 79.9 tttt -67.6 -39.94 84.76 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.65 -33.84 65.9 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.8 mmm -68.93 -31.5 70.43 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.82 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -55.37 -36.67 66.6 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 119.87 -1.769 . . . . 0.0 106.697 178.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.2 m -79.76 -46.5 16.9 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.4 mt -87.28 -14.83 39.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.832 -1.167 . . . . 0.0 110.695 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 56.5 t0 -80.79 58.36 3.31 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 74.6 mt-10 -58.05 -39.53 78.69 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.097 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.38 -16.56 62.98 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.59 28.6 73.07 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 47.1 p-10 -107.87 10.14 28.65 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.305 -1.115 . . . . 0.0 110.185 -179.691 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.528 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 75.22 6.55 80.2 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 84.9 mt-10 -134.32 133.05 40.27 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.58 124.9 48.98 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 42.0 t0 -62.91 161.66 12.5 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.429 -179.484 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.7 p90 -54.32 -31.32 53.96 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -62.3 -45.52 92.87 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.756 0.788 . . . . 0.0 109.037 177.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 36.9 mt-10 -64.73 -40.12 94.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.326 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -68.02 -28.71 67.65 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.003 -1.06 . . . . 0.0 109.153 179.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -38.56 82.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.36 -0.837 . . . . 0.0 109.482 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -68.94 -33.61 74.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.964 -1.085 . . . . 0.0 110.433 -178.516 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' HG21 ' A' ' 80' ' ' VAL . 90.6 t80 -59.9 -40.05 87.47 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.02 -1.05 . . . . 0.0 109.709 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -60.54 -37.81 76.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.754 -0.591 . . . . 0.0 110.43 -179.067 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 22.7 p -64.11 -40.05 95.38 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.232 -178.541 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mtm -71.45 -44.09 65.46 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.364 -178.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 76' ' ' PHE . 46.2 t -62.62 -36.85 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.65 -1.281 . . . . 0.0 110.37 -178.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.4 m -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -52.2 -40.75 61.98 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.288 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.0 84.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.203 -0.936 . . . . 0.0 108.925 178.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 m -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.78 . . . . 0.0 109.4 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -59.82 -40.12 87.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.133 -0.979 . . . . 0.0 109.21 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.08 -39.9 87.69 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.2 -37.98 27.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.584 -0.698 . . . . 0.0 109.765 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -80.76 60.94 4.23 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.535 -0.728 . . . . 0.0 109.253 -179.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.628 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 1.3 pm0 -57.0 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.948 -1.095 . . . . 0.0 108.985 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.03 -43.22 95.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.181 -0.949 . . . . 0.0 109.952 -179.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.488 -0.758 . . . . 0.0 . -179.915 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.474 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.6 m 59.98 18.62 7.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.17 -0.956 . . . . 0.0 109.215 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -74.88 14.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' B' ' 1' ' ' SER . 51.8 tp -59.92 -37.61 79.97 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.58 -0.7 . . . . 0.0 110.78 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -39.72 86.78 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.942 -1.099 . . . . 0.0 110.561 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.496 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.4 mppt? -69.85 -36.9 75.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.139 -0.976 . . . . 0.0 109.857 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.08 81.61 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.215 -0.928 . . . . 0.0 110.741 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.3 mtt -63.07 -39.99 96.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.831 -1.168 . . . . 0.0 108.767 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.51 -39.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.89 92.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.761 -0.587 . . . . 0.0 111.373 -178.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.79 -39.92 86.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.65 -1.281 . . . . 0.0 108.116 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.81 -39.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.793 -0.567 . . . . 0.0 110.453 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.7 -46.54 90.01 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.921 -1.112 . . . . 0.0 111.47 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -39.2 77.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 CA-C-O 121.796 0.807 . . . . 0.0 110.534 -177.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.609 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 56.7 t80 -59.86 -39.9 86.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.306 -0.871 . . . . 0.0 108.993 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.59 -25.19 67.29 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.41 -42.52 99.5 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.597 -1.314 . . . . 0.0 109.797 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -89.83 -42.3 11.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.706 -1.246 . . . . 0.0 112.09 -179.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -61.67 -42.59 99.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.014 -1.054 . . . . 0.0 111.071 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.87 -6.73 88.98 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.504 ' NH1' ' CD ' ' B' ' 34' ' ' GLU . 43.1 ttm180 -60.02 -47.22 86.74 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.222 -1.164 . . . . 0.0 109.407 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.95 174.69 5.96 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 121.624 0.726 . . . . 0.0 110.082 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -49.24 -26.89 6.96 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.613 -0.679 . . . . 0.0 111.776 -178.632 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.75 46.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.61 -1.524 . . . . 0.0 109.469 -179.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 22' ' ' GLY . 13.2 ttmm -62.93 -41.03 99.34 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.083 -1.01 . . . . 0.0 111.083 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -90.64 1.89 56.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.235 -178.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -147.82 160.3 42.91 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.877 -1.139 . . . . 0.0 109.987 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.609 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -109.31 122.81 48.16 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' B' ' 30' ' ' SER . 59.1 tttp -102.69 144.1 31.5 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.547 -1.346 . . . . 0.0 110.116 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' B' ' 50' ' ' GLN . 53.2 tttp -39.1 -23.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.424 0.63 . . . . 0.0 109.359 178.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.552 ' N ' ' O ' ' B' ' 28' ' ' LYS . 57.8 m -77.81 -49.11 14.98 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 28' ' ' LYS . 56.4 mt-10 -64.31 -35.36 80.59 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.96 -44.59 94.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.735 -0.603 . . . . 0.0 109.412 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -65.87 -39.88 91.12 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.202 -0.936 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.504 ' CD ' ' NH1' ' B' ' 20' ' ' ARG . 17.5 tt0 -68.71 -31.84 71.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.887 -1.133 . . . . 0.0 109.413 -177.128 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.691 HD23 ' C ' ' B' ' 35' ' ' LEU . 6.9 tt -68.42 -51.72 40.72 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.232 -0.918 . . . . 0.0 108.603 178.3 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -68.07 -45.98 82.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 111.023 -177.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -69.99 -40.14 75.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.955 -1.091 . . . . 0.0 112.1 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.65 -36.39 9.88 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.017 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.683 ' O ' HD23 ' B' ' 40' ' ' LEU . 23.9 tt0 -81.27 -12.48 59.08 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.217 -1.552 . . . . 0.0 109.535 -178.196 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.683 HD23 ' O ' ' B' ' 39' ' ' GLU . 6.3 mt -138.57 56.13 1.72 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.6 m -60.16 -40.0 88.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 110.641 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -125.6 -20.05 4.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.437 -0.79 . . . . 0.0 110.755 -178.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.1 -38.47 85.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.81 -1.181 . . . . 0.0 109.442 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 49.1 tp -126.35 158.14 36.64 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -53.08 109.34 0.41 Allowed 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.025 -1.047 . . . . 0.0 109.128 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.92 140.74 56.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.6 mt -102.13 131.01 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.296 -0.877 . . . . 0.0 109.583 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -108.71 -20.87 12.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.457 -0.777 . . . . 0.0 110.548 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.3 mp0 -111.24 143.27 42.27 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.124 -0.985 . . . . 0.0 110.781 -178.664 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.451 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . 5.1 mm100 -69.9 -20.09 63.38 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.12 -38.45 90.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 0.0 111.052 -178.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.2 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 109.009 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' HZ2' ' B' ' 29' ' ' LYS . 45.5 t -69.07 -35.27 67.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.432 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' HZ3' ' B' ' 29' ' ' LYS . 46.4 t0 -66.21 -38.34 87.72 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 109.377 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.655 ' NZ ' ' NE2' ' Y' ' 105' ' ' HIS . 82.1 tttt -67.57 -40.01 84.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -179.841 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.53 -33.31 62.14 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 178.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.554 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.9 mmm -69.46 -31.07 69.13 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.93 -179.595 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -55.88 -36.3 67.46 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 119.985 -1.697 . . . . 0.0 106.518 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -79.83 -46.35 17.05 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.3 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 29.3 mt -87.73 -14.99 38.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.849 -1.157 . . . . 0.0 110.793 -178.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.1 t0 -80.45 58.43 3.16 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.51 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 73.8 mt-10 -58.17 -39.24 78.38 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.57 -15.7 62.79 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 28.51 73.28 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.4 p-10 -108.1 10.2 28.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.207 -1.172 . . . . 0.0 110.022 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.496 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.68 6.66 78.05 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.638 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 86.2 mt-10 -134.09 132.99 40.6 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.36 124.35 47.78 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.058 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.5 t0 -61.95 162.05 9.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.121 -0.987 . . . . 0.0 108.459 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 p90 -55.33 -30.46 60.28 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -62.76 -45.74 91.27 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.731 0.777 . . . . 0.0 108.921 177.346 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.51 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 36.4 mt-10 -64.46 -40.12 95.1 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 110.348 -179.18 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -67.43 -29.17 68.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.878 -1.139 . . . . 0.0 109.355 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -38.82 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.567 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.407 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.42 -33.39 74.13 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.25 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' B' ' 80' ' ' VAL . 90.4 t80 -60.04 -40.0 87.87 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.0 -1.063 . . . . 0.0 109.732 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -37.32 75.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.799 -0.563 . . . . 0.0 110.406 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 19.2 p -64.86 -40.23 94.81 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.066 -1.021 . . . . 0.0 110.008 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.72 -45.04 65.62 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.079 -1.048 . . . . 0.0 111.292 -178.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' B' ' 76' ' ' PHE . 42.3 t -61.88 -36.96 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.455 -1.403 . . . . 0.0 110.476 -178.741 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -39.92 87.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 108.209 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -40.6 62.68 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.32 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.39 84.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 108.828 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.97 -39.05 84.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 0.0 109.473 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.82 -40.19 87.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.073 -1.017 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.61 86.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -81.42 -38.38 26.6 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.578 0.704 . . . . 0.0 109.785 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -80.45 60.82 3.98 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.62 -0.675 . . . . 0.0 109.255 -179.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.641 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 1.4 pm0 -56.66 99.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -60.12 -43.44 95.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 110.087 -179.365 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.4 -0.812 . . . . 0.0 . 179.956 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -75.47 153.31 37.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.131 -0.981 . . . . 0.0 109.458 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.88 -39.82 86.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.095 -1.003 . . . . 0.0 108.776 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt 55.42 53.89 9.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.52 -0.737 . . . . 0.0 109.098 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -67.2 -8.66 33.13 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.359 -0.838 . . . . 0.0 109.311 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? 65.02 47.37 2.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.848 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -92.44 127.85 38.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.843 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.59 -170.23 50.02 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -135.72 139.76 43.87 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.376 -1.073 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 50.2 m -68.3 -24.75 64.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.235 -0.916 . . . . 0.0 109.001 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.592 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 4.3 m -48.25 -29.01 3.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.069 -1.02 . . . . 0.0 109.118 -179.344 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -48.08 -24.61 1.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.241 -0.912 . . . . 0.0 109.947 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.22 -39.37 75.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.139 -0.976 . . . . 0.0 109.66 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.592 ' ND1' ' O ' ' X' ' 102' ' ' THR . 19.3 p-80 -58.02 -39.66 78.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.914 -1.117 . . . . 0.0 109.187 -179.681 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' X' ' 105' ' ' HIS . 15.7 ttmt -58.64 -32.33 68.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.29 -0.881 . . . . 0.0 109.96 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -59.84 -48.32 82.16 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.153 -0.967 . . . . 0.0 109.361 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.429 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 12.9 tp -70.0 -26.24 63.98 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.927 -1.108 . . . . 0.0 110.454 -179.659 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -58.38 -24.28 59.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.593 -1.317 . . . . 0.0 109.841 -179.725 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' X' ' 109' ' ' MET . 0.3 OUTLIER -40.25 -35.53 0.42 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.326 -0.859 . . . . 0.0 109.519 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.441 ' CG ' ' CZ ' ' X' ' 110' ' ' PHE . 8.6 mtmm -80.35 -37.34 32.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.239 -0.913 . . . . 0.0 109.427 177.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.516 ' N ' ' O ' ' X' ' 109' ' ' MET . 67.8 p -59.72 -30.86 69.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.808 -0.557 . . . . 0.0 . 178.869 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.298 0.571 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -75.4 153.63 37.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.207 -0.933 . . . . 0.0 109.656 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -39.69 87.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.118 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt 55.41 53.31 10.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.539 -0.726 . . . . 0.0 109.149 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 50.7 m -66.79 -9.61 38.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.42 -0.8 . . . . 0.0 109.313 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? 66.49 45.6 2.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.251 -0.905 . . . . 0.0 108.893 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -89.98 127.41 36.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.395 -0.815 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.41 -170.37 50.47 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -135.41 140.13 44.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.998 . . . . 0.0 109.245 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 57.4 m -68.7 -24.83 64.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.592 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 3.7 m -48.42 -28.74 3.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.093 -1.005 . . . . 0.0 109.134 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -48.18 -24.59 1.19 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.763 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.81 -39.73 74.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 109.972 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.655 ' NE2' ' NZ ' ' B' ' 55' ' ' LYS . 20.4 p-80 -58.16 -39.57 79.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.951 -1.093 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' Y' ' 105' ' ' HIS . 15.8 ttmt -58.53 -32.25 68.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.0 109.893 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -59.59 -48.71 80.59 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.342 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.452 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 12.3 tp -70.02 -25.65 63.68 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.993 -1.067 . . . . 0.0 110.396 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -24.31 62.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.475 -1.39 . . . . 0.0 109.857 -179.778 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' Y' ' 109' ' ' MET . 0.4 OUTLIER -39.91 -35.48 0.36 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.338 -0.851 . . . . 0.0 109.56 -179.386 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.454 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 9.0 mtmm -80.44 -37.43 32.01 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.266 -0.896 . . . . 0.0 109.532 177.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.512 ' N ' ' O ' ' Y' ' 109' ' ' MET . 72.1 p -60.11 -30.24 69.13 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.703 -0.623 . . . . 0.0 . 178.585 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.407 ' C ' ' N ' ' A' ' 2' ' ' GLU . 27.6 ttt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 3' ' ' LEU . 47.5 t 50.8 14.67 0.19 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 109.647 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 0' ' ' MET . 97.8 mt-10 -75.93 17.41 0.33 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.141 -0.974 . . . . 0.0 108.879 178.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -65.41 -29.42 70.12 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.683 -179.049 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -72.68 -36.41 67.88 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.028 -1.045 . . . . 0.0 110.063 -179.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -34.01 67.29 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.202 -0.936 . . . . 0.0 108.648 -179.122 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.26 71.66 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.9 -0.5 . . . . 0.0 111.275 -178.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.7 mtt -62.93 -39.91 96.02 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.898 -1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.17 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-O 121.381 0.61 . . . . 0.0 109.719 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.66 87.22 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.67 -0.644 . . . . 0.0 111.648 -178.496 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.95 -40.1 87.83 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.569 -1.332 . . . . 0.0 108.193 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.8 -37.65 78.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 O-C-N 121.848 -0.532 . . . . 0.0 110.354 179.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.05 -47.86 84.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.986 -1.071 . . . . 0.0 111.628 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -40.11 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.909 -1.119 . . . . 0.0 110.5 -178.245 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.442 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 71.5 t80 -58.36 -36.57 73.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 108.91 -179.49 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -69.79 -27.19 64.7 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.455 -0.778 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -60.31 -42.2 95.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.636 -1.29 . . . . 0.0 110.281 -179.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -92.98 -37.88 11.97 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.696 -1.253 . . . . 0.0 112.104 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.442 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 57.9 m -60.03 -40.0 87.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.981 -1.075 . . . . 0.0 110.303 -178.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.22 -8.09 88.04 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.04 -47.11 87.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.964 -1.315 . . . . 0.0 109.06 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 97.9 mt-10 -114.97 159.84 20.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.39 -15.09 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.4 m-20 -74.5 57.92 0.74 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.726 -1.455 . . . . 0.0 109.807 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -68.55 -46.09 70.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.954 -1.091 . . . . 0.0 109.498 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.23 -19.98 49.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.565 -0.709 . . . . 0.0 111.432 -178.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.5 pttp -134.6 159.23 41.85 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.971 -1.081 . . . . 0.0 109.274 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.7 tp -120.06 130.83 54.87 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.358 -0.839 . . . . 0.0 108.756 -178.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' SER . 48.3 mtmt -94.08 153.49 18.11 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.697 -1.252 . . . . 0.0 110.032 -179.53 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -49.95 -22.9 1.71 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 28' ' ' LYS . 47.3 t -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 41.0 mt-10 -60.21 -37.92 81.78 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.99 -41.7 92.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.913 -0.492 . . . . 0.0 109.756 -179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.87 -39.91 90.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.048 -1.033 . . . . 0.0 110.49 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.3 mp0 -65.53 -37.02 85.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.071 -1.018 . . . . 0.0 109.039 -179.042 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.53 -50.9 65.51 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.005 -1.059 . . . . 0.0 109.686 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' A' ' 47' ' ' ILE . 95.3 mt -69.97 -43.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.511 -0.743 . . . . 0.0 111.998 -177.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.78 -39.96 76.33 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.35 -35.95 9.42 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.578 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.5 tp10 -83.12 -10.81 58.47 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.092 -1.63 . . . . 0.0 110.224 -177.468 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 39' ' ' GLU . 8.4 mt -137.19 43.23 2.36 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.249 -0.907 . . . . 0.0 108.637 179.177 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -60.0 -40.94 90.94 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 111.749 -178.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -120.12 -22.17 6.75 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.124 -0.985 . . . . 0.0 110.455 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -68.24 -37.84 81.21 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 tp -131.89 160.16 36.53 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 7.2 pt-20 -52.63 110.63 0.53 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.995 -1.066 . . . . 0.0 108.956 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.75 135.15 57.49 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.413 -0.804 . . . . 0.0 108.907 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' A' ' 36' ' ' ILE . 69.1 mt -80.52 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.706 -1.247 . . . . 0.0 107.658 178.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.88 -23.5 10.96 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.057 -177.018 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -123.66 141.87 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.955 0.883 . . . . 0.0 111.242 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.48 -29.19 68.91 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -39.96 88.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.376 -0.828 . . . . 0.0 110.735 -178.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.75 -39.84 83.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 120.641 -1.287 . . . . 0.0 108.33 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.01 -38.18 80.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 47.1 t0 -65.05 -36.97 86.04 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.467 0.651 . . . . 0.0 109.862 -179.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -67.57 -40.0 84.89 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 t -66.66 -34.19 68.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.618 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.9 mmm -70.57 -24.13 62.72 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -39.99 87.43 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 178.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.8 m -82.57 -36.86 25.84 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.417 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 76' ' ' PHE . 1.6 mp -87.76 -18.8 28.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.191 -0.943 . . . . 0.0 110.694 -178.09 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.2 t0 -80.17 60.32 3.63 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.631 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 76.1 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.154 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.22 -12.69 60.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.79 29.16 72.65 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.5 p-10 -106.96 1.36 24.43 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.184 -1.186 . . . . 0.0 110.21 -179.431 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.611 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.0 5.55 89.52 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.256 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 68.7 mt-10 -134.67 136.92 43.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.39 129.23 50.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.923 -1.111 . . . . 0.0 108.522 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.3 t70 -73.7 170.1 15.95 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.643 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 11.1 t80 -50.98 -39.99 56.74 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -60.77 -49.94 75.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 0.0 110.094 178.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 41.7 mt-10 -61.45 -40.09 93.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.041 . . . . 0.0 110.43 -178.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.22 -35.41 80.98 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.527 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.7 tpp -59.81 -38.69 82.67 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.296 -178.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.47 68.05 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.484 -1.385 . . . . 0.0 110.809 -178.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 60' ' ' LEU . 39.6 t80 -67.51 -26.03 66.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.996 -1.065 . . . . 0.0 110.574 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -31.89 17.95 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.293 -0.88 . . . . 0.0 108.664 -179.413 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.572 ' HG ' ' CB ' ' B' ' 78' ' ' SER . 0.9 OUTLIER -68.88 -44.84 72.42 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.806 -0.559 . . . . 0.0 110.473 -178.847 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -42.19 73.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.533 -1.355 . . . . 0.0 111.344 -178.711 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.07 -35.11 74.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.861 -1.149 . . . . 0.0 109.283 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.89 -40.01 87.32 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.997 0.904 . . . . 0.0 108.669 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.11 -39.09 68.98 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 -179.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.03 78.64 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.7 t -59.11 -35.81 74.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.586 -0.696 . . . . 0.0 109.449 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.83 -40.01 87.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.931 -1.106 . . . . 0.0 108.98 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.68 -39.91 95.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.679 179.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -84.03 -39.1 20.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.485 -0.759 . . . . 0.0 109.103 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' CYS . 3.0 t80 -90.21 70.03 7.19 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 89' ' ' GLU . 4.5 pt-20 -79.66 98.39 6.93 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 108.566 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.89 -40.03 87.37 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.178 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.298 -0.876 . . . . 0.0 . 179.886 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.422 ' C ' ' N ' ' B' ' 2' ' ' GLU . 28.3 ttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 3' ' ' LEU . 47.5 t 50.99 14.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -0.934 . . . . 0.0 109.701 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' B' ' 0' ' ' MET . 98.2 mt-10 -75.46 17.24 0.29 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.937 . . . . 0.0 108.859 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.8 OUTLIER -64.86 -29.84 70.82 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 -179.195 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.25 -36.42 69.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.016 -1.052 . . . . 0.0 110.116 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -33.86 67.18 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.25 -0.907 . . . . 0.0 108.736 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.12 -43.24 71.41 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.885 -0.509 . . . . 0.0 111.235 -178.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.005 -1.059 . . . . 0.0 109.541 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.26 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.36 0.6 . . . . 0.0 109.58 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.71 87.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.683 . . . . 0.0 111.646 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.89 -40.03 87.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.49 -1.381 . . . . 0.0 108.235 -179.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.69 -37.88 79.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.84 -0.538 . . . . 0.0 110.411 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.04 -47.78 84.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.01 -1.056 . . . . 0.0 111.624 -178.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.97 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.931 -1.106 . . . . 0.0 110.592 -178.29 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' OG ' ' B' ' 18' ' ' SER . 71.1 t80 -58.45 -36.49 73.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.048 -1.033 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.9 -27.31 64.69 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.45 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -60.08 -42.42 94.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.643 -1.286 . . . . 0.0 110.244 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.71 -37.8 12.17 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 120.749 -1.22 . . . . 0.0 112.182 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.457 ' OG ' ' CZ ' ' B' ' 14' ' ' PHE . 57.1 m -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 110.25 -178.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -8.01 88.08 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -59.95 -47.36 86.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.962 -1.316 . . . . 0.0 109.019 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -114.88 160.09 19.9 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.563 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.27 -15.27 0.04 OUTLIER Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 1.3 m-20 -74.7 58.06 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.635 -1.509 . . . . 0.0 109.825 -179.233 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -68.75 -46.22 69.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.885 -1.134 . . . . 0.0 109.484 179.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -78.97 -19.98 50.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 111.412 -178.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.4 pttp -134.52 159.19 41.91 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.89 -1.131 . . . . 0.0 109.229 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -120.06 130.69 54.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 30' ' ' SER . 49.4 mtmt -93.67 153.34 18.42 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.645 -1.284 . . . . 0.0 110.203 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -49.95 -22.54 1.58 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.432 ' N ' ' C ' ' B' ' 28' ' ' LYS . 47.6 t -74.79 -54.05 8.04 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.425 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 41.1 mt-10 -60.13 -37.84 81.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.766 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.96 -40.05 91.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.192 -0.942 . . . . 0.0 110.404 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' B' ' 30' ' ' SER . 3.3 mp0 -65.22 -36.85 85.43 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.12 -0.988 . . . . 0.0 109.151 -179.14 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.8 -50.66 65.87 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.893 -1.129 . . . . 0.0 109.836 179.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.07 -43.37 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.556 -0.715 . . . . 0.0 111.863 -177.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.466 -178.064 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.47 -35.57 9.51 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.606 ' O ' HD23 ' B' ' 40' ' ' LEU . 10.8 tp10 -83.22 -10.62 58.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.178 -1.576 . . . . 0.0 110.175 -177.527 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.606 HD23 ' O ' ' B' ' 39' ' ' GLU . 8.3 mt -137.72 43.42 2.26 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.197 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -60.11 -41.01 91.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 111.616 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -119.96 -22.3 6.79 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.091 -1.006 . . . . 0.0 110.48 -179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -67.83 -38.16 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.076 -1.015 . . . . 0.0 109.49 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -131.71 160.17 36.27 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 7.1 pt-20 -52.54 110.29 0.49 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.994 -1.067 . . . . 0.0 108.864 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -61.61 135.08 57.51 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 108.962 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.5 139.64 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.652 -1.28 . . . . 0.0 107.805 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.438 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.61 -23.51 11.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.569 -0.707 . . . . 0.0 111.111 -176.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.74 141.64 51.84 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.995 0.902 . . . . 0.0 111.162 -178.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.39 -29.24 68.83 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -39.84 87.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.287 -0.883 . . . . 0.0 110.808 -178.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -60.66 -40.04 83.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.719 -1.238 . . . . 0.0 108.361 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.09 -38.03 79.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 46.7 t0 -65.14 -36.57 84.68 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.545 0.688 . . . . 0.0 109.924 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.8 -40.02 83.95 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.74 -34.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.626 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.8 mmm -70.79 -24.17 62.53 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -40.03 87.46 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.0 m -82.56 -36.93 25.83 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.307 178.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' B' ' 76' ' ' PHE . 1.6 mp -87.79 -18.45 29.34 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.262 -0.899 . . . . 0.0 110.761 -178.079 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.626 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.4 t0 -80.41 60.35 3.79 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 77.3 mt-10 -60.0 -39.9 87.35 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.58 -12.4 60.75 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.425 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.56 29.28 72.88 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.5 p-10 -107.09 1.39 24.18 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.22 -1.165 . . . . 0.0 110.232 -179.463 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.604 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 80.05 5.32 89.64 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -179.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.439 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.0 mt-10 -134.49 136.94 43.51 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.53 128.87 50.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.877 -1.139 . . . . 0.0 108.466 179.713 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.4 t70 -73.42 169.77 16.48 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.386 -0.821 . . . . 0.0 109.742 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.8 t80 -50.6 -40.08 51.68 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -60.71 -49.93 75.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 0.0 110.122 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 40.3 mt-10 -61.38 -39.98 92.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.046 -1.034 . . . . 0.0 110.529 -178.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -65.59 -35.21 80.16 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 109.377 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.527 ' O ' ' SD ' ' B' ' 74' ' ' MET . 4.6 tpp -60.02 -38.51 82.9 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.264 -178.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.31 67.7 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.518 -1.364 . . . . 0.0 110.818 -178.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.551 ' HB2' HD21 ' B' ' 60' ' ' LEU . 40.1 t80 -67.41 -26.02 66.23 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.926 -1.108 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -77.71 -31.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 O-C-N 121.174 -0.954 . . . . 0.0 108.735 -179.24 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.572 ' CB ' ' HG ' ' A' ' 78' ' ' SER . 0.9 OUTLIER -68.75 -44.89 72.81 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.785 -0.572 . . . . 0.0 110.547 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -42.66 73.05 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.783 -1.198 . . . . 0.0 111.204 -178.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.83 -35.06 74.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.823 -1.173 . . . . 0.0 109.221 -179.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -40.02 87.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 122.044 0.926 . . . . 0.0 108.827 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -55.37 -38.93 69.48 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.85 78.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.049 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.3 -35.52 73.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.579 -0.7 . . . . 0.0 109.338 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.99 -40.1 87.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.795 -1.19 . . . . 0.0 108.996 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.56 -40.04 95.57 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.181 -0.95 . . . . 0.0 109.401 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -84.01 -39.49 19.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.133 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -89.87 70.2 7.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' B' ' 89' ' ' GLU . 4.1 pt-20 -79.64 98.48 6.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.067 -1.02 . . . . 0.0 108.462 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.13 -39.95 88.06 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.222 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 0.0 . 179.791 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -131.76 110.41 10.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.514 -0.741 . . . . 0.0 109.514 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.497 ' N ' HD12 ' X' ' 94' ' ' LEU . 9.4 mp -101.75 141.46 34.58 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.552 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -99.67 90.86 4.62 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.232 -0.917 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -150.73 32.21 0.63 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.927 . . . . 0.0 109.013 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.81 149.83 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.751 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -75.1 165.43 25.24 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.456 -0.778 . . . . 0.0 109.41 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.3 151.53 22.54 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -142.57 169.97 16.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.34 -1.094 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.51 ' O ' ' N ' ' X' ' 103' ' ' SER . 60.6 m -49.93 -28.7 7.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.564 -179.812 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.417 ' C ' ' O ' ' X' ' 101' ' ' SER . 14.6 t -40.79 -24.45 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.52 -0.738 . . . . 0.0 109.757 179.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.51 ' N ' ' O ' ' X' ' 101' ' ' SER . 67.4 m -45.36 -24.49 0.3 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.368 -0.833 . . . . 0.0 108.855 178.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.419 ' O ' ' OE2' ' A' ' 45' ' ' GLU . 57.2 mtt-85 -53.3 -35.44 60.12 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 6.0 p80 -58.53 -37.18 75.1 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.885 -1.134 . . . . 0.0 108.369 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.62 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 81.5 tttt -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.094 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 44.4 tp -65.36 -32.61 74.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.684 -0.635 . . . . 0.0 110.203 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -60.05 -24.58 64.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.049 -1.032 . . . . 0.0 110.849 -178.561 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.595 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.3 OUTLIER -49.65 -35.66 22.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.541 -1.349 . . . . 0.0 109.176 -178.826 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.595 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -78.59 -35.73 45.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.032 -1.042 . . . . 0.0 109.911 178.666 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 55.6 p -58.23 -34.33 70.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.006 -1.059 . . . . 0.0 108.632 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 58.4 mm-40 . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.386 -0.822 . . . . 0.0 . 179.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -131.72 110.53 10.95 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.461 -0.774 . . . . 0.0 109.595 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.486 ' N ' HD12 ' Y' ' 94' ' ' LEU . 9.4 mp -101.86 141.36 34.82 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.492 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -99.62 90.45 4.49 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.363 -0.836 . . . . 0.0 109.828 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 40.9 m -150.4 32.45 0.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 108.967 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.94 149.67 47.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.318 -0.864 . . . . 0.0 109.868 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -74.87 165.23 25.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.45 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.45 151.29 23.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.2 170.07 16.4 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.341 -1.094 . . . . 0.0 109.633 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.499 ' O ' ' N ' ' Y' ' 103' ' ' SER . 56.8 m -50.02 -28.2 6.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 0.0 109.505 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.429 ' C ' ' O ' ' Y' ' 101' ' ' SER . 14.5 t -41.05 -24.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.552 -0.718 . . . . 0.0 109.629 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.499 ' N ' ' O ' ' Y' ' 101' ' ' SER . 74.2 m -45.11 -24.6 0.26 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' Y' ' 102' ' ' THR . 57.0 mtt-85 -53.52 -35.52 60.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 109.067 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.621 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 6.4 p80 -58.35 -36.89 74.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.825 -1.172 . . . . 0.0 108.487 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.621 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 83.0 tttt -60.03 -28.74 68.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.97 -40.0 83.44 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 179.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.75 -32.16 73.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.735 -0.603 . . . . 0.0 110.197 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -59.97 -24.62 64.56 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.035 -1.041 . . . . 0.0 110.779 -178.787 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -49.86 -35.21 22.43 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.476 -1.39 . . . . 0.0 109.418 -178.646 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -79.52 -34.29 41.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.869 178.888 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 45.3 p -59.96 -33.25 71.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.993 -1.067 . . . . 0.0 108.482 -179.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 58.0 mm-40 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.447 -0.783 . . . . 0.0 . 178.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.219 0.533 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m 55.76 39.94 30.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -72.76 -13.44 61.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.565 -0.71 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -43.27 -21.45 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.27 -0.894 . . . . 0.0 110.444 -178.369 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' GLU . 87.7 tt0 -70.07 -40.16 75.2 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.458 179.183 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 2' ' ' GLU . 28.5 ttpt -79.35 -46.52 17.48 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.876 -0.515 . . . . 0.0 110.697 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -65.04 -48.51 73.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.361 -0.837 . . . . 0.0 111.41 -178.093 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.3 mtt -60.05 -40.02 88.0 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 -178.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 4' ' ' GLU . 54.6 t -64.21 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.67 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -68.25 -34.61 76.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 111.525 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.92 -39.94 87.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.463 -1.398 . . . . 0.0 107.671 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.65 -40.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.814 -0.554 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -61.73 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.753 -1.217 . . . . 0.0 111.609 -178.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.59 -33.51 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.804 -1.185 . . . . 0.0 110.275 -178.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' A' ' 18' ' ' SER . 65.0 t80 -59.86 -40.03 87.24 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.49 -1.381 . . . . 0.0 108.882 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -76.73 -22.16 54.25 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -54.6 -44.43 73.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.269 -0.894 . . . . 0.0 110.765 -178.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' HD12 ' A' ' 35' ' ' LEU . 16.0 p90 -118.31 -24.5 6.88 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 121.108 -0.995 . . . . 0.0 111.344 -179.199 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 48.3 m -60.09 -40.2 88.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.614 -1.304 . . . . 0.0 109.39 -179.574 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.94 2.8 63.31 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 70.2 ttt180 -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.161 -1.199 . . . . 0.0 108.41 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 99.5 mt-10 -114.13 163.17 15.56 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.425 0.631 . . . . 0.0 109.381 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.41 -19.22 0.03 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 69.4 m-20 -77.94 85.05 4.2 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.773 -1.428 . . . . 0.0 109.853 -179.216 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -94.35 -42.45 8.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.405 -0.809 . . . . 0.0 110.284 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -92.89 0.12 57.34 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.146 -0.971 . . . . 0.0 110.246 -178.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -139.96 157.02 46.35 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -122.91 117.77 26.34 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.418 -0.801 . . . . 0.0 109.766 -178.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.4 mtmp? -90.46 149.81 22.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.675 -1.266 . . . . 0.0 108.449 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -44.37 -21.74 0.05 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' LYS . 85.7 p -70.61 -49.49 47.09 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.778 -179.437 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.64 -33.48 74.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.974 -1.079 . . . . 0.0 108.858 179.211 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.96 -40.98 90.89 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -62.41 -39.98 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.592 -0.693 . . . . 0.0 109.622 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 77.2 mm-40 -60.58 -39.99 90.06 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 110.294 -179.027 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -70.02 -44.37 69.43 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.707 -1.246 . . . . 0.0 109.065 179.675 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' N ' HD23 ' A' ' 35' ' ' LEU . 88.8 mt -70.03 -41.24 79.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.174 -0.954 . . . . 0.0 112.461 -177.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -84.08 -32.87 24.55 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.343 -1.473 . . . . 0.0 111.771 -178.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.01 -36.72 8.91 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.64 -17.76 33.02 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.319 -1.488 . . . . 0.0 110.537 -177.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.05 58.86 0.65 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.358 -0.838 . . . . 0.0 109.092 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -60.0 -40.09 88.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.215 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -141.47 -9.99 0.95 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.042 -1.036 . . . . 0.0 110.307 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.88 -30.02 67.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.99 -1.069 . . . . 0.0 109.932 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.8 165.39 27.61 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -66.07 119.0 10.64 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.312 -1.355 . . . . 0.0 109.497 -179.542 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.8 153.07 44.3 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 110.039 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.452 HD12 HG21 ' A' ' 36' ' ' ILE . 60.6 mt -102.63 129.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.255 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -106.81 -20.08 13.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.722 . . . . 0.0 110.042 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 45.2 tp10 -119.59 138.58 53.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.336 -0.853 . . . . 0.0 108.968 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.15 -22.31 66.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.459 -0.776 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -59.97 -38.07 81.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.177 -0.952 . . . . 0.0 109.957 -178.813 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.06 -39.69 81.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.77 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 C-N-CA 120.426 -0.509 . . . . 0.0 109.852 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.37 -39.01 93.04 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.211 1.005 . . . . 0.0 109.194 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.95 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.596 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.53 -32.82 73.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.216 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.21 -39.97 80.4 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.176 -1.577 . . . . 0.0 107.128 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -77.41 -46.61 22.15 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.818 -0.551 . . . . 0.0 111.326 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 76' ' ' PHE . 31.6 mt -89.31 -15.55 33.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.94 -1.1 . . . . 0.0 111.705 -177.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.0 t0 -81.92 59.52 4.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.144 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.15 -37.08 76.43 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 69.1 m-20 -77.01 -10.03 59.09 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.33 29.91 70.0 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -107.25 8.68 30.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.368 -1.078 . . . . 0.0 110.124 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.2 18.98 77.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -150.43 125.89 10.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.92 130.32 45.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.03 -1.044 . . . . 0.0 108.481 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.83 159.91 33.73 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.571 -0.706 . . . . 0.0 109.664 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 74' ' ' MET . 2.3 t80 -46.5 -39.9 11.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.427 -0.795 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -67.92 -39.98 83.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 110.34 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 45.2 mt-10 -63.06 -42.11 99.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.7 -1.25 . . . . 0.0 110.381 -179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.6 -36.35 82.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.269 -0.894 . . . . 0.0 109.112 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 75.6 mmm -60.0 -38.95 84.12 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.584 -178.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.51 69.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.772 -1.205 . . . . 0.0 111.383 -178.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.722 ' HB2' HD21 ' A' ' 60' ' ' LEU . 42.3 t80 -69.98 -20.25 63.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.596 -1.315 . . . . 0.0 109.57 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.465 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.9 t -75.02 -36.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.29 -0.881 . . . . 0.0 109.153 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -62.37 -45.14 94.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.0 110.298 -179.515 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.4 ptm -70.62 -39.99 73.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 111.46 -178.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 76' ' ' PHE . 80.0 t -60.01 -40.02 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.736 -1.228 . . . . 0.0 109.397 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -39.8 86.67 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.425 HG23 ' CE2' ' B' ' 70' ' ' PHE . 5.1 m -49.75 -34.5 19.3 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.25 87.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 88' ' ' PHE . 63.5 m -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.471 -0.768 . . . . 0.0 109.162 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -59.95 -40.09 87.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.372 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 85.9 tt0 -60.09 -40.02 88.13 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.385 -0.822 . . . . 0.0 109.008 178.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -86.05 -25.2 26.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 109.655 -179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.4 t80 -93.49 63.34 3.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.144 -0.973 . . . . 0.0 108.525 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 1.5 mp0 -58.36 113.93 2.19 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.045 -1.035 . . . . 0.0 108.445 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.0 . -179.795 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.56 39.84 31.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.209 -0.932 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.8 mt-10 -72.88 -13.07 61.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.465 -0.772 . . . . 0.0 110.471 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 2' ' ' GLU . 80.0 mt -43.45 -21.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.899 . . . . 0.0 110.391 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' B' ' 2' ' ' GLU . 87.6 tt0 -69.97 -39.95 75.69 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.151 -1.42 . . . . 0.0 108.442 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 2' ' ' GLU . 29.1 ttpt -79.33 -46.91 16.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.866 -0.521 . . . . 0.0 110.765 -179.499 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.71 -48.54 74.26 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 111.418 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.4 mtt -59.98 -40.04 87.79 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.276 -0.89 . . . . 0.0 109.814 -178.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 4' ' ' GLU . 54.5 t -64.17 -39.17 84.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 O-C-N 121.399 -0.813 . . . . 0.0 109.68 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -67.88 -34.89 77.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.503 -0.748 . . . . 0.0 111.618 -178.151 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.9 -39.96 87.15 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.517 -1.365 . . . . 0.0 107.582 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.75 -40.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.788 -0.57 . . . . 0.0 110.696 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 61.3 t0 -61.61 -43.33 99.06 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.869 -1.144 . . . . 0.0 111.576 -178.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -71.71 -33.68 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.83 -1.169 . . . . 0.0 110.236 -178.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' B' ' 18' ' ' SER . 65.2 t80 -59.86 -39.98 87.05 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.442 -1.411 . . . . 0.0 108.956 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -76.49 -22.21 54.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.214 -0.929 . . . . 0.0 110.35 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -54.79 -44.01 73.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.756 -177.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -118.58 -24.38 6.78 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.14 -0.975 . . . . 0.0 111.302 -179.206 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 50.1 m -60.18 -40.47 90.1 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.651 -1.281 . . . . 0.0 109.412 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 2.71 62.32 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 70.2 ttt180 -60.02 -42.88 95.32 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.147 -1.208 . . . . 0.0 108.446 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.8 mt-10 -114.19 163.11 15.67 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.461 0.648 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.06 -19.61 0.03 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' B' ' 21' ' ' GLU . 69.5 m-20 -77.64 85.17 3.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.765 -1.432 . . . . 0.0 109.857 -179.217 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -94.33 -42.55 8.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.434 -0.791 . . . . 0.0 110.257 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -92.72 0.02 57.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.264 -0.897 . . . . 0.0 110.361 -178.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -139.86 157.1 46.26 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -122.18 117.54 26.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 -178.177 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 30' ' ' SER . 6.6 mtmp? -90.47 150.0 21.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.642 -1.286 . . . . 0.0 108.358 178.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 28' ' ' LYS . 61.9 pttt -44.51 -21.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.202 -0.937 . . . . 0.0 108.851 178.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 28' ' ' LYS . 81.6 p -70.5 -49.29 49.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.847 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.91 -33.17 73.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.017 -1.052 . . . . 0.0 108.848 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.1 -41.06 91.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.34 -40.06 95.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.588 -0.695 . . . . 0.0 109.562 179.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 77.3 mm-40 -60.53 -39.97 89.81 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.06 -1.025 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.463 HD23 ' N ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -70.06 -44.4 69.23 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.632 -1.292 . . . . 0.0 109.148 179.596 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.482 HG21 HD12 ' B' ' 47' ' ' ILE . 90.8 mt -70.01 -41.41 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.377 -177.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.73 -33.19 25.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.487 -1.383 . . . . 0.0 111.838 -178.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.99 -36.85 8.87 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -177.173 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -86.45 -17.79 33.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.335 -1.478 . . . . 0.0 110.579 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 33.5 mt -113.13 58.86 0.65 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.391 -0.818 . . . . 0.0 108.92 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -40.14 87.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -141.41 -9.72 0.96 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.02 -30.07 67.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.031 -1.043 . . . . 0.0 109.954 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -141.75 165.66 26.86 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' B' ' 45' ' ' GLU . 0.2 OUTLIER -66.36 119.16 11.1 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.269 -1.372 . . . . 0.0 109.478 -179.521 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.97 153.03 44.63 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 109.985 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.482 HD12 HG21 ' B' ' 36' ' ' ILE . 61.6 mt -102.51 129.99 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.135 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.92 -20.31 13.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.464 -0.772 . . . . 0.0 110.011 -178.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 45.7 tp10 -119.39 138.68 52.93 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.341 -0.849 . . . . 0.0 108.96 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -65.16 -22.25 66.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.472 -0.768 . . . . 0.0 110.56 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 0.7 OUTLIER -59.99 -38.25 82.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.091 -1.006 . . . . 0.0 110.009 -178.79 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.98 -39.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.15 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.806 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.36 -39.06 93.13 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.191 0.996 . . . . 0.0 109.262 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.17 -40.03 86.54 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.98 -28.82 44.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.99 -32.5 72.11 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.265 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.46 -40.01 81.5 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.135 -1.603 . . . . 0.0 107.023 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -77.26 -46.54 22.8 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.744 -0.597 . . . . 0.0 111.394 179.53 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' B' ' 76' ' ' PHE . 32.1 mt -89.3 -15.51 33.31 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.781 -1.2 . . . . 0.0 111.685 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.1 t0 -81.95 59.76 4.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.1 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -59.44 -36.89 76.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 69.1 m-20 -77.23 -9.7 58.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.408 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.86 30.01 68.74 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -107.25 8.85 30.13 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.443 -1.034 . . . . 0.0 110.06 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.76 19.19 76.53 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -150.24 125.69 10.19 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.8 130.32 45.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.962 -1.086 . . . . 0.0 108.513 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.83 160.01 33.54 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.5 -0.75 . . . . 0.0 109.687 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' B' ' 74' ' ' MET . 2.2 t80 -46.57 -39.77 11.63 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.217 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -68.11 -39.91 82.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 43.7 mt-10 -63.04 -42.23 99.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.872 -1.143 . . . . 0.0 110.344 -179.359 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -66.7 -36.27 82.11 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 109.118 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.3 mmm -59.95 -38.99 84.08 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.299 0.571 . . . . 0.0 110.596 -178.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.57 70.06 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.701 -1.249 . . . . 0.0 111.324 -178.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' B' ' 60' ' ' LEU . 42.1 t80 -69.91 -20.34 63.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.628 -1.295 . . . . 0.0 109.667 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.45 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.8 t -74.87 -36.9 40.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.313 -0.867 . . . . 0.0 109.113 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 74' ' ' MET . 4.2 m -62.14 -45.26 94.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.0 110.247 -179.386 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptm -70.54 -40.02 73.69 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.0 111.469 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 76' ' ' PHE . 74.2 t -60.03 -39.97 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.748 -1.22 . . . . 0.0 109.414 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.91 -39.98 87.29 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.409 HG23 ' CE2' ' A' ' 70' ' ' PHE . 4.7 m -49.75 -34.34 18.81 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.08 87.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 108.599 178.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' B' ' 88' ' ' PHE . 64.3 m -59.99 -34.28 73.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.437 -0.79 . . . . 0.0 109.242 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.984 -1.072 . . . . 0.0 108.353 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.424 ' O ' ' OE1' ' B' ' 89' ' ' GLU . 86.6 tt0 -60.09 -40.09 88.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 108.926 178.668 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -86.11 -25.0 26.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -0.796 . . . . 0.0 109.738 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.4 t80 -93.63 63.27 3.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.164 -0.96 . . . . 0.0 108.586 179.762 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' B' ' 89' ' ' GLU . 1.5 mp0 -58.44 114.05 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.098 -1.001 . . . . 0.0 108.493 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -60.01 -40.05 87.89 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.4 -0.812 . . . . 0.0 . -179.67 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -60.1 -39.98 88.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 0.0 109.783 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.635 ' N ' HD22 ' X' ' 94' ' ' LEU . 3.4 mm? -77.7 153.25 33.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.092 -1.005 . . . . 0.0 109.153 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -99.19 121.25 40.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.25 -0.906 . . . . 0.0 109.76 -179.233 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -139.71 -13.99 1.09 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -105.93 127.91 53.45 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.253 -0.904 . . . . 0.0 109.873 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . 0.425 ' CD ' ' H ' ' X' ' 98' ' ' LYS . 0.0 OUTLIER -94.14 0.06 55.58 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.758 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' X' ' 100' ' ' GLN . . . 81.21 11.35 83.63 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' X' ' 99' ' ' GLY . 78.1 mt-30 53.19 171.52 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.537 -0.978 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 56.3 m -67.55 -24.97 65.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 41.7 m -50.3 -30.41 11.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 109.668 -179.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 19.2 t -60.01 -40.06 87.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.116 -0.99 . . . . 0.0 108.601 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.514 ' CD ' ' N ' ' X' ' 104' ' ' ARG . 0.5 OUTLIER -62.25 -40.38 95.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 109.285 179.673 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.51 ' O ' ' SD ' ' X' ' 109' ' ' MET . 86.2 t60 -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.487 -0.758 . . . . 0.0 109.521 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -59.96 -37.41 79.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.392 -0.818 . . . . 0.0 109.883 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -59.39 -39.95 85.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.495 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.889 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 19.2 tp -69.12 -38.67 79.01 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.186 -0.946 . . . . 0.0 110.032 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.51 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -49.2 -24.53 1.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 109.729 -179.304 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.563 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -42.24 -46.28 4.42 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.244 -0.91 . . . . 0.0 110.303 -179.077 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.889 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 0.6 OUTLIER -74.05 -34.43 64.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.018 -1.052 . . . . 0.0 109.93 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 42.0 p -60.86 -38.92 87.25 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.794 -1.191 . . . . 0.0 108.06 179.611 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.587 -0.696 . . . . 0.0 . 179.362 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.233 0.539 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -60.02 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.621 HD22 ' N ' ' Y' ' 94' ' ' LEU . 2.9 mm? -78.03 153.48 32.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.066 -1.021 . . . . 0.0 109.049 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -98.99 121.16 40.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.343 -0.848 . . . . 0.0 109.858 -179.16 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 39.1 m -139.71 -14.05 1.09 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.386 -0.822 . . . . 0.0 109.944 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -105.84 128.12 53.54 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 109.851 -179.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' Y' ' 98' ' ' LYS . 0.0 OUTLIER -94.42 0.04 55.14 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' Y' ' 100' ' ' GLN . . . 81.58 11.08 83.54 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.471 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' Y' ' 99' ' ' GLY . 77.3 mt-30 53.35 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.431 -1.04 . . . . 0.0 110.058 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -67.36 -25.02 65.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.336 -0.852 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 45.4 m -50.3 -30.5 12.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.642 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 20.1 t -59.97 -40.09 87.92 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.075 -1.015 . . . . 0.0 108.544 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' Y' ' 104' ' ' ARG . 0.5 OUTLIER -62.24 -40.34 95.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.276 179.654 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.505 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 86.2 t60 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.482 -0.761 . . . . 0.0 109.461 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -59.98 -37.27 79.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -59.69 -39.96 86.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.021 -1.049 . . . . 0.0 109.524 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.835 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 19.6 tp -69.15 -38.56 78.84 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -49.13 -24.53 1.69 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.941 -1.1 . . . . 0.0 109.734 -179.431 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.9 p90 -42.32 -45.88 4.39 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.28 -0.888 . . . . 0.0 110.387 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.835 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 0.6 OUTLIER -74.18 -35.41 63.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -60.01 -38.54 82.95 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.173 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 O-C-N 121.544 -0.723 . . . . 0.0 . 179.41 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.4 ' C ' ' H ' ' A' ' 2' ' ' GLU . 62.7 mtt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.8 m 61.14 7.19 1.51 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.309 -0.87 . . . . 0.0 109.015 -179.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 0' ' ' MET . 18.9 pt-20 -76.39 13.9 0.86 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 3' ' ' LEU . 2.9 tm? -59.78 -40.15 87.32 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.477 -0.765 . . . . 0.0 109.466 -178.577 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.94 -38.63 82.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.894 -1.129 . . . . 0.0 110.26 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -69.99 -36.22 75.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.072 -1.018 . . . . 0.0 109.862 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -39.98 84.32 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.495 -0.753 . . . . 0.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.8 mtt -68.97 -39.88 79.17 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 108.938 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.3 -37.18 79.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.022 -179.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.56 69.31 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.237 -0.914 . . . . 0.0 110.211 -178.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.643 HD12 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -59.82 -40.54 88.79 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.68 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.97 -40.01 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.741 -0.6 . . . . 0.0 110.961 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.01 -42.28 93.97 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.817 -1.177 . . . . 0.0 112.388 -177.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -39.04 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.679 -1.263 . . . . 0.0 110.381 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CZ ' ' OG ' ' A' ' 18' ' ' SER . 68.8 t80 -57.89 -39.97 79.15 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.728 -1.232 . . . . 0.0 109.254 -179.06 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.95 -27.59 69.24 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.11 -0.994 . . . . 0.0 109.643 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -40.14 88.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.082 -1.012 . . . . 0.0 111.132 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -95.86 -31.02 13.35 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.809 -1.182 . . . . 0.0 112.348 -178.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.536 ' OG ' ' CZ ' ' A' ' 14' ' ' PHE . 54.0 m -60.08 -40.02 88.11 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.458 -1.401 . . . . 0.0 109.898 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.24 0.18 80.83 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -59.95 -46.39 89.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.084 -1.245 . . . . 0.0 109.347 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -114.6 164.19 14.37 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.19 -16.19 1.31 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -80.73 64.52 5.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.617 -1.52 . . . . 0.0 109.495 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.0 -38.96 76.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.879 . . . . 0.0 110.624 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -77.62 -19.03 56.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.064 -1.023 . . . . 0.0 111.368 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -138.31 157.51 46.1 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.996 -1.065 . . . . 0.0 109.435 -179.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.82 122.66 48.3 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.54 -0.725 . . . . 0.0 109.097 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' SER . 37.8 pttt -98.11 155.65 17.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.722 -1.236 . . . . 0.0 109.519 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -43.9 -24.51 0.14 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 109.838 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LYS . 17.2 t -73.31 -51.5 17.32 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.491 -179.594 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 mt-10 -63.82 -36.78 85.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.0 -40.48 89.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.66 -0.65 . . . . 0.0 109.784 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.99 -40.01 91.82 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.173 -0.954 . . . . 0.0 110.207 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -66.71 -37.43 84.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.208 -0.932 . . . . 0.0 109.519 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.2 tt -66.16 -48.86 69.35 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.076 -1.015 . . . . 0.0 109.683 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -69.12 -45.34 79.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.12 -0.987 . . . . 0.0 111.052 -178.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -70.88 -41.07 71.83 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.973 -1.08 . . . . 0.0 112.151 -177.643 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.06 -31.79 11.6 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 21.4 tt0 -79.34 -9.96 59.7 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.122 -1.611 . . . . 0.0 109.225 -178.079 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.35 52.18 0.85 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.633 -0.667 . . . . 0.0 109.263 179.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 43' ' ' PHE . 66.9 m -61.3 109.76 1.23 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.129 -0.982 . . . . 0.0 110.297 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 56.22 -11.73 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.71 -0.619 . . . . 0.0 111.631 179.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' H ' ' C ' ' A' ' 41' ' ' SER . 2.3 t80 -69.88 -39.71 76.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.59 -1.319 . . . . 0.0 109.078 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -134.17 160.66 37.14 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' OE2' ' NE ' ' X' ' 104' ' ' ARG . 85.9 tt0 -58.49 112.72 1.69 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.883 -1.136 . . . . 0.0 109.248 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.37 164.12 11.9 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.868 0.842 . . . . 0.0 110.064 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.49 135.97 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.387 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -107.46 -25.02 11.59 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.281 -0.887 . . . . 0.0 109.614 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -123.77 143.66 50.17 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.402 -0.811 . . . . 0.0 110.276 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.706 HE21 ' H ' ' A' ' 51' ' ' GLU . 1.3 pm0 -69.11 -18.23 63.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.706 ' H ' HE21 ' A' ' 50' ' ' GLN . 15.7 pt-20 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 109.569 -179.781 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 98.9 t -60.02 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.759 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.49 -40.06 87.62 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.186 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.98 -39.6 95.23 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.242 -0.911 . . . . 0.0 109.908 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -64.89 -39.99 94.41 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.7 -31.22 52.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 84.0 mmm -70.0 -30.34 67.64 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.871 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.92 -40.03 87.47 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.439 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -77.09 -42.65 37.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.862 -0.524 . . . . 0.0 111.468 178.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.52 -22.0 30.34 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.949 -1.094 . . . . 0.0 109.884 -178.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.5 t0 -81.73 63.34 5.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.875 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.6 -39.05 79.33 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -78.61 -11.3 59.96 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.464 -0.772 . . . . 0.0 109.21 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.8 42.72 92.87 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.09 -0.87 26.26 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.241 -1.152 . . . . 0.0 110.051 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.98 1.13 87.17 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -146.16 149.88 34.83 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.51 51.66 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -75.21 167.96 20.9 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 p90 -57.52 -38.12 74.16 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 117.966 -1.493 . . . . 0.0 109.056 -178.481 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -61.65 -40.03 93.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 109.938 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.31 -40.25 95.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.471 -1.393 . . . . 0.0 108.857 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 77' ' ' VAL . 50.8 t80 -64.9 -33.69 76.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.535 -0.728 . . . . 0.0 109.694 179.601 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.643 ' SD ' HD12 ' A' ' 10' ' ' LEU . 87.2 mmm -60.09 -37.48 80.07 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.313 0.578 . . . . 0.0 110.35 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.53 75.1 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.262 -178.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 80' ' ' VAL . 65.7 t80 -70.02 -34.05 72.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 0.0 110.72 -179.2 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -60.9 -39.92 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 O-C-N 121.256 -0.902 . . . . 0.0 109.275 -179.931 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -64.28 -39.96 95.0 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.552 -0.718 . . . . 0.0 110.055 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.57 -41.65 75.56 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.603 -178.358 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 76' ' ' PHE . 38.9 t -65.94 -37.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 120.657 -1.277 . . . . 0.0 108.653 -179.294 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -60.05 -39.94 87.72 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.458 HG23 ' CZ ' ' B' ' 70' ' ' PHE . 26.1 m -55.34 -38.77 69.2 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -62.32 -38.78 90.73 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.528 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.0 m -60.02 -37.6 80.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.265 -0.897 . . . . 0.0 109.904 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -58.6 -38.74 78.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.912 -1.117 . . . . 0.0 108.129 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.93 -38.3 81.98 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -83.56 -39.0 20.94 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -94.08 74.09 4.07 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -80.79 102.6 10.08 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -69.98 -10.15 57.61 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.357 -0.84 . . . . 0.0 . -179.794 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.404 ' C ' ' H ' ' B' ' 2' ' ' GLU . 65.1 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.432 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.8 m 60.96 7.14 1.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 108.916 -179.464 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 0' ' ' MET . 19.1 pt-20 -76.25 14.0 0.82 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 3' ' ' LEU . 2.9 tm? -59.92 -39.99 87.33 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.421 -0.8 . . . . 0.0 109.351 -178.422 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.1 -38.69 83.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.853 -1.154 . . . . 0.0 110.223 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.8 -36.36 75.61 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.875 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -39.93 84.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.55 -0.719 . . . . 0.0 111.497 -178.156 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 mtt -68.99 -39.94 79.05 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.988 -1.07 . . . . 0.0 108.959 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.3 -36.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.17 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.38 -34.03 67.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.99 . . . . 0.0 110.146 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.608 HD12 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -59.95 -40.57 89.42 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.692 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.2 mt -70.0 -40.04 78.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.75 -0.594 . . . . 0.0 110.892 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.17 -42.11 94.28 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.147 . . . . 0.0 112.279 -177.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -38.97 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.75 -1.219 . . . . 0.0 110.355 -178.688 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 72.2 t80 -58.03 -39.91 79.55 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.732 -1.23 . . . . 0.0 109.276 -179.164 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.81 -27.95 69.53 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.17 -0.956 . . . . 0.0 109.598 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.07 -40.08 88.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.028 -1.045 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -95.61 -31.12 13.43 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.701 -1.249 . . . . 0.0 112.391 -178.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.551 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 54.1 m -59.99 -40.08 87.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.393 -1.442 . . . . 0.0 109.897 -179.018 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.79 0.02 79.23 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -60.03 -46.19 90.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.066 -1.255 . . . . 0.0 109.468 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -114.96 164.02 14.74 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.83 -16.27 1.14 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.221 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.78 64.68 5.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.632 -1.51 . . . . 0.0 109.533 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -69.93 -39.48 76.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.826 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -77.49 -18.89 56.68 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.142 -0.974 . . . . 0.0 111.392 -177.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -138.55 157.63 45.79 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.952 -1.093 . . . . 0.0 109.449 -179.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.88 122.75 48.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.581 -0.699 . . . . 0.0 109.16 -178.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.5 pttt -98.11 155.67 17.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.786 -1.196 . . . . 0.0 109.597 179.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.87 -24.51 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.503 -0.748 . . . . 0.0 109.873 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 28' ' ' LYS . 21.9 t -73.63 -51.18 17.66 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.447 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 50.2 mt-10 -63.94 -37.03 85.91 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.115 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.72 -40.58 88.5 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.715 -0.616 . . . . 0.0 109.718 -179.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.8 -40.05 91.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.71 -37.58 84.99 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.118 -0.988 . . . . 0.0 109.482 -178.492 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.689 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.6 tt -65.69 -49.32 68.95 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.221 -0.924 . . . . 0.0 109.606 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.13 -45.56 79.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 121.171 -0.956 . . . . 0.0 111.051 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -70.62 -40.89 72.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -99.08 -31.97 11.5 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 21.2 tt0 -79.36 -9.96 59.71 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.15 -1.594 . . . . 0.0 109.249 -178.068 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.6 mt -114.26 52.33 0.84 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.564 ' C ' ' H ' ' B' ' 43' ' ' PHE . 75.1 m -61.27 109.21 1.07 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.185 -0.947 . . . . 0.0 110.292 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 56.15 -11.34 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.715 -0.616 . . . . 0.0 111.588 179.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.564 ' H ' ' C ' ' B' ' 41' ' ' SER . 2.5 t80 -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.536 -1.352 . . . . 0.0 109.013 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -133.91 160.77 36.68 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.516 ' OE2' ' NE ' ' Y' ' 104' ' ' ARG . 84.1 tt0 -58.67 112.58 1.67 Allowed 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.879 -1.138 . . . . 0.0 109.395 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.1 163.87 11.7 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.859 0.838 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mm -96.24 136.23 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -108.1 -24.58 11.51 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.258 -0.901 . . . . 0.0 109.585 -179.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -123.77 143.43 50.31 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.457 -0.777 . . . . 0.0 110.266 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.698 HE21 ' N ' ' B' ' 51' ' ' GLU . 1.2 pm0 -69.15 -17.99 63.89 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.832 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.698 ' N ' HE21 ' B' ' 50' ' ' GLN . 15.5 pt-20 -60.93 -39.95 91.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.176 -0.952 . . . . 0.0 109.517 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 98.4 t -59.98 -40.07 82.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.57 -40.01 87.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.201 -179.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.74 -39.85 95.38 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.83 -40.06 94.57 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.9 t -66.34 -31.56 54.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 61' ' ' ASP . 84.2 mmm -70.0 -30.35 67.65 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.81 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -39.73 86.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 178.37 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -77.27 -42.77 35.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.752 -0.592 . . . . 0.0 111.306 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.28 -21.89 30.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.914 -1.116 . . . . 0.0 110.075 -178.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.8 t0 -81.87 63.29 6.05 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -58.55 -39.09 79.25 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.81 -11.08 59.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.433 -0.792 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.85 42.65 92.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -104.9 -0.96 26.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.2 -1.176 . . . . 0.0 110.121 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.01 1.11 87.22 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 -178.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -146.07 149.96 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 137.43 51.77 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.4 t0 -75.55 166.79 23.03 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.1 p90 -56.01 -38.78 70.96 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.947 -1.501 . . . . 0.0 109.32 -178.512 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.702 -1.249 . . . . 0.0 110.014 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.6 -40.01 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.372 -1.455 . . . . 0.0 108.812 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.445 ' O ' HG23 ' B' ' 77' ' ' VAL . 49.5 t80 -64.88 -33.95 77.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.6 -0.688 . . . . 0.0 109.515 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.608 ' SD ' HD12 ' B' ' 10' ' ' LEU . 87.3 mmm -59.85 -38.03 80.96 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.42 0.628 . . . . 0.0 110.514 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.46 75.4 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.288 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.527 ' CE2' HG21 ' B' ' 80' ' ' VAL . 67.3 t80 -70.0 -34.33 73.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.868 -1.145 . . . . 0.0 110.585 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -60.33 -39.98 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.434 179.93 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -64.33 -40.0 95.02 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.558 -0.714 . . . . 0.0 110.159 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -69.53 -41.84 75.45 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.356 -178.151 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.527 HG21 ' CE2' ' B' ' 76' ' ' PHE . 37.3 t -65.75 -37.71 80.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 120.68 -1.262 . . . . 0.0 108.66 -179.225 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 64.9 m -60.0 -39.75 86.86 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.439 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 23.5 m -55.73 -38.77 70.2 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.687 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 80' ' ' VAL . . . -61.77 -39.17 90.71 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.474 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.17 -37.46 80.23 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.383 -0.823 . . . . 0.0 109.987 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -58.63 -38.8 78.86 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.929 -1.107 . . . . 0.0 108.052 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.01 -37.93 81.16 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.024 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.58 -39.34 20.48 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -93.97 74.23 4.14 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.78 102.75 10.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -70.04 -10.19 57.85 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.383 -0.823 . . . . 0.0 . -179.857 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -83.8 170.21 14.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 109.711 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 59.3 tp -93.29 137.94 32.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.279 -0.888 . . . . 0.0 108.83 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -117.08 132.39 56.69 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.48 -0.763 . . . . 0.0 110.527 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 71.6 m -132.31 144.07 50.31 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -94.51 76.85 3.83 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.95 -1.094 . . . . 0.0 109.701 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -70.0 -30.9 68.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -0.813 . . . . 0.0 109.695 179.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.25 43.44 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -84.93 149.67 25.48 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.199 -1.177 . . . . 0.0 109.392 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -65.26 -25.24 67.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 0.0 109.682 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.557 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 9.2 t -50.04 -28.03 6.43 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 108.888 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -48.47 -24.83 1.4 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.211 -0.93 . . . . 0.0 108.909 179.13 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.545 ' NE ' ' OE2' ' A' ' 45' ' ' GLU . 5.2 ptm180 -54.54 -35.51 63.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.32 -0.862 . . . . 0.0 109.425 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 7.4 p-80 -59.8 -39.21 84.19 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.947 -1.096 . . . . 0.0 108.225 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 46.2 tptt -59.7 -30.6 68.91 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 61.5 tttm -58.28 -40.13 81.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.087 -1.008 . . . . 0.0 109.0 -179.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.41 -24.39 39.69 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.39 -0.819 . . . . 0.0 109.926 178.52 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -57.91 -24.83 59.48 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.648 -1.282 . . . . 0.0 110.55 -178.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.7 OUTLIER -53.77 -28.18 33.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.13 -1.606 . . . . 0.0 108.792 -179.505 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 2.0 mmpt? -69.94 -39.98 75.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.861 -1.15 . . . . 0.0 108.437 176.294 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 80.7 p -60.13 -36.04 76.62 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.138 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.81 . . . . 0.0 . 179.759 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -84.0 170.43 13.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.426 -0.796 . . . . 0.0 109.524 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.8 tp -93.64 137.76 32.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.312 -0.867 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -116.95 132.45 56.7 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.535 -0.728 . . . . 0.0 110.577 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 73.1 m -132.3 144.32 50.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -94.75 76.68 3.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.007 -1.058 . . . . 0.0 109.793 -179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -70.01 -30.6 67.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.399 -0.813 . . . . 0.0 109.646 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.04 173.31 43.36 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -85.04 149.55 25.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.199 -1.177 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 89.2 p -65.11 -24.98 67.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.564 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 7.9 t -50.03 -28.13 6.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 0.0 108.875 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 29.4 t -48.49 -24.81 1.41 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 108.953 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.516 ' NE ' ' OE2' ' B' ' 45' ' ' GLU . 5.2 ptm180 -54.53 -35.4 63.15 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 0.0 109.473 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.608 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.4 p-80 -59.97 -38.99 84.11 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.608 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 46.1 tptt -59.86 -30.84 69.25 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.616 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.4 tttm -58.03 -40.25 80.37 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.06 -1.025 . . . . 0.0 109.061 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.49 -24.65 39.3 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.415 -0.803 . . . . 0.0 109.973 178.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 34.0 mmt -57.75 -24.67 58.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.683 -1.261 . . . . 0.0 110.363 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.474 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.6 OUTLIER -53.98 -28.01 35.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.021 -1.674 . . . . 0.0 108.618 -179.445 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.474 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 2.3 mmpt? -69.99 -39.95 75.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.911 -1.118 . . . . 0.0 108.52 176.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -60.01 -35.76 75.76 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.196 -179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 . 179.868 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.82 27.81 17.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.31 -0.869 . . . . 0.0 109.563 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLU . 45.5 mt-10 -74.7 -10.0 59.1 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.519 -0.738 . . . . 0.0 109.106 179.387 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -42.91 -24.66 0.07 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.501 -0.75 . . . . 0.0 110.523 -178.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' GLU . 18.6 pt-20 -72.03 -36.25 69.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.804 -1.185 . . . . 0.0 109.948 179.332 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -82.81 -30.75 28.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.982 -1.074 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.02 -40.04 72.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.979 -1.076 . . . . 0.0 110.181 -179.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -66.87 -40.03 87.7 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.09 -38.65 83.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.156 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.91 75.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.182 -0.948 . . . . 0.0 110.679 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD21 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.55 -39.99 81.79 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.234 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.88 -39.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.854 -0.529 . . . . 0.0 110.999 179.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.02 -46.16 90.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.759 -1.213 . . . . 0.0 111.946 -177.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -40.01 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.917 . . . . 0.0 111.301 -177.078 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.06 -39.94 87.75 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.295 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -65.14 -27.94 69.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.316 -179.567 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.05 -40.5 89.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.704 -1.247 . . . . 0.0 110.236 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.476 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 49.1 m-85 -92.01 -29.92 16.35 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.863 -1.148 . . . . 0.0 111.719 -179.264 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 p -60.06 -39.59 86.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.071 -1.018 . . . . 0.0 109.821 -179.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.98 -6.23 89.61 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' HH11 ' A' ' 20' ' ' ARG . 32.4 ttt-85 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.087 -1.243 . . . . 0.0 109.726 -179.525 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -91.75 -2.04 57.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.038 -1.039 . . . . 0.0 109.033 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.0 -9.99 75.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' A' ' 26' ' ' LYS . 52.1 m-20 -83.16 69.1 9.83 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.148 -1.207 . . . . 0.0 108.563 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.82 -39.99 94.47 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -179.397 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -77.62 -24.27 49.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.127 -0.983 . . . . 0.0 111.812 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' ASP . 19.6 pttp -139.19 157.72 45.43 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.812 -1.18 . . . . 0.0 109.435 -179.503 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.3 131.56 53.7 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.371 -0.831 . . . . 0.0 109.794 -178.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' SER . 65.2 tttm -100.47 146.46 27.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.028 -1.045 . . . . 0.0 109.618 -179.659 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -44.19 -23.92 0.13 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.427 -0.796 . . . . 0.0 109.698 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.8 m -74.57 -50.36 18.28 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.682 -0.807 . . . . 0.0 109.114 -179.628 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 55.8 tt0 -64.58 -36.14 83.28 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.03 -40.4 89.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.755 -0.591 . . . . 0.0 109.648 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' NZ ' HD22 ' A' ' 37' ' ' ASN . 58.4 tttm -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.302 -0.874 . . . . 0.0 110.008 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -61.29 -39.96 92.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.895 -1.128 . . . . 0.0 108.743 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.02 74.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.854 -1.154 . . . . 0.0 109.861 178.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -69.94 -43.49 79.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.498 -0.751 . . . . 0.0 112.677 -177.248 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.549 HD22 ' NZ ' ' A' ' 33' ' ' LYS . 99.0 m-20 -76.83 -35.06 57.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.61 -1.306 . . . . 0.0 112.328 -177.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -98.8 -30.47 12.4 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.268 -0.895 . . . . 0.0 113.014 -177.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.63 -10.51 58.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.099 -1.625 . . . . 0.0 109.114 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.3 mt -132.78 58.54 1.76 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.3 m -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.004 -1.06 . . . . 0.0 110.044 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -138.02 -11.46 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.267 -0.896 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -70.02 -28.09 65.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.926 -1.109 . . . . 0.0 109.091 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tp -142.21 171.59 13.84 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.283 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 14.9 pt-20 -70.65 117.76 12.59 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 118.689 -1.204 . . . . 0.0 109.801 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.68 156.82 25.75 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.487 HG12 HH22 ' X' ' 104' ' ' ARG . 58.8 mt -101.91 127.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 O-C-N 120.957 -1.09 . . . . 0.0 108.552 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.46 -20.02 16.65 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.583 -0.698 . . . . 0.0 111.248 -176.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 78.6 tt0 -128.51 136.4 50.75 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.117 -0.99 . . . . 0.0 110.088 -178.308 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.448 HE21 ' HB ' ' A' ' 53' ' ' VAL . 56.5 tp60 -60.04 -25.34 65.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.578 -0.701 . . . . 0.0 110.074 -179.634 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.0 -38.57 82.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.179 -0.951 . . . . 0.0 110.263 -179.114 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.05 -39.98 81.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.448 ' HB ' HE21 ' A' ' 50' ' ' GLN . 37.4 t -63.57 -36.81 77.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.4 -38.28 90.48 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.753 0.787 . . . . 0.0 109.969 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.25 -28.43 43.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -68.8 -35.45 77.03 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.359 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.61 -38.64 67.03 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 m -80.03 -49.54 11.65 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.143 -179.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 15.5 mt -89.65 -14.47 34.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.81 -1.181 . . . . 0.0 110.961 -177.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' MET . 38.1 t0 -81.85 60.95 4.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 179.021 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 86.6 mt-10 -59.64 -40.01 86.24 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.03 -19.49 63.3 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.21 80.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 23.6 p-10 -107.86 11.56 27.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.514 -0.992 . . . . 0.0 109.915 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 2.25 87.99 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 17.4 pt-20 -145.08 133.71 22.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.558 -0.966 . . . . 0.0 108.659 179.523 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 141.22 33.71 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' PHE . 86.6 m-20 -78.46 160.55 27.65 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 10.4 t80 -46.61 -35.75 6.23 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.306 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -59.99 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.545 -0.722 . . . . 0.0 110.861 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 35.7 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.974 -1.079 . . . . 0.0 110.718 -177.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.4 t80 -69.93 -31.68 69.56 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.938 -1.101 . . . . 0.0 109.348 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 75.9 mmm -59.97 -38.07 81.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.663 -0.648 . . . . 0.0 109.795 -178.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.597 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.307 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.473 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -60.18 -36.31 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.81 -0.556 . . . . 0.0 110.266 -178.91 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -63.0 -39.98 96.4 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.476 -178.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtm -71.43 -45.78 61.82 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.142 -179.022 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.49 -37.95 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.553 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.6 m -59.94 -39.16 84.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.6 m -57.58 -39.4 76.68 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.415 -0.803 . . . . 0.0 108.869 178.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 -34.73 71.66 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 109.883 -179.225 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.418 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 11.9 t-80 -60.08 -39.93 87.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.032 -1.042 . . . . 0.0 108.537 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 0.0 109.616 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.11 -31.46 25.26 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.162 -0.961 . . . . 0.0 110.337 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -93.86 8.63 40.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.191 -0.943 . . . . 0.0 108.6 -179.602 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.94 98.59 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.595 0.712 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -59.95 -37.26 79.05 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.123 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 N--CA 1.493 1.723 0 O-C-N 121.871 -0.518 . . . . 0.0 . 179.683 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t 60.63 28.03 17.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.342 -0.849 . . . . 0.0 109.608 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 4' ' ' GLU . 46.1 mt-10 -74.8 -10.01 59.1 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.55 -0.719 . . . . 0.0 109.11 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' B' ' 2' ' ' GLU . 10.2 tp -42.91 -24.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.552 -0.717 . . . . 0.0 110.525 -178.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 2' ' ' GLU . 18.4 pt-20 -71.97 -36.37 69.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.846 -1.159 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -82.65 -30.97 28.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.95 -1.094 . . . . 0.0 110.344 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.04 72.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.945 -1.097 . . . . 0.0 110.168 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -66.75 -40.0 88.12 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.22 -38.43 82.63 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.526 -0.734 . . . . 0.0 110.1 -179.42 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.17 75.44 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.625 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.421 HD21 HG11 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.141 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.91 -39.97 78.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.003 179.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.06 -46.15 90.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.88 -1.137 . . . . 0.0 111.932 -177.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -40.03 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 0.0 111.217 -177.085 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.02 -39.95 87.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.918 -1.114 . . . . 0.0 109.346 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.418 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 63.5 m-70 -65.24 -27.82 68.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.269 -0.895 . . . . 0.0 110.271 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.07 -40.45 89.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.803 -1.186 . . . . 0.0 110.324 -179.31 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 49.0 m-85 -91.9 -30.1 16.33 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.815 -1.178 . . . . 0.0 111.617 -179.323 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.476 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.3 p -60.06 -39.54 86.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.111 -0.993 . . . . 0.0 109.809 -178.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.15 -6.05 89.66 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' B' ' 20' ' ' ARG . 29.5 ttt-85 -60.04 -49.89 75.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.989 -1.301 . . . . 0.0 109.713 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -91.64 -2.16 57.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.07 -1.019 . . . . 0.0 109.003 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.04 75.35 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' B' ' 26' ' ' LYS . 52.3 m-20 -83.21 69.14 9.87 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.189 -1.183 . . . . 0.0 108.526 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.9 -39.9 94.24 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.32 -0.862 . . . . 0.0 110.323 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -77.66 -24.2 49.45 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.172 -0.955 . . . . 0.0 111.763 -178.247 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.5 pttp -139.29 157.82 45.23 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.541 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -123.38 131.7 53.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.383 -0.823 . . . . 0.0 109.765 -178.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' SER . 63.0 tttm -100.58 146.53 27.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.98 -1.075 . . . . 0.0 109.595 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -44.18 -23.82 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.37 -0.831 . . . . 0.0 109.71 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 68.4 m -74.85 -50.02 18.52 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.16 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 56.1 tt0 -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.355 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.06 -40.36 89.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.707 -0.621 . . . . 0.0 109.69 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.557 ' NZ ' HD22 ' B' ' 37' ' ' ASN . 59.7 tttm -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.299 -0.875 . . . . 0.0 110.019 -179.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.5 OUTLIER -61.09 -40.03 92.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.934 -1.104 . . . . 0.0 108.767 179.858 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.57 -50.04 74.25 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 120.877 -1.139 . . . . 0.0 109.908 178.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.05 -43.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 112.663 -177.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.557 HD22 ' NZ ' ' B' ' 33' ' ' LYS . 99.0 m-20 -77.05 -35.01 57.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.59 -1.319 . . . . 0.0 112.324 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -98.67 -30.64 12.34 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.245 -0.91 . . . . 0.0 112.974 -177.461 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.41 -10.82 58.18 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.129 -1.607 . . . . 0.0 109.11 -178.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 mt -132.59 58.67 1.75 Allowed 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -60.03 -40.05 88.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.016 -1.053 . . . . 0.0 109.986 -179.306 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -138.18 -11.13 1.47 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.234 -0.916 . . . . 0.0 110.189 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.04 -28.06 65.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 109.068 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.28 171.84 13.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.27 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 15.9 pt-20 -70.76 117.89 12.85 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.787 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.535 ' O ' ' NH2' ' Y' ' 104' ' ' ARG . 38.0 tt0 -63.82 156.67 26.68 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.454 HG12 HH22 ' Y' ' 104' ' ' ARG . 63.8 mt -101.54 128.26 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.959 -1.088 . . . . 0.0 108.529 179.337 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.91 -20.03 16.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.511 -0.743 . . . . 0.0 111.093 -176.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.1 tt0 -128.45 136.36 50.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.061 -1.024 . . . . 0.0 110.125 -178.298 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.444 HE21 ' HB ' ' B' ' 53' ' ' VAL . 56.5 tp60 -59.99 -25.37 65.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.495 -0.753 . . . . 0.0 109.962 -179.49 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 1.3 pp20? -59.95 -38.68 83.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.167 -0.958 . . . . 0.0 110.337 -179.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.444 ' HB ' HE21 ' B' ' 50' ' ' GLN . 27.8 t -63.33 -37.13 78.7 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.386 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -64.15 -38.36 90.76 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.722 0.773 . . . . 0.0 109.979 -179.354 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.59 -38.99 77.53 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.41 -28.49 43.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -68.73 -35.43 77.13 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.373 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -54.53 -38.74 66.93 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.141 -1.599 . . . . 0.0 106.74 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.7 m -79.97 -49.46 11.81 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.149 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 16.5 mt -89.66 -14.43 34.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.831 -1.168 . . . . 0.0 111.003 -177.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.5 t0 -81.97 60.81 4.98 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 83.8 mt-10 -59.51 -40.05 85.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.01 -19.4 63.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.57 32.19 80.42 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 23.8 p-10 -107.9 11.5 27.95 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.997 . . . . 0.0 109.933 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 2.16 88.13 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.3 pt-20 -144.96 133.77 22.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.519 -0.989 . . . . 0.0 108.705 179.581 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 141.1 33.89 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' B' ' 70' ' ' PHE . 85.7 m-20 -78.36 160.34 27.86 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' B' ' 69' ' ' ASP . 10.2 t80 -46.42 -35.64 5.74 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.287 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.621 -0.675 . . . . 0.0 110.93 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 35.7 mt-10 -60.05 -40.01 87.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.74 -177.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.429 ' O ' HG23 ' B' ' 77' ' ' VAL . 61.1 t80 -69.9 -31.61 69.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.056 -1.027 . . . . 0.0 109.309 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 76.1 mmm -60.01 -38.09 81.62 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.705 -0.622 . . . . 0.0 109.731 -179.004 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.666 -178.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.104 -0.997 . . . . 0.0 110.379 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -60.29 -36.37 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.82 -0.55 . . . . 0.0 110.207 -178.81 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -62.98 -40.02 96.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.537 -178.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 mtm -71.23 -46.21 61.62 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.099 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.0 -38.07 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 118.984 -1.087 . . . . 0.0 109.641 -178.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -39.46 85.78 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -57.28 -39.54 75.9 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.94 87.76 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.3 m -58.73 -34.58 71.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.477 -0.764 . . . . 0.0 109.907 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.018 -1.051 . . . . 0.0 108.517 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.04 -39.94 94.04 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -84.27 -31.29 25.03 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.154 -0.966 . . . . 0.0 110.32 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -94.02 8.66 40.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.202 -0.936 . . . . 0.0 108.611 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.9 98.63 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.634 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -60.16 -37.04 78.94 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.911 -0.493 . . . . 0.0 . 179.628 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 45.06 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.369 -0.832 . . . . 0.0 109.499 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.13 37.97 0.99 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.006 -1.058 . . . . 0.0 109.604 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 52.39 45.39 28.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -60.83 99.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.963 -1.086 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 0.0 109.721 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.4 -40.04 92.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.437 -0.789 . . . . 0.0 109.828 -179.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.63 96.31 1.15 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -102.87 114.84 29.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.4 -1.059 . . . . 0.0 109.64 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' X' ' 103' ' ' SER . 60.4 p -72.21 -24.82 61.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.429 -0.794 . . . . 0.0 109.842 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.407 ' C ' ' O ' ' X' ' 101' ' ' SER . 5.9 t -42.25 -24.78 0.06 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.507 -0.745 . . . . 0.0 109.948 -179.563 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' X' ' 101' ' ' SER . 71.6 m -59.95 -36.78 77.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.499 -0.75 . . . . 0.0 109.467 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.526 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.1 OUTLIER -59.98 -39.45 85.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -0.922 . . . . 0.0 109.365 -179.346 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' X' ' 104' ' ' ARG . 63.4 t60 -59.99 -39.71 86.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.213 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -59.99 -31.26 69.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.147 -0.971 . . . . 0.0 109.401 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -59.34 -40.34 86.05 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.539 -1.351 . . . . 0.0 107.595 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.62 ' HG ' ' HZ1' ' X' ' 111' ' ' LYS . 5.1 tt -66.71 -37.06 83.94 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.444 ' O ' ' C ' ' X' ' 110' ' ' PHE . 13.5 mmt -46.46 -24.36 0.5 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.959 -1.088 . . . . 0.0 110.068 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 1.4 p90 -39.89 -49.44 2.42 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.396 -0.815 . . . . 0.0 109.823 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.62 ' HZ1' ' HG ' ' X' ' 108' ' ' LEU . 11.5 ptpt -73.87 -36.78 64.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' X' ' 111' ' ' LYS . 10.3 m -60.04 -40.02 87.91 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 C--N 1.304 -1.413 0 O-C-N 121.466 -0.771 . . . . 0.0 . 179.293 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 45.17 -166.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.421 -0.8 . . . . 0.0 109.452 -179.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 tp -91.9 37.83 0.98 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.0 -1.062 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 52.38 45.57 28.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.116 -0.99 . . . . 0.0 109.686 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 27.4 t -60.84 99.31 0.08 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.071 -1.018 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.23 -40.11 92.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.249 -0.907 . . . . 0.0 109.769 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.61 -39.96 93.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 0.0 109.881 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.45 96.3 1.13 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.9 115.15 30.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.306 -1.114 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.451 ' O ' ' N ' ' Y' ' 103' ' ' SER . 59.9 p -72.36 -24.86 61.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.407 ' C ' ' O ' ' Y' ' 101' ' ' SER . 6.1 t -42.26 -24.69 0.06 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.474 -0.766 . . . . 0.0 109.994 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.451 ' N ' ' O ' ' Y' ' 101' ' ' SER . 72.5 m -60.0 -36.71 77.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.514 -0.741 . . . . 0.0 109.494 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.538 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 0.1 OUTLIER -59.99 -39.52 86.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.387 -179.405 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' Y' ' 104' ' ' ARG . 66.9 t60 -59.95 -39.65 86.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.219 -0.926 . . . . 0.0 109.192 -179.379 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -60.01 -31.15 69.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -59.77 -40.15 87.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.504 -1.372 . . . . 0.0 107.611 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.594 ' HG ' ' HZ1' ' Y' ' 111' ' ' LYS . 5.0 tt -66.5 -37.38 84.93 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.634 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.45 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 13.9 mmt -46.2 -24.44 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.915 -1.116 . . . . 0.0 110.067 -179.646 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 1.4 p90 -39.91 -49.3 2.42 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -0.784 . . . . 0.0 109.941 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.594 ' HZ1' ' HG ' ' Y' ' 108' ' ' LEU . 11.5 ptpt -74.01 -36.73 64.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.272 -0.893 . . . . 0.0 109.827 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.418 ' N ' ' CG ' ' Y' ' 111' ' ' LYS . 10.9 m -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 . . . . . 0 C--N 1.304 -1.407 0 O-C-N 121.516 -0.74 . . . . 0.0 . 179.239 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.37 32.04 20.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.35 -0.844 . . . . 0.0 109.142 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.55 -1.89 7.7 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.845 0.831 . . . . 0.0 108.919 179.423 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.486 ' HB2' HG21 ' B' ' 13' ' ' VAL . 1.9 tm? -59.81 -35.24 74.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 -177.504 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.89 -40.1 87.58 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.499 -1.376 . . . . 0.0 111.506 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.44 -31.92 60.5 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.36 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.471 -0.768 . . . . 0.0 111.735 -177.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.5 mtt -69.64 -39.13 77.29 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.88 -1.138 . . . . 0.0 109.622 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.89 -33.31 55.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.679 -0.638 . . . . 0.0 109.754 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.78 75.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.513 -0.742 . . . . 0.0 111.262 -179.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.98 -40.26 88.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.468 -1.395 . . . . 0.0 108.398 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.0 -38.69 82.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 O-C-N 121.657 -0.652 . . . . 0.0 110.066 179.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.33 -45.88 91.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.818 -1.176 . . . . 0.0 110.99 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' B' ' 3' ' ' LEU . 2.1 t -63.01 -39.99 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.304 -0.872 . . . . 0.0 111.048 -178.71 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.447 ' O ' ' OG ' ' A' ' 18' ' ' SER . 74.4 t80 -55.78 -39.95 71.95 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.149 -0.969 . . . . 0.0 108.916 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -75.38 -21.5 58.24 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.177 -0.952 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -59.88 -40.5 88.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.526 -1.359 . . . . 0.0 110.993 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 16.3 p90 -119.07 -24.0 6.65 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.098 -1.001 . . . . 0.0 111.328 -179.179 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 53.0 p -67.55 -38.09 83.64 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.616 -1.303 . . . . 0.0 109.461 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.1 -8.89 85.45 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -60.37 -42.62 96.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -1.09 . . . . 0.0 109.687 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.54 162.82 15.71 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.727 0.775 . . . . 0.0 109.916 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.75 -24.87 4.47 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 26' ' ' LYS . 85.7 m-20 -73.31 51.02 0.32 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.671 -1.487 . . . . 0.0 109.635 -179.486 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -71.31 -40.11 71.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.869 -1.144 . . . . 0.0 109.832 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -83.27 -11.59 57.6 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 23' ' ' ASP . 1.9 ptpm? -135.24 159.38 41.74 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 14' ' ' PHE . 7.8 tp -122.53 109.39 14.28 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.016 -1.053 . . . . 0.0 109.869 -178.386 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 30' ' ' SER . 39.6 pttt -89.74 149.73 22.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.778 -1.201 . . . . 0.0 109.046 179.181 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.0 ptpt -38.98 -24.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.121 0.486 . . . . 0.0 110.491 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' LYS . 72.6 m -72.67 -45.24 59.91 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.644 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -68.09 -38.91 82.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.054 -1.029 . . . . 0.0 108.995 179.106 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.86 -39.95 86.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 108.915 179.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HD3' HG21 ' A' ' 53' ' ' VAL . 21.8 tptm -60.0 -39.7 86.69 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.96 -40.03 95.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.576 -0.702 . . . . 0.0 110.92 -178.136 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 17' ' ' TYR . 2.2 tt -67.56 -48.91 65.59 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 120.43 -1.419 . . . . 0.0 108.682 179.644 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -70.26 -43.15 78.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.326 -0.859 . . . . 0.0 111.689 -177.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.2 t-20 -77.9 -36.73 49.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.534 -1.354 . . . . 0.0 111.688 -178.258 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.405 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -98.69 -37.95 9.29 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.786 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.23 -19.07 24.58 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.223 -1.548 . . . . 0.0 110.733 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.2 mt -114.34 51.76 0.87 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.235 -0.915 . . . . 0.0 109.627 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -72.29 -61.66 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.041 -1.037 . . . . 0.0 110.67 -179.433 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -8.76 39.02 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.877 -1.139 . . . . 0.0 109.91 -179.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -48.59 80.24 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.5 pp -159.46 175.62 13.08 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.487 -0.758 . . . . 0.0 109.68 179.562 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 52.8 tp10 -52.85 99.03 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.73 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 pt-20 -63.67 164.28 10.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.4 mm -79.94 140.37 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 110.203 -179.421 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.61 -16.78 14.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 109.988 -179.793 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.39 152.28 48.25 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.248 -0.908 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.3 62.41 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.571 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -61.06 -39.98 91.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.422 -0.799 . . . . 0.0 110.54 -179.003 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.76 -39.85 83.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.467 HG21 ' HD3' ' A' ' 33' ' ' LYS . 46.4 t -63.76 -37.01 78.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.581 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.26 -39.93 94.51 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.046 0.927 . . . . 0.0 109.18 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.46 -39.79 92.42 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.39 -27.69 41.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.88 -32.28 70.54 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.363 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.84 -36.03 67.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -83.05 -48.87 10.13 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.198 -179.74 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.5 mt -89.08 -15.16 34.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.783 -1.198 . . . . 0.0 110.683 -177.667 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.5 t0 -80.09 63.93 4.76 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 118.271 -1.372 . . . . 0.0 107.5 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -59.52 -39.87 85.31 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.419 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.26 -20.09 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.01 76.05 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p-10 -109.99 14.12 23.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.259 -1.142 . . . . 0.0 110.31 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 71.4 17.55 76.25 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 -179.008 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 35.5 tt0 -152.01 138.93 19.0 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.668 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.33 141.62 47.38 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' PHE . 76.5 m-20 -74.97 160.32 30.71 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.338 -0.851 . . . . 0.0 109.0 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' B' ' 82' ' ' THR . 2.6 t80 -46.52 -36.39 6.69 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.176 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.858 -0.526 . . . . 0.0 110.692 178.39 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.13 -40.08 88.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 110.005 -178.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -61.38 -39.76 91.86 Favored 'General case' 0 C--N 1.296 -1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.305 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -60.11 -39.62 86.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.648 -0.657 . . . . 0.0 111.064 -178.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -65.88 -34.16 77.5 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.703 -1.248 . . . . 0.0 110.488 -178.445 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.34 -35.73 76.33 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.035 -1.041 . . . . 0.0 110.585 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -34.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 O-C-N 121.371 -0.831 . . . . 0.0 110.094 -178.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 9.3 p -66.92 -40.21 87.57 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.355 -0.84 . . . . 0.0 110.556 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.6 ptm -75.15 -40.08 59.91 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.464 -178.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 48.9 t -66.41 -36.67 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.557 -1.34 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -59.96 -40.11 87.89 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.444 HG23 ' CE2' ' B' ' 70' ' ' PHE . 11.6 m -55.53 -39.57 70.73 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.578 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -59.98 -35.98 76.16 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 4.8 t -60.01 -34.95 74.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -59.6 -40.19 86.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.866 -1.146 . . . . 0.0 108.506 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.69 -39.49 91.34 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.505 -0.747 . . . . 0.0 109.212 178.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -84.96 -24.18 28.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 111.035 -178.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 90' ' ' HIS . 55.5 t80 -60.74 -24.38 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.222 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -50.89 87.89 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.528 -0.733 . . . . 0.0 109.597 -179.379 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.558 ' N ' ' O ' ' A' ' 88' ' ' PHE . 56.6 p-80 -74.01 -20.03 60.45 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.567 -0.708 . . . . 0.0 . 179.851 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p 60.46 31.75 20.39 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 109.144 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.58 -2.25 8.54 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.913 0.863 . . . . 0.0 108.974 179.401 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 13' ' ' VAL . 2.1 tm? -59.65 -35.07 73.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.826 -177.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -39.68 87.51 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.54 -1.35 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -75.34 -32.29 60.84 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.824 -1.173 . . . . 0.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.16 74.54 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.62 -177.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.1 mtt -69.31 -39.36 78.32 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.959 -1.088 . . . . 0.0 109.67 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.91 -33.38 55.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.562 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.84 75.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.476 -0.765 . . . . 0.0 111.401 -178.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.01 -40.5 89.47 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.627 -1.296 . . . . 0.0 108.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.72 -38.82 83.16 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 121.809 -0.557 . . . . 0.0 110.113 179.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.79 -45.28 95.01 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.806 -1.184 . . . . 0.0 110.909 -179.201 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.486 HG21 ' HB2' ' A' ' 3' ' ' LEU . 2.1 t -63.29 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.309 -0.869 . . . . 0.0 111.004 -178.642 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.442 ' O ' ' OG ' ' B' ' 18' ' ' SER . 69.6 t80 -55.96 -39.5 71.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.072 -1.017 . . . . 0.0 108.853 -179.606 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -75.48 -21.95 57.63 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.078 -1.014 . . . . 0.0 111.073 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.62 -40.63 88.2 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.544 -1.347 . . . . 0.0 111.026 -177.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.7 p90 -119.09 -23.59 6.78 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.121 -0.987 . . . . 0.0 111.362 -179.068 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -68.12 -37.22 80.86 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.574 -1.329 . . . . 0.0 109.529 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 -8.21 86.97 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -1.126 . . . . 0.0 109.548 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -113.34 163.24 15.09 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.685 0.755 . . . . 0.0 109.904 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.88 -25.42 5.03 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' B' ' 26' ' ' LYS . 90.4 m-20 -72.95 50.84 0.28 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.788 -1.419 . . . . 0.0 109.689 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -70.79 -40.07 72.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.882 -1.136 . . . . 0.0 109.622 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.118 -0.989 . . . . 0.0 111.533 -178.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' B' ' 23' ' ' ASP . 1.8 ptpm? -135.85 158.95 43.14 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' B' ' 14' ' ' PHE . 8.0 tp -122.08 109.18 14.24 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.974 -1.079 . . . . 0.0 109.821 -178.287 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 30' ' ' SER . 36.7 pttt -89.05 149.91 23.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.671 -1.268 . . . . 0.0 109.0 179.158 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.3 ptpt -39.19 -24.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.808 -0.558 . . . . 0.0 110.578 179.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 28' ' ' LYS . 65.8 m -72.66 -45.6 58.12 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.631 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.06 -38.85 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.066 . . . . 0.0 108.824 179.323 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.78 -39.97 86.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' B' ' 53' ' ' VAL . 21.3 tptm -60.05 -40.02 87.97 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.31 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.63 -40.0 95.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' B' ' 17' ' ' TYR . 2.3 tt -67.32 -49.14 65.35 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.313 -1.492 . . . . 0.0 108.769 179.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.06 -43.12 79.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.371 -0.83 . . . . 0.0 111.662 -177.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.9 t-20 -78.35 -36.3 46.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.47 -1.394 . . . . 0.0 111.748 -178.168 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.66 -38.31 9.17 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -90.15 -19.28 24.44 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.422 -1.424 . . . . 0.0 110.701 -177.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.2 mt -114.07 51.45 0.87 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.236 -0.915 . . . . 0.0 109.659 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.8 t -71.95 -61.56 1.74 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.069 -1.019 . . . . 0.0 110.942 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 -8.46 38.31 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.858 -1.151 . . . . 0.0 109.839 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -48.98 78.28 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 46' ' ' GLU . 1.7 pp -159.12 174.84 14.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.422 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 52.7 tp10 -52.78 99.55 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.587 -179.503 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 44' ' ' LEU . 15.2 pt-20 -64.04 164.58 10.34 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.463 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.6 mm -80.31 140.18 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.001 -1.062 . . . . 0.0 110.117 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -106.39 -17.2 14.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.536 -0.728 . . . . 0.0 109.803 -179.661 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -138.16 152.52 48.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -21.91 62.09 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.01 -39.96 91.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.415 -0.803 . . . . 0.0 110.449 -179.191 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.91 -39.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.46 HG21 ' HD3' ' B' ' 33' ' ' LYS . 46.6 t -63.65 -36.8 77.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.559 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -62.51 -39.79 94.64 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 122.113 0.959 . . . . 0.0 109.163 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -65.42 -40.41 93.32 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.12 -27.82 41.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.085 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.1 OUTLIER -70.07 -31.8 69.57 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.442 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.15 -36.4 68.23 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 178.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -82.41 -49.02 10.44 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.186 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 mt -88.95 -15.07 35.17 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.835 -1.166 . . . . 0.0 110.841 -177.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.9 t0 -79.94 63.38 4.45 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 118.241 -1.384 . . . . 0.0 107.583 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.38 -39.74 84.32 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -70.07 -20.15 63.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.99 29.99 76.12 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 30.8 p-10 -110.03 14.37 23.01 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.367 -1.078 . . . . 0.0 110.295 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.495 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.86 17.86 75.62 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -179.07 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.3 tt0 -151.95 139.25 19.37 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.808 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 141.9 47.03 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' B' ' 70' ' ' PHE . 76.6 m-20 -75.51 161.0 29.56 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.444 ' CE2' HG23 ' A' ' 82' ' ' THR . 2.5 t80 -46.61 -36.42 6.93 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.071 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -60.47 -49.19 78.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.695 -0.628 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.35 -39.76 88.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 110.202 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.61 -38.99 92.33 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.338 -0.851 . . . . 0.0 109.188 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.99 -39.6 86.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.673 -0.642 . . . . 0.0 111.101 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.11 -33.81 76.62 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.787 -1.195 . . . . 0.0 110.571 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -61.17 -35.04 76.06 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.88 -1.138 . . . . 0.0 110.516 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -68.72 -34.62 65.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 121.295 -0.878 . . . . 0.0 110.0 -178.65 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 5.6 p -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.865 . . . . 0.0 110.496 -178.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 20.7 ptm -75.12 -40.49 59.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.971 -1.081 . . . . 0.0 111.447 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.82 -37.28 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.495 -1.378 . . . . 0.0 109.251 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.9 m -59.9 -39.85 86.79 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.443 HG23 ' CE2' ' A' ' 70' ' ' PHE . 11.7 m -55.41 -40.0 70.91 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.496 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.57 75.1 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' B' ' 88' ' ' PHE . 4.7 t -60.16 -35.02 74.4 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.55 -40.08 86.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.939 -1.101 . . . . 0.0 108.505 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.69 -39.76 91.61 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.13 178.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -84.76 -24.25 28.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' B' ' 90' ' ' HIS . 55.3 t80 -60.89 -24.32 65.88 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.954 -1.091 . . . . 0.0 109.158 -179.544 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -50.82 88.1 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.585 -0.697 . . . . 0.0 109.45 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 88' ' ' PHE . 56.8 p-80 -74.08 -20.54 60.24 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.508 -0.745 . . . . 0.0 . 179.791 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.294 0.568 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -81.59 141.48 33.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.508 -0.745 . . . . 0.0 109.418 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.56 -3.56 58.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 52.87 83.35 0.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.468 -0.77 . . . . 0.0 109.679 178.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 66.4 m -60.06 -40.02 87.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.453 -179.613 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.25 138.61 52.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -154.83 164.57 38.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.55 163.29 36.15 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' X' ' 100' ' ' GLN . 26.9 mp0 -99.01 138.32 36.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.171 -1.194 . . . . 0.0 109.756 -179.696 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -57.71 -25.61 60.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 109.107 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.526 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 81.3 p -50.0 -26.95 4.77 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.494 -0.754 . . . . 0.0 108.995 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 83.6 p -54.44 -25.65 26.28 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.203 -0.935 . . . . 0.0 108.63 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.503 HH11 ' HZ1' ' A' ' 48' ' ' LYS . 99.4 mtt180 -60.07 -39.9 87.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.408 -0.807 . . . . 0.0 109.368 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.9 OUTLIER -57.9 -31.31 66.64 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.557 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.618 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 87.4 tttt -59.91 -32.64 70.95 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.664 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttm -59.5 -40.07 85.83 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.864 -1.147 . . . . 0.0 108.154 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.14 -26.32 64.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 109.878 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -61.98 -24.74 67.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.558 -1.339 . . . . 0.0 109.816 179.856 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -49.75 -31.22 10.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.548 -1.345 . . . . 0.0 109.257 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -79.93 -30.97 40.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.386 -0.821 . . . . 0.0 109.436 179.267 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 77.6 p -59.85 -34.1 72.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.916 -1.115 . . . . 0.0 108.594 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.423 -0.798 . . . . 0.0 . 179.838 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.506 0.67 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -80.7 140.9 35.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.598 -0.689 . . . . 0.0 109.643 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 86.3 mt -87.89 -3.46 58.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 52.98 83.53 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.392 -0.818 . . . . 0.0 109.674 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 68.7 m -59.92 -40.1 87.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.649 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -118.11 137.81 52.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 109.672 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -154.27 164.3 38.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.364 -0.835 . . . . 0.0 109.083 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.21 163.22 38.79 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' Y' ' 100' ' ' GLN . 27.4 mp0 -98.6 138.51 35.69 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -1.182 . . . . 0.0 109.867 -179.331 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 29.2 m -57.54 -25.32 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.401 -0.812 . . . . 0.0 109.138 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 77.5 p -49.96 -26.97 4.72 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.125 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -54.5 -25.56 26.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.935 . . . . 0.0 108.525 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.93 -39.86 86.95 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.444 -0.785 . . . . 0.0 109.531 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.5 OUTLIER -58.1 -31.28 66.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.013 -1.054 . . . . 0.0 108.553 179.925 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 88.2 tttt -60.18 -32.65 71.27 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 60.2 tttm -59.67 -39.72 85.39 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.901 -1.125 . . . . 0.0 108.336 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.38 -26.05 64.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 0.0 109.56 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -62.19 -24.73 67.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.591 -1.318 . . . . 0.0 109.949 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -49.51 -31.51 10.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.561 -1.337 . . . . 0.0 109.266 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -79.68 -31.42 41.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.351 -0.843 . . . . 0.0 109.553 179.504 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 71.3 p -59.72 -33.63 71.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.977 -1.077 . . . . 0.0 108.72 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 . 179.675 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 t 58.49 16.7 4.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.252 -0.905 . . . . 0.0 110.524 179.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 5' ' ' LYS . 41.9 mt-10 -76.01 2.01 13.87 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 108.575 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.25 -28.72 0.34 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.965 -0.459 . . . . 0.0 110.638 -178.516 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -40.01 81.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 0.0 108.564 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -70.01 -38.76 76.03 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.915 -0.491 . . . . 0.0 110.182 -179.9 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.01 82.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 111.136 -178.041 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.7 mtt -66.04 -40.01 90.65 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.936 -1.103 . . . . 0.0 109.751 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.59 -38.84 83.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 109.644 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.91 85.28 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.558 -0.714 . . . . 0.0 111.798 -178.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.708 HD11 HD11 ' B' ' 10' ' ' LEU . 20.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.76 -1.212 . . . . 0.0 108.137 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.98 -40.05 86.29 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.19 -47.22 86.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.678 -1.264 . . . . 0.0 111.124 -178.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -39.97 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.03 -1.044 . . . . 0.0 109.381 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 7.3 t80 -59.71 -37.32 78.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.154 -0.966 . . . . 0.0 109.026 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.4 -33.33 74.96 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.267 -0.896 . . . . 0.0 111.251 -179.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.99 -40.38 88.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.496 -1.378 . . . . 0.0 110.56 -178.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.96 -22.57 17.87 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.955 -1.091 . . . . 0.0 112.148 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.9 p -60.01 -40.01 87.78 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 120.872 -1.143 . . . . 0.0 108.474 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.33 55.79 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -60.01 -47.76 84.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.827 -1.396 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -109.23 -24.22 11.22 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.252 -0.905 . . . . 0.0 109.769 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.41 -16.71 4.08 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.26 75.5 8.22 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.828 -1.395 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.93 -40.03 95.52 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.36 -0.837 . . . . 0.0 109.671 -179.218 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -80.8 -16.55 53.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.809 . . . . 0.0 111.32 -179.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -134.65 150.84 50.7 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.878 -1.139 . . . . 0.0 110.919 -179.11 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.97 130.44 56.53 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 35.9 mtmm -97.32 151.6 19.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.102 -0.999 . . . . 0.0 108.574 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.17 -23.0 0.73 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 28' ' ' LYS . 80.9 p -77.18 -49.94 14.05 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.279 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 28' ' ' LYS . 78.2 mt-10 -61.65 -36.26 80.28 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.455 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -37.53 80.08 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HZ3' ' HB2' ' A' ' 37' ' ' ASN . 22.3 tptp -59.91 -40.08 87.59 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.183 -0.948 . . . . 0.0 109.341 -179.781 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 30' ' ' SER . 5.0 mp0 -69.97 -40.07 75.58 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 110.51 -179.001 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.1 tm? -61.06 -49.02 79.05 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.568 -1.332 . . . . 0.0 108.701 179.166 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.76 -44.62 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.669 -0.645 . . . . 0.0 112.551 -178.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.4 t-20 -79.09 -29.92 43.58 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.583 -1.323 . . . . 0.0 113.808 -175.439 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -101.42 -38.36 8.05 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.076 -1.015 . . . . 0.0 113.229 -176.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' C ' HD22 ' A' ' 40' ' ' LEU . 3.1 tp10 -79.41 -12.51 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.608 -1.308 . . . . 0.0 109.68 -177.441 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.627 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.4 mm? -100.96 50.8 0.86 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.185 -0.947 . . . . 0.0 108.963 179.4 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LEU . 19.0 m -41.53 -56.21 2.62 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.201 -0.937 . . . . 0.0 110.384 -178.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -142.82 1.07 1.28 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.946 -1.096 . . . . 0.0 110.048 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -69.99 -37.74 75.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.02 -1.05 . . . . 0.0 109.754 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.584 ' CB ' HD12 ' A' ' 40' ' ' LEU . 21.6 tp -138.14 155.05 49.11 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.437 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -61.6 115.88 4.3 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.562 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -61.04 165.63 4.09 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.839 0.828 . . . . 0.0 109.812 179.265 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.4 mm -87.14 138.97 18.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 109.748 -178.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.37 148.15 52.16 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.399 -0.813 . . . . 0.0 110.392 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -69.47 -21.83 63.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.0 pt-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.605 -0.685 . . . . 0.0 110.12 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.441 HG13 ' HD1' ' X' ' 105' ' ' HIS . 94.1 t -60.02 -39.62 80.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.177 -0.952 . . . . 0.0 108.642 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.18 -34.26 68.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 110.172 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.21 -38.46 88.03 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 122.004 0.906 . . . . 0.0 109.462 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.23 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.624 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -67.23 -30.89 70.92 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.492 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.62 -39.98 86.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.145 -1.597 . . . . 0.0 106.744 178.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -81.26 -40.2 24.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.629 -0.669 . . . . 0.0 111.215 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' A' ' 76' ' ' PHE . 10.9 mt -88.48 -19.93 25.82 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.892 -1.13 . . . . 0.0 110.778 -178.211 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 46.8 t0 -82.08 60.62 4.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.712 -1.242 . . . . 0.0 107.779 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 79.7 mt-10 -59.96 -39.92 87.29 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.289 0.566 . . . . 0.0 109.573 -178.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD2' ' OE1' ' A' ' 72' ' ' GLU . 68.0 m-20 -76.16 -11.63 59.96 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.659 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.6 31.31 78.22 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 49.0 p-10 -106.33 3.01 27.09 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.215 -1.168 . . . . 0.0 109.431 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.571 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.65 6.39 88.3 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.3 mt-10 -138.21 129.24 27.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.712 -0.875 . . . . 0.0 109.052 -179.429 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.69 127.04 42.3 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' PHE . 89.8 m-20 -77.76 169.64 17.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.784 . . . . 0.0 110.875 -177.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 7.3 t80 -41.37 -42.36 2.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.68 -50.96 63.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.708 -0.62 . . . . 0.0 110.585 179.729 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' OE2' ' N ' ' A' ' 62' ' ' GLU . 39.1 mt-10 -60.0 -42.04 93.39 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.349 -0.844 . . . . 0.0 111.278 -178.101 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.58 -36.76 83.41 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 109.303 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.478 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -39.92 87.98 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.499 0.666 . . . . 0.0 110.944 -178.044 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.98 69.94 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 120.897 -1.127 . . . . 0.0 111.436 -177.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.705 ' HB2' HD21 ' A' ' 60' ' ' LEU . 50.1 t80 -66.37 -36.54 83.12 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.967 -1.083 . . . . 0.0 110.074 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.38 -39.93 84.47 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.437 -0.789 . . . . 0.0 109.792 -179.664 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.455 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -66.16 -40.01 90.21 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.506 -179.077 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 34.8 mtp -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.541 -0.725 . . . . 0.0 111.188 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' A' ' 76' ' ' PHE . 94.7 t -69.54 -33.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.95 -1.094 . . . . 0.0 109.346 -179.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.0 m -59.9 -39.99 87.25 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -40.62 66.59 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.9 88.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.23 -0.919 . . . . 0.0 108.573 178.024 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.0 t -60.03 -31.38 69.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.026 . . . . 0.0 109.25 179.781 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.485 ' CD2' ' CZ ' ' B' ' 70' ' ' PHE . 43.9 t-80 -60.02 -49.34 78.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 0.0 109.863 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -34.54 76.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.804 -1.185 . . . . 0.0 108.696 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -80.34 -21.38 42.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.539 -0.726 . . . . 0.0 109.732 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 44.4 t80 -81.16 -7.77 59.63 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.239 -0.913 . . . . 0.0 109.026 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 63.9 mm-40 -77.57 96.08 4.69 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.156 -0.965 . . . . 0.0 109.285 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.401 ' C ' ' OE1' ' A' ' 91' ' ' GLU . 80.0 m-70 -80.97 -7.75 59.61 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 89' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 . -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t 58.1 16.79 4.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.315 -0.865 . . . . 0.0 110.537 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 5' ' ' LYS . 41.9 mt-10 -75.9 1.62 14.64 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.715 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 48.1 tp -43.15 -28.56 0.3 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.965 -0.46 . . . . 0.0 110.673 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -68.35 -39.94 81.68 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.794 -1.191 . . . . 0.0 108.549 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -70.11 -38.79 75.71 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.9 -0.5 . . . . 0.0 110.279 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.95 83.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.252 -0.905 . . . . 0.0 111.207 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.31 -39.91 89.61 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.57 -39.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 O-C-N 121.66 -0.65 . . . . 0.0 109.666 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.0 85.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 0.0 111.857 -178.028 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.708 HD11 HD11 ' A' ' 10' ' ' LEU . 21.6 mt -60.05 -40.02 88.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.648 -1.283 . . . . 0.0 107.954 -179.236 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.98 -39.94 85.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.521 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 96.7 m-20 -60.17 -47.25 86.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.747 -1.221 . . . . 0.0 111.204 -178.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -40.03 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.965 -1.084 . . . . 0.0 109.394 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 7.4 t80 -59.53 -37.39 78.25 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.109 -0.995 . . . . 0.0 109.05 179.554 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.23 -33.48 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 111.27 -179.049 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.606 ' N ' ' NE2' ' B' ' 16' ' ' GLN . 0.1 OUTLIER -60.04 -40.19 88.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.531 -1.355 . . . . 0.0 110.625 -178.917 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -95.03 -22.56 17.85 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.957 -1.089 . . . . 0.0 112.181 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.93 -40.04 87.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.521 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.34 13.11 56.69 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -60.05 -47.71 84.72 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.841 -1.388 . . . . 0.0 110.78 -178.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.13 -24.38 11.18 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.25 -0.906 . . . . 0.0 109.801 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 -16.96 4.01 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -81.05 75.42 8.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.358 . . . . 0.0 108.301 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.8 -40.03 95.67 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.424 -0.798 . . . . 0.0 109.655 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -80.99 -16.57 53.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.363 -0.836 . . . . 0.0 111.342 -179.127 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -134.7 150.57 50.63 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.857 -1.152 . . . . 0.0 110.861 -179.165 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.56 130.93 56.27 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' B' ' 31' ' ' GLU . 36.2 mtmm -97.59 151.89 19.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.091 -1.006 . . . . 0.0 108.515 179.276 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -48.39 -22.94 0.79 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' B' ' 28' ' ' LYS . 79.3 p -77.13 -50.02 13.94 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.234 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' B' ' 28' ' ' LYS . 82.9 mt-10 -61.51 -36.36 80.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.05 -37.57 80.23 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.453 ' HZ3' ' HB2' ' B' ' 37' ' ' ASN . 21.3 tptp -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.192 -0.943 . . . . 0.0 109.303 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE1' ' O ' ' B' ' 30' ' ' SER . 5.0 mp0 -70.05 -40.02 75.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 110.577 -179.172 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.712 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -60.86 -49.23 78.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.455 -1.403 . . . . 0.0 108.704 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.66 -44.41 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.677 -0.639 . . . . 0.0 112.643 -178.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.4 t-20 -79.08 -30.58 44.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.49 -1.381 . . . . 0.0 113.723 -175.371 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -101.17 -37.89 8.36 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 121.088 -1.008 . . . . 0.0 113.359 -176.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.507 ' C ' HD22 ' B' ' 40' ' ' LEU . 3.0 tp10 -79.6 -12.46 59.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.524 -1.36 . . . . 0.0 109.73 -177.629 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.638 HD22 ' N ' ' B' ' 40' ' ' LEU . 2.3 mm? -101.03 50.89 0.86 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.266 -0.896 . . . . 0.0 108.843 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' B' ' 40' ' ' LEU . 18.6 m -41.68 -56.29 2.68 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.258 -0.901 . . . . 0.0 110.232 -178.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -142.74 1.32 1.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.93 -1.106 . . . . 0.0 110.036 179.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -69.95 -38.04 76.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.031 -1.043 . . . . 0.0 109.701 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.557 ' CB ' HD12 ' B' ' 40' ' ' LEU . 21.1 tp -138.28 155.2 48.84 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.38 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -61.45 115.49 3.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.922 -1.111 . . . . 0.0 108.646 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -60.93 165.5 4.05 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.857 0.837 . . . . 0.0 109.699 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.459 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 5.3 mm -87.09 138.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -106.86 -22.82 12.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 109.724 -179.009 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.29 148.25 52.1 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.394 -0.816 . . . . 0.0 110.433 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -69.38 -21.94 63.75 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.4 pt-20 -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 110.215 -179.215 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.416 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 81.5 t -60.08 -39.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.03 -1.044 . . . . 0.0 108.519 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.84 -34.32 69.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 O-C-N 121.891 -0.506 . . . . 0.0 110.195 -179.402 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.32 -38.36 87.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.94 0.876 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -69.98 -39.16 76.11 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.19 -30.8 51.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.58 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.99 -30.92 71.17 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.514 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.56 -39.98 85.84 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.1 m -81.57 -39.94 23.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.55 -0.719 . . . . 0.0 111.234 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' B' ' 76' ' ' PHE . 10.8 mt -88.52 -20.24 25.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.884 -1.135 . . . . 0.0 110.815 -178.359 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' B' ' 57' ' ' MET . 46.8 t0 -81.8 60.54 4.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.666 -1.271 . . . . 0.0 107.824 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.49 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 79.4 mt-10 -59.98 -40.03 87.71 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.279 0.561 . . . . 0.0 109.5 -178.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' B' ' 72' ' ' GLU . 67.8 m-20 -75.83 -11.58 60.01 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.217 -0.927 . . . . 0.0 108.54 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.39 31.26 78.38 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 49.0 p-10 -106.22 3.15 27.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.204 -1.174 . . . . 0.0 109.366 -179.64 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.557 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.5 6.7 88.12 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -179.219 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 70.7 mt-10 -138.59 129.68 26.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.736 -0.861 . . . . 0.0 108.95 -179.502 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.99 126.67 42.29 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -77.24 169.17 18.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.492 -0.755 . . . . 0.0 110.952 -178.065 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.558 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 7.5 t80 -41.05 -42.28 1.91 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.94 -50.61 63.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.658 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' B' ' 62' ' ' GLU . 39.1 mt-10 -60.44 -41.8 94.8 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.36 -0.838 . . . . 0.0 111.168 -177.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.92 -36.53 82.45 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.018 -1.051 . . . . 0.0 109.234 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.475 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.44 -39.71 88.49 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.5 0.666 . . . . 0.0 110.857 -178.05 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.09 70.28 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.917 -1.114 . . . . 0.0 111.45 -177.731 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.682 ' HB2' HD21 ' B' ' 60' ' ' LEU . 48.9 t80 -66.63 -36.17 81.93 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.933 -1.105 . . . . 0.0 110.079 -179.543 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.94 85.13 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 O-C-N 121.446 -0.784 . . . . 0.0 109.727 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.456 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -66.27 -39.97 89.8 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.111 -1.036 . . . . 0.0 109.521 -179.011 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 34.4 mtp -64.26 -40.95 97.05 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.532 -0.73 . . . . 0.0 111.251 -179.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.453 HG21 ' CE2' ' B' ' 76' ' ' PHE . 97.0 t -69.52 -33.72 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 -179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.07 -39.96 87.86 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -40.34 65.79 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.02 89.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.187 -0.946 . . . . 0.0 108.496 177.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.8 t -59.96 -31.39 69.83 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.02 -1.05 . . . . 0.0 109.322 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.528 ' CD2' ' CZ ' ' A' ' 70' ' ' PHE . 44.2 t-80 -59.94 -49.54 77.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.977 -1.077 . . . . 0.0 109.884 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -34.66 76.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.724 -1.235 . . . . 0.0 108.717 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.3 -21.38 42.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.463 -0.773 . . . . 0.0 109.74 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 44.4 t80 -81.23 -7.57 59.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.276 -0.89 . . . . 0.0 109.071 -179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.43 ' O ' ' OE1' ' B' ' 91' ' ' GLU . 63.2 mm-40 -77.82 95.94 4.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.086 -1.008 . . . . 0.0 109.22 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -80.85 -8.03 59.6 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 89' ' ' GLU . 59.0 mp0 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.41 -0.806 . . . . 0.0 . -179.394 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.239 0.542 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.699 ' CG ' ' H ' ' X' ' 94' ' ' LEU . 42.0 t60 49.85 -143.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.699 ' H ' ' CG ' ' X' ' 93' ' ' HIS . 86.4 mt 49.39 -141.75 0.64 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.482 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -158.86 139.11 12.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.12 -0.988 . . . . 0.0 109.488 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -70.17 158.85 35.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.171 -0.956 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -143.02 150.02 39.05 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.274 -0.891 . . . . 0.0 109.485 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.69 -40.01 93.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 0.0 109.187 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.13 156.14 6.68 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.05 158.53 44.24 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.247 -1.149 . . . . 0.0 109.53 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 81.1 p -64.0 -25.0 67.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.369 -0.832 . . . . 0.0 109.632 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 90.0 m -50.05 -29.4 8.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -0.963 . . . . 0.0 108.956 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 44.1 t -59.95 -41.29 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.371 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER -60.66 -40.02 90.52 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.374 -0.829 . . . . 0.0 109.313 178.849 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.441 ' HD1' HG13 ' A' ' 52' ' ' VAL . 69.8 t60 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.179 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.56 -33.66 74.24 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.98 -43.21 95.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.314 -178.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.526 ' CD2' ' NZ ' ' X' ' 111' ' ' LYS . 2.9 tp -73.07 -29.19 62.77 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.103 -0.998 . . . . 0.0 109.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.537 ' O ' ' N ' ' X' ' 112' ' ' THR . 30.5 mmt -56.93 -24.23 51.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.992 -1.067 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 6.4 p90 -40.01 -46.99 2.2 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.201 -0.937 . . . . 0.0 109.624 -179.274 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.612 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 24.5 pttt -69.7 -32.9 71.76 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.186 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.537 ' N ' ' O ' ' X' ' 109' ' ' MET . 89.4 m -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.592 -0.692 . . . . 0.0 109.16 -178.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.359 -0.838 . . . . 0.0 . -179.826 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.253 0.549 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.692 ' CG ' ' H ' ' Y' ' 94' ' ' LEU . 44.4 t60 49.76 -143.39 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.0 109.397 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.692 ' H ' ' CG ' ' Y' ' 93' ' ' HIS . 85.9 mt 49.45 -141.96 0.63 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -158.85 139.13 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.2 -0.938 . . . . 0.0 109.513 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 95.9 p -70.1 158.98 34.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.185 -0.947 . . . . 0.0 109.585 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -143.33 149.93 38.47 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.29 -0.881 . . . . 0.0 109.545 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.33 -39.98 92.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.46 156.35 6.76 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -136.93 158.67 43.93 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.261 -1.14 . . . . 0.0 109.525 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -64.03 -24.88 67.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.39 -0.819 . . . . 0.0 109.619 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 87.3 m -50.23 -29.47 9.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.201 -0.937 . . . . 0.0 108.967 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -60.0 -41.02 91.21 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -60.6 -39.99 90.15 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.399 -0.813 . . . . 0.0 109.29 178.701 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 109.277 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.49 -34.03 74.79 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.51 -0.744 . . . . 0.0 109.042 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -59.96 -43.22 95.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 110.425 -178.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.527 ' CD2' ' NZ ' ' Y' ' 111' ' ' LYS . 3.3 tp -73.13 -29.02 62.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.046 -1.034 . . . . 0.0 109.26 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.529 ' O ' ' N ' ' Y' ' 112' ' ' THR . 30.4 mmt -57.12 -24.23 52.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.083 -1.011 . . . . 0.0 110.608 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 6.3 p90 -39.94 -47.21 2.18 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.155 -0.966 . . . . 0.0 109.652 -179.237 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' Y' ' 110' ' ' PHE . 25.2 pttt -69.19 -34.01 74.25 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.529 ' N ' ' O ' ' Y' ' 109' ' ' MET . 84.9 m -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.653 -0.654 . . . . 0.0 109.381 -179.223 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.535 -0.728 . . . . 0.0 . -179.474 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.573 ' H ' HE22 ' B' ' 16' ' ' GLN . 1.4 m 60.0 32.78 21.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -75.93 23.4 0.13 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.153 -0.967 . . . . 0.0 109.406 179.607 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 1' ' ' SER . 56.1 tp -59.65 -26.81 65.82 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.916 -0.713 . . . . 0.0 109.083 -179.767 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.48 -39.98 92.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.171 -0.956 . . . . 0.0 108.988 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -68.3 -40.02 81.88 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.926 -0.484 . . . . 0.0 110.812 -178.644 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.04 74.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 111.353 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.36 -39.93 89.44 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.041 -1.037 . . . . 0.0 109.683 -179.18 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.17 -37.05 78.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.76 88.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.802 -0.561 . . . . 0.0 111.47 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CE ' ' A' ' 74' ' ' MET . 39.3 mt -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.667 -1.271 . . . . 0.0 108.238 -179.052 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.96 -37.3 72.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 121.793 -0.567 . . . . 0.0 110.477 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.11 -43.48 98.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.016 -1.053 . . . . 0.0 111.638 -178.342 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -39.89 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.04 -1.038 . . . . 0.0 109.094 -178.773 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.08 -39.29 69.13 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.98 74.11 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.424 -0.798 . . . . 0.0 110.542 -179.413 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.639 HE22 ' H ' ' B' ' 1' ' ' SER . 74.9 mt-30 -59.95 -40.0 87.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.911 -1.118 . . . . 0.0 111.421 -178.446 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.89 -24.96 17.52 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.791 -1.193 . . . . 0.0 112.207 -178.158 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 p -60.2 -40.08 88.82 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.761 -1.212 . . . . 0.0 109.314 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.2 9.1 67.88 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.93 -50.08 75.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.939 -1.33 . . . . 0.0 111.398 -178.347 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.19 13.47 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 -179.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 123.58 -20.66 7.32 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.555 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 21.2 m-20 -73.01 62.66 0.63 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.582 -1.54 . . . . 0.0 108.36 179.622 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' GLY . 34.3 ttpt -60.11 -38.14 82.09 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.137 -179.475 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.75 -22.02 54.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.186 -0.946 . . . . 0.0 111.377 -178.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -148.5 159.67 43.83 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.555 -1.34 . . . . 0.0 110.879 -178.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 mt -107.84 137.52 45.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.736 -0.602 . . . . 0.0 109.785 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 30' ' ' SER . 24.5 mtpp -97.64 154.12 17.77 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.5 ptpp? -49.43 -23.27 1.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.267 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 28' ' ' LYS . 95.0 p -76.3 -47.26 24.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.449 179.617 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 94.7 mt-10 -68.82 -35.69 77.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.356 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.7 tp -60.01 -40.27 88.65 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' NZ ' ' OD1' ' A' ' 37' ' ' ASN . 63.7 tttm -60.13 -40.09 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.351 -0.843 . . . . 0.0 109.925 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.95 -40.02 91.69 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.29 -50.08 71.5 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.924 -1.11 . . . . 0.0 109.213 179.139 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 47' ' ' ILE . 95.7 mt -68.53 -45.93 81.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.497 -0.752 . . . . 0.0 111.976 -177.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 47' ' ' ILE . 1.9 m-80 -71.2 -40.02 71.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.85 -1.156 . . . . 0.0 111.773 -178.521 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 3.6 m120 -100.28 -32.95 10.61 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.181 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -79.99 -15.77 56.57 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 119.929 -1.732 . . . . 0.0 108.941 -178.198 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 44' ' ' LEU . 29.2 mt -116.18 61.06 0.72 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.078 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.2 p -50.11 -57.16 8.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.211 -0.931 . . . . 0.0 110.211 -179.009 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -139.65 0.83 1.86 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.148 -0.97 . . . . 0.0 109.765 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.07 -36.87 75.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.268 -0.895 . . . . 0.0 109.831 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 40' ' ' LEU . 6.1 tp -134.97 160.77 37.25 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.04 112.94 2.08 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.256 -0.977 . . . . 0.0 109.208 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.81 167.2 11.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.863 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 36' ' ' ILE . 48.6 mt -106.5 129.86 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -104.21 -22.25 13.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.381 -0.824 . . . . 0.0 110.121 -178.024 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -117.9 139.97 50.38 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.347 -0.846 . . . . 0.0 109.699 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.733 HE21 ' H ' ' A' ' 51' ' ' GLU . 1.3 pm0 -66.65 -19.93 65.88 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.733 ' H ' HE21 ' A' ' 50' ' ' GLN . 0.6 OUTLIER -60.39 -39.92 89.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 -179.788 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.08 -39.25 79.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.63 -37.42 79.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.354 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 50.3 t0 -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.145 0.974 . . . . 0.0 109.4 -179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.73 -39.97 84.21 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 122.084 0.945 . . . . 0.0 108.477 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.93 -27.46 37.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -66.34 -39.77 89.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.549 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -57.37 -39.92 77.03 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.234 -1.541 . . . . 0.0 107.759 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -76.96 -45.18 28.55 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.535 -0.728 . . . . 0.0 111.65 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -90.15 -16.09 30.26 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.724 -1.235 . . . . 0.0 110.956 -178.183 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.7 t0 -81.84 63.29 6.02 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 178.711 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -60.04 -40.01 87.91 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.085 -177.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -82.05 -6.62 59.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.173 -0.954 . . . . 0.0 109.2 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.02 37.6 95.21 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.49 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 36.5 p-10 -106.31 3.35 27.49 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.117 -1.225 . . . . 0.0 109.423 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.02 5.94 89.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 61.5 mt-10 -140.02 136.43 33.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.584 -0.95 . . . . 0.0 108.49 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.17 48.0 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.882 -1.136 . . . . 0.0 108.733 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.79 161.21 30.27 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.583 -0.698 . . . . 0.0 109.263 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.38 -34.4 47.71 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.088 -1.007 . . . . 0.0 108.423 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -70.03 -37.58 75.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.483 -0.76 . . . . 0.0 109.952 179.148 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.38 -43.39 86.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.445 -1.409 . . . . 0.0 109.084 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.06 -24.56 63.27 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.69 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.454 ' CE ' HD13 ' A' ' 10' ' ' LEU . 8.2 tpt -60.02 -39.09 84.65 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.99 -35.17 76.41 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.243 -0.91 . . . . 0.0 110.31 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -61.26 -39.96 92.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.911 . . . . 0.0 110.19 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.46 -38.42 80.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.614 -0.679 . . . . 0.0 110.033 -178.688 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -40.02 95.42 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.915 -1.114 . . . . 0.0 109.388 -179.177 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.4 mtp -68.85 -40.28 79.47 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.428 -0.795 . . . . 0.0 111.679 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG22 ' NZ ' ' X' ' 111' ' ' LYS . 61.2 t -66.85 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.974 -1.079 . . . . 0.0 109.92 -179.44 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.15 -39.89 87.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -37.5 50.68 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.497 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.99 85.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.9 t -60.05 -38.53 83.06 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.491 -0.755 . . . . 0.0 109.674 -179.77 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -59.97 -40.0 87.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 109.033 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.54 -37.07 80.02 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 108.885 179.036 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -89.02 -24.29 22.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.564 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.7 t80 -90.16 63.95 5.97 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.734 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -83.41 99.59 10.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.1 -1.0 . . . . 0.0 109.109 -179.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -70.02 -13.49 62.25 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 . 179.609 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.639 ' H ' HE22 ' A' ' 16' ' ' GLN . 1.4 m 60.05 32.75 21.16 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.117 -0.99 . . . . 0.0 110.134 179.319 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -75.98 23.74 0.13 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 179.698 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 1' ' ' SER . 54.1 tp -59.93 -26.65 66.12 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.08 -179.807 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.54 -40.02 92.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.13 -0.981 . . . . 0.0 108.944 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.29 -40.04 81.93 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.893 -0.505 . . . . 0.0 110.793 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.91 74.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.0 111.328 -178.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.43 -39.98 89.24 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.041 -1.037 . . . . 0.0 109.668 -179.233 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.02 -37.19 78.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.89 88.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.783 -0.573 . . . . 0.0 111.484 -178.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.46 HD13 ' CE ' ' B' ' 74' ' ' MET . 41.4 mt -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.72 -1.238 . . . . 0.0 108.22 -178.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.04 -37.4 72.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.796 -0.565 . . . . 0.0 110.432 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.07 -43.51 98.67 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.93 -1.106 . . . . 0.0 111.648 -178.309 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.63 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 109.166 -178.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.31 -39.42 69.91 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -34.88 73.96 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.371 -0.831 . . . . 0.0 110.476 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.573 HE22 ' H ' ' A' ' 1' ' ' SER . 74.8 mt-30 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.874 -1.141 . . . . 0.0 111.357 -178.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -93.86 -24.9 17.57 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.827 -1.171 . . . . 0.0 112.22 -178.127 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -60.29 -39.96 88.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.796 -1.19 . . . . 0.0 109.311 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.28 9.13 68.05 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.825 -1.397 . . . . 0.0 111.416 -178.292 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -112.6 -12.23 13.46 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.336 -0.853 . . . . 0.0 110.123 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 123.69 -20.72 7.26 Favored Glycine 0 N--CA 1.502 3.048 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.592 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 26' ' ' LYS . 21.1 m-20 -72.96 62.56 0.61 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.516 -1.579 . . . . 0.0 108.371 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 22' ' ' GLY . 33.8 ttpt -60.07 -38.17 82.06 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.408 -0.807 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 -21.83 54.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.202 -0.936 . . . . 0.0 111.46 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' ASP . 57.3 pttt -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.582 -1.324 . . . . 0.0 110.903 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.7 mt -107.87 137.5 45.77 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.801 -0.562 . . . . 0.0 109.82 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' B' ' 30' ' ' SER . 24.5 mtpp -97.6 154.15 17.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -49.45 -23.15 1.41 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 28' ' ' LYS . 87.3 p -76.36 -47.19 24.27 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 93.5 mt-10 -68.96 -35.67 77.03 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.361 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -40.31 88.84 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.15 -39.98 88.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 110.005 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.12 -40.02 92.19 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.905 . . . . 0.0 108.952 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.12 -49.96 72.34 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.917 -1.114 . . . . 0.0 109.258 178.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' B' ' 47' ' ' ILE . 92.2 mt -68.83 -45.67 80.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 112.018 -177.717 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 47' ' ' ILE . 1.9 m-80 -71.31 -39.99 71.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.855 -1.153 . . . . 0.0 111.738 -178.563 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' B' ' 38' ' ' ASN . 3.5 m120 -100.46 -32.96 10.55 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -176.138 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -80.01 -15.49 57.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 119.927 -1.733 . . . . 0.0 109.015 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' B' ' 44' ' ' LEU . 31.2 mt -116.23 60.83 0.72 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.046 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 98.4 p -50.04 -57.17 8.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.172 -178.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -139.67 0.74 1.85 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.182 -0.949 . . . . 0.0 109.743 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.93 -36.83 75.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.469 ' HB3' HD13 ' B' ' 40' ' ' LEU . 5.5 tp -135.14 160.57 37.95 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -59.89 113.04 2.09 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.157 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.85 167.18 11.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 109.895 179.279 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.43 ' CD1' HG21 ' B' ' 36' ' ' ILE . 47.2 mt -106.42 129.84 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -104.12 -22.28 13.44 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.456 -0.777 . . . . 0.0 110.225 -178.122 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.78 140.0 50.3 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.447 -0.783 . . . . 0.0 109.749 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.71 HE21 ' N ' ' B' ' 51' ' ' GLU . 1.3 pm0 -66.75 -19.96 65.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.71 ' N ' HE21 ' B' ' 50' ' ' GLN . 0.6 OUTLIER -60.25 -40.04 88.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.829 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.04 -39.31 79.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.737 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.55 -37.39 79.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 50.3 t0 -61.75 -39.59 92.13 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 122.04 0.924 . . . . 0.0 109.335 -179.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.65 -39.99 84.57 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.09 -27.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.537 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -66.32 -39.75 89.5 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.463 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.36 -39.95 77.06 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 120.301 -1.499 . . . . 0.0 107.751 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -77.07 -44.88 29.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.497 -0.752 . . . . 0.0 111.721 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -90.33 -16.17 29.72 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.688 -1.257 . . . . 0.0 110.915 -178.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -81.79 63.26 5.97 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.722 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.94 -40.0 87.45 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.149 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -82.18 -6.55 59.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.105 -0.997 . . . . 0.0 109.2 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.47 95.0 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.987 -1.102 . . . . 0.0 110.533 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 36.6 p-10 -106.22 3.44 27.81 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -1.223 . . . . 0.0 109.419 179.812 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.03 5.81 89.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.7 mt-10 -139.98 136.41 33.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.969 . . . . 0.0 108.444 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.6 128.18 47.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.833 -1.167 . . . . 0.0 108.812 179.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 161.29 30.19 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.577 -0.702 . . . . 0.0 109.232 -179.276 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -52.48 -34.22 48.23 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.13 -0.981 . . . . 0.0 108.368 -179.325 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -70.08 -37.6 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.52 -0.737 . . . . 0.0 109.978 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 -43.46 85.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.479 -1.388 . . . . 0.0 109.036 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -70.0 -24.57 63.33 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.723 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.46 ' CE ' HD13 ' B' ' 10' ' ' LEU . 8.3 tpt -60.05 -39.05 84.62 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.895 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.16 76.4 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 110.331 -179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.18 -40.0 92.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.267 -0.896 . . . . 0.0 110.165 -179.512 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.418 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -61.51 -38.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.609 -0.682 . . . . 0.0 110.097 -178.684 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -39.99 95.48 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.408 -179.325 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 30.9 mtp -69.12 -40.05 78.55 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.491 -0.756 . . . . 0.0 111.671 -178.412 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.99 -39.01 82.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 120.934 -1.104 . . . . 0.0 109.882 -179.436 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -37.4 50.62 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -179.495 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.78 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.8 t -59.97 -38.79 83.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -59.89 -40.05 87.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.119 -0.988 . . . . 0.0 109.065 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 108.885 179.058 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.14 -24.25 22.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.522 -0.736 . . . . 0.0 109.55 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.7 t80 -90.27 64.06 5.92 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -83.46 99.42 10.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -69.98 -13.53 62.28 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.733 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.826 . . . . 0.0 . 179.634 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -96.3 2.49 52.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.318 -0.864 . . . . 0.0 109.691 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.38 149.72 47.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.108 -0.995 . . . . 0.0 109.464 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.4 121.02 32.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.376 -0.827 . . . . 0.0 109.606 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 46.7 t -150.26 156.56 41.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.258 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.48 156.37 48.22 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.389 -0.82 . . . . 0.0 109.036 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -158.9 160.01 35.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.612 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . 0.476 ' C ' ' NE2' ' X' ' 100' ' ' GLN . . . 97.58 173.68 33.72 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 179.266 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' X' ' 99' ' ' GLY . 20.1 mp0 -127.33 170.41 12.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.859 . . . . 0.0 109.02 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 70.0 m -50.01 -25.33 3.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.093 -1.005 . . . . 0.0 108.433 179.172 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 69.0 p -50.27 -25.32 3.6 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.268 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -53.55 -28.35 31.25 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 55.9 mtt-85 -60.04 -43.11 95.58 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.771 0.796 . . . . 0.0 109.091 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.379 -0.825 . . . . 0.0 108.89 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -59.49 -25.99 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.94 -40.05 87.63 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.626 HD21 ' HZ1' ' X' ' 111' ' ' LYS . 2.9 tp -65.38 -37.08 85.91 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.757 0.789 . . . . 0.0 109.437 178.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -51.2 -24.09 3.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.765 -1.209 . . . . 0.0 109.933 -179.366 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.612 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 5.7 p90 -39.77 -47.59 2.1 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.185 -0.947 . . . . 0.0 109.74 -178.402 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.626 ' HZ1' HD21 ' X' ' 108' ' ' LEU . 33.8 pttt -69.97 -33.01 71.53 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.237 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.532 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.4 m -60.03 -37.59 80.23 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.612 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 . 179.962 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -96.4 2.62 52.81 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.353 -0.842 . . . . 0.0 109.648 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.25 149.63 47.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.206 -0.934 . . . . 0.0 109.448 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.38 121.13 32.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 109.544 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.2 t -150.38 156.5 41.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.35 -0.844 . . . . 0.0 109.293 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 156.42 48.21 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.371 -0.83 . . . . 0.0 109.057 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -158.92 159.93 35.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.353 -0.842 . . . . 0.0 109.729 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . 0.476 ' C ' ' NE2' ' Y' ' 100' ' ' GLN . . . 97.74 173.65 33.48 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.272 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' Y' ' 99' ' ' GLY . 20.2 mp0 -127.42 170.3 12.69 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.786 -0.832 . . . . 0.0 108.99 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m -50.02 -25.32 3.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 0.0 108.396 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 66.4 p -50.15 -25.34 3.46 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.202 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 79.0 p -53.53 -28.49 31.78 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' Y' ' 104' ' ' ARG . 60.2 mtt-85 -59.98 -42.96 95.33 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.435 -0.791 . . . . 0.0 109.15 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -60.18 -39.94 88.23 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.383 -0.823 . . . . 0.0 108.889 179.431 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -59.52 -25.93 64.9 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 178.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.626 HD21 ' NZ ' ' Y' ' 111' ' ' LYS . 2.7 tp -65.47 -36.82 85.03 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 121.85 0.833 . . . . 0.0 109.504 178.783 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -51.51 -23.93 4.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.702 -1.249 . . . . 0.0 109.909 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 5.8 p90 -39.87 -47.35 2.15 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.217 -0.927 . . . . 0.0 109.767 -178.484 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.626 ' NZ ' HD21 ' Y' ' 108' ' ' LEU . 32.0 pttt -70.08 -33.2 71.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.53 ' N ' ' O ' ' Y' ' 109' ' ' MET . 49.1 m -60.06 -36.95 78.45 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.578 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.48 -0.763 . . . . 0.0 . 179.907 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 3' ' ' LEU . 2.3 t 57.86 29.13 17.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.303 -0.873 . . . . 0.0 109.675 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 2' ' ' GLU . 11.2 pt-20 -76.13 12.19 1.24 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.421 -0.799 . . . . 0.0 108.889 179.276 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -60.03 -33.68 72.34 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.592 -0.693 . . . . 0.0 110.498 -178.415 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.11 -40.04 88.29 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.76 -1.212 . . . . 0.0 110.562 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -68.01 -39.63 83.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.975 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.05 89.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 0.0 111.172 -178.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.6 mtt -65.02 -39.95 94.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.84 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 121.377 0.608 . . . . 0.0 110.334 -179.061 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -40.04 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.418 -0.801 . . . . 0.0 111.682 -177.714 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.97 -40.05 87.75 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.918 -1.114 . . . . 0.0 108.398 -178.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.56 -39.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.697 -0.627 . . . . 0.0 110.375 179.228 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.706 -1.246 . . . . 0.0 111.259 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -34.45 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.019 -1.051 . . . . 0.0 110.26 -179.154 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' A' ' 18' ' ' SER . 87.4 t80 -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.484 -1.385 . . . . 0.0 107.997 -179.548 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -77.99 -22.1 49.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 179.193 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -53.09 -45.88 68.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 110.5 -178.148 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 27' ' ' LEU . 16.5 p90 -116.19 -25.15 7.69 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.598 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 24.1 m -62.68 -47.12 85.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.649 -1.282 . . . . 0.0 110.844 -178.85 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.16 18.58 3.3 Favored Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.052 -1.071 . . . . 0.0 110.922 -178.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -60.11 -42.62 95.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.81 -1.406 . . . . 0.0 110.638 -179.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -112.56 -38.75 4.54 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.185 -0.947 . . . . 0.0 109.607 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . 156.17 -6.55 0.23 Allowed Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -71.82 52.33 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.464 -1.609 . . . . 0.0 108.106 179.709 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' GLY . 32.9 ttpt -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.21 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 8.3 p80 -88.14 -4.97 58.68 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 111.057 -178.808 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 24.7 pttm -149.22 150.27 32.33 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.883 -1.135 . . . . 0.0 108.92 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 17' ' ' TYR . 7.0 tp -113.55 128.38 56.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 -179.012 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' A' ' 30' ' ' SER . 95.9 mttt -95.06 149.79 20.88 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.003 -1.06 . . . . 0.0 109.051 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -48.51 -21.5 0.57 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.476 ' N ' ' C ' ' A' ' 28' ' ' LYS . 41.2 t -70.93 -53.7 14.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.595 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.7 -32.41 74.07 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.516 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.03 -40.14 88.31 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' A' ' 47' ' ' ILE . 43.6 tptt -62.55 -40.07 95.64 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.585 -0.697 . . . . 0.0 110.123 179.033 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.47 -39.93 95.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 110.472 -178.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 17' ' ' TYR . 1.3 tt -68.94 -44.84 72.22 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.618 -1.301 . . . . 0.0 109.097 179.641 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG21 ' CD1' ' A' ' 47' ' ' ILE . 87.8 mt -71.9 -41.07 69.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 112.369 -177.121 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.18 -31.23 27.23 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.3 -1.5 . . . . 0.0 111.516 -178.174 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.92 -39.29 8.24 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.434 -0.791 . . . . 0.0 112.97 -177.545 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -90.04 -22.32 21.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.453 -1.404 . . . . 0.0 110.387 -177.794 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 mt -114.5 47.5 1.23 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.4 -0.812 . . . . 0.0 108.948 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -64.73 -41.24 96.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.188 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.65 -13.05 2.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.127 -0.983 . . . . 0.0 110.351 -178.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -70.04 -38.09 75.75 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.035 -1.04 . . . . 0.0 109.891 -179.131 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' A' ' 45' ' ' GLU . 3.7 tp -130.39 -144.6 0.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.345 -0.847 . . . . 0.0 109.609 -179.746 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' H ' ' CG ' ' A' ' 44' ' ' LEU . 86.4 tt0 -93.08 107.56 19.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.554 -0.716 . . . . 0.0 109.29 -179.883 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -67.22 133.63 50.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 179.036 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CD1' HG21 ' A' ' 36' ' ' ILE . 66.4 mt -89.44 139.88 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.75 -1.219 . . . . 0.0 108.835 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -110.31 -24.56 10.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.815 -0.553 . . . . 0.0 110.773 -177.78 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -119.23 145.52 45.99 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.427 -0.796 . . . . 0.0 110.211 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.99 -21.52 64.14 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -63.31 -39.79 95.54 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.38 -0.825 . . . . 0.0 110.077 -179.703 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.98 -40.01 81.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -61.3 -40.0 84.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.47 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 61.4 t0 -61.6 -39.46 91.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.931 -179.422 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 122.01 0.91 . . . . 0.0 108.856 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.22 -33.15 61.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.402 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.9 mmm -70.99 -28.89 64.76 Favored 'General case' 0 C--O 1.198 -1.65 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.719 179.613 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -58.55 -39.8 81.23 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -74.71 -44.61 49.17 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.213 178.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.7 mt -89.25 -14.91 34.82 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.893 -1.129 . . . . 0.0 111.022 -178.125 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' MET . 61.8 t0 -81.19 62.61 5.2 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 178.768 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 77.5 mt-10 -59.99 -39.72 86.71 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.623 -178.066 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -80.95 -7.35 59.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 36.93 92.14 Favored Glycine 0 N--CA 1.497 2.747 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.84 178.595 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 40.1 p-10 -107.36 2.28 24.33 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.038 -1.272 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 80.89 1.59 89.76 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.39 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 83.8 mt-10 -134.21 136.46 43.7 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.91 124.78 45.6 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.85 -1.156 . . . . 0.0 108.649 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 51.7 t0 -63.3 160.48 15.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.179 -0.951 . . . . 0.0 109.183 -179.072 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.8 t80 -48.14 -38.64 18.38 Favored 'General case' 0 C--O 1.205 -1.26 0 O-C-N 121.144 -0.972 . . . . 0.0 108.79 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.96 -39.6 75.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.705 -0.622 . . . . 0.0 110.219 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.1 mt-10 -62.81 -46.09 89.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 109.544 -179.405 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.47 -25.77 63.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 108.501 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.7 tpt -59.98 -39.17 84.77 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.049 -179.362 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 80' ' ' VAL . 87.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.919 -1.113 . . . . 0.0 109.715 179.775 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.443 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -63.97 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.739 -0.6 . . . . 0.0 109.701 -179.224 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -66.14 -42.6 88.87 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.32 -178.521 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -69.95 -40.32 75.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.373 -1.454 . . . . 0.0 111.387 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 76' ' ' PHE . 41.1 t -64.53 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.206 -178.624 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -59.93 -40.09 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.542 HG23 ' CE2' ' B' ' 70' ' ' PHE . 0.7 OUTLIER -55.38 -35.77 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.344 -0.847 . . . . 0.0 109.073 178.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.99 -36.25 76.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.0 109.669 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.88 -1.137 . . . . 0.0 108.992 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.16 -40.11 96.6 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.288 -0.883 . . . . 0.0 109.168 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -77.46 -45.83 24.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.022 -179.869 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.3 m-30 -95.9 65.26 2.51 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.355 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -84.2 101.85 12.18 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.443 -0.785 . . . . 0.0 109.287 -179.456 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -70.01 -18.94 63.34 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 . -179.608 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 99.8 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.293 0.568 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.431 ' C ' ' H ' ' B' ' 3' ' ' LEU . 2.2 t 58.04 28.71 16.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.24 -0.913 . . . . 0.0 109.733 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' B' ' 2' ' ' GLU . 11.1 pt-20 -75.77 12.12 1.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 108.924 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -60.01 -33.6 72.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.538 -0.726 . . . . 0.0 110.503 -178.319 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.03 -40.07 88.07 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.749 -1.22 . . . . 0.0 110.574 -179.551 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.2 -39.61 82.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.248 -0.908 . . . . 0.0 109.92 -179.13 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.94 89.36 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.357 -0.839 . . . . 0.0 111.148 -178.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -65.06 -39.93 93.96 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.03 -1.044 . . . . 0.0 110.211 -179.07 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.91 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-O 121.411 0.624 . . . . 0.0 110.396 -179.056 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.98 75.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.421 -0.8 . . . . 0.0 111.608 -177.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.97 -39.99 87.55 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.864 -1.147 . . . . 0.0 108.326 -179.017 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.47 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.309 179.212 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.32 -40.03 96.19 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.719 -1.238 . . . . 0.0 111.259 -178.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -34.57 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.974 -1.079 . . . . 0.0 110.272 -179.084 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.95 -39.97 87.41 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.539 -1.35 . . . . 0.0 107.992 -179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -78.17 -22.12 49.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.43 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -53.08 -45.71 68.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.148 -0.97 . . . . 0.0 110.488 -178.182 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.452 ' CE2' HD11 ' B' ' 27' ' ' LEU . 16.1 p90 -116.31 -25.11 7.65 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 121.219 -0.926 . . . . 0.0 111.588 -179.027 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.0 m -62.73 -47.18 84.69 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.688 -1.257 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.02 18.55 3.21 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 120.066 -1.064 . . . . 0.0 110.948 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -60.11 -42.46 94.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.815 -1.403 . . . . 0.0 110.725 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -112.71 -39.22 4.36 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.078 -1.014 . . . . 0.0 109.537 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . 156.7 -6.57 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.759 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -71.67 51.95 0.2 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.509 -1.583 . . . . 0.0 108.198 179.746 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 22' ' ' GLY . 32.6 ttpt -66.54 -40.01 88.86 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 110.522 -179.275 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.565 ' H ' ' CD2' ' B' ' 25' ' ' HIS . 8.4 p80 -88.32 -4.74 58.63 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.886 -1.133 . . . . 0.0 111.073 -178.771 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' B' ' 23' ' ' ASP . 24.6 pttm -149.36 150.2 32.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.838 -1.164 . . . . 0.0 108.869 179.137 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' B' ' 17' ' ' TYR . 7.1 tp -113.52 128.52 56.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.293 -0.879 . . . . 0.0 109.134 -179.063 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' C ' ' N ' ' B' ' 30' ' ' SER . 96.2 mttt -95.1 149.47 21.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.068 179.799 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -48.36 -21.43 0.53 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.477 ' N ' ' C ' ' B' ' 28' ' ' LYS . 40.6 t -70.97 -53.85 13.41 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.586 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -32.65 74.36 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.04 -39.98 87.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.578 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.512 ' HZ3' HG22 ' B' ' 47' ' ' ILE . 42.9 tptt -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.577 -0.702 . . . . 0.0 110.087 178.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 110.471 -178.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.45 HD12 ' CE1' ' B' ' 17' ' ' TYR . 1.3 tt -68.85 -45.12 71.89 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.483 -1.385 . . . . 0.0 109.112 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' B' ' 47' ' ' ILE . 86.7 mt -71.69 -40.89 70.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 112.419 -177.229 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -83.38 -31.06 26.92 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.201 -1.562 . . . . 0.0 111.531 -178.186 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -39.23 8.23 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.454 -0.778 . . . . 0.0 112.98 -177.563 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.16 -22.21 21.83 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.38 -1.45 . . . . 0.0 110.38 -177.782 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 mt -114.6 47.73 1.21 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.407 -0.808 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -65.24 -40.67 94.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 111.021 -179.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -133.94 -13.38 2.49 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.189 -0.944 . . . . 0.0 110.343 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -69.79 -38.07 76.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.024 -1.048 . . . . 0.0 109.843 -179.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.446 ' CG ' ' H ' ' B' ' 45' ' ' GLU . 3.7 tp -130.41 -144.63 0.27 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.356 -0.84 . . . . 0.0 109.646 -179.704 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' B' ' 44' ' ' LEU . 86.4 tt0 -93.18 107.52 19.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.489 -0.757 . . . . 0.0 109.298 -179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.26 133.67 50.14 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.12 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' B' ' 36' ' ' ILE . 64.7 mt -89.36 139.71 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.781 -1.2 . . . . 0.0 108.835 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -110.09 -24.8 10.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.868 -0.52 . . . . 0.0 110.718 -177.746 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.456 -0.778 . . . . 0.0 110.33 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.56 -21.94 64.51 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.572 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.412 ' C ' ' OE1' ' B' ' 51' ' ' GLU . 0.7 OUTLIER -62.96 -39.95 96.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.411 -0.806 . . . . 0.0 110.076 -179.706 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.92 -40.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 36.5 t -61.37 -39.96 84.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.076 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 61.5 t0 -61.59 -39.54 91.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.507 -0.745 . . . . 0.0 109.89 -179.507 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.25 -40.05 89.91 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 122.039 0.923 . . . . 0.0 108.829 -179.261 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.29 -33.25 61.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.605 ' O ' ' N ' ' B' ' 61' ' ' ASP . 82.1 mmm -70.65 -29.03 65.27 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.692 179.527 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.7 -39.61 81.25 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.6 m -75.0 -44.42 48.25 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.116 178.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 41.0 mt -89.23 -14.98 34.72 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.937 -1.102 . . . . 0.0 111.023 -178.157 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' B' ' 57' ' ' MET . 61.7 t0 -81.18 62.6 5.19 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 77.2 mt-10 -60.05 -39.85 87.37 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.612 -178.059 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -80.74 -7.48 59.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.281 179.301 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.68 36.89 91.96 Favored Glycine 0 N--CA 1.498 2.797 0 C-N-CA 119.965 -1.112 . . . . 0.0 110.835 178.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 40.2 p-10 -107.38 2.5 24.44 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.05 -1.265 . . . . 0.0 110.202 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.504 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.47 1.98 89.14 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.469 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 84.2 mt-10 -134.56 136.19 42.83 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.65 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 124.75 45.24 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.858 -1.151 . . . . 0.0 108.678 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 51.5 t0 -63.36 160.3 16.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.246 -0.909 . . . . 0.0 109.231 -179.104 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.552 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 2.8 t80 -48.03 -38.52 17.39 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 121.167 -0.958 . . . . 0.0 108.815 -179.89 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -70.0 -39.82 75.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.594 -0.691 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.1 mt-10 -62.56 -46.22 89.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.744 -1.223 . . . . 0.0 109.619 -179.473 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.39 -25.82 63.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.205 -0.934 . . . . 0.0 108.532 178.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.4 tpt -59.99 -39.22 84.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -69.75 -30.77 68.44 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.118 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' B' ' 80' ' ' VAL . 86.4 t80 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.921 -1.112 . . . . 0.0 109.81 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.471 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -64.02 -37.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 CA-C-O 121.357 0.599 . . . . 0.0 109.645 -179.1 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 0.8 OUTLIER -65.98 -42.59 89.64 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.312 -178.593 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 mtm -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.367 -1.458 . . . . 0.0 111.431 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 76' ' ' PHE . 40.7 t -64.32 -36.18 76.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 121.148 -0.97 . . . . 0.0 109.299 -178.707 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.535 HG23 ' CE2' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.27 -35.74 65.35 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 109.047 178.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.94 -36.44 77.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 109.603 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.96 -40.23 88.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.81 -1.182 . . . . 0.0 108.871 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.91 -40.29 97.13 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.231 -0.918 . . . . 0.0 109.118 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.29 -46.0 24.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 110.021 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' B' ' 88' ' ' PHE . 1.3 m-30 -95.81 65.51 2.57 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -84.56 101.88 12.44 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.221 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -69.99 -18.73 63.35 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.651 -0.655 . . . . 0.0 109.296 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.331 -0.855 . . . . 0.0 . -179.669 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.192 0.52 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 50.2 40.0 21.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 74.0 mt -72.21 144.79 48.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.423 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -104.52 127.85 52.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.391 -0.818 . . . . 0.0 109.795 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 47.7 t -74.44 142.69 44.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.357 -0.839 . . . . 0.0 109.344 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -83.63 127.27 33.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 109.547 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.53 -40.0 89.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.444 -0.785 . . . . 0.0 109.706 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.93 -154.15 0.1 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 -179.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.541 ' H ' ' CD ' ' X' ' 100' ' ' GLN . 1.6 pm0 -106.1 140.36 39.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.496 -1.002 . . . . 0.0 109.574 -179.725 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m -66.62 -26.98 67.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.098 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.551 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 15.0 t -47.35 -26.69 1.36 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 109.124 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -47.93 -24.69 1.1 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 108.85 179.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -60.01 -39.91 87.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.564 -0.71 . . . . 0.0 109.417 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 5.4 p-80 -59.33 -33.92 71.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.775 -1.203 . . . . 0.0 108.76 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.592 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 52.6 tttm -59.78 -33.32 71.54 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.375 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 62.0 tttp -56.07 -38.62 70.91 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -73.55 -24.79 60.16 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.423 0.63 . . . . 0.0 110.472 178.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.73 -24.65 64.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.153 -1.592 . . . . 0.0 109.682 -179.77 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.611 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -48.74 -31.36 6.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.472 -1.392 . . . . 0.0 109.415 -179.66 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.611 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 0.0 OUTLIER -69.62 -40.03 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.608 -1.308 . . . . 0.0 108.138 176.778 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.431 ' N ' ' O ' ' X' ' 109' ' ' MET . 63.4 p -60.17 -33.43 72.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.786 -179.655 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 . 179.631 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.218 0.533 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 50.25 40.01 21.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.155 -0.966 . . . . 0.0 109.25 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.11 144.86 48.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 0.0 109.483 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -104.57 127.88 52.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.4 -0.813 . . . . 0.0 109.805 -179.615 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -74.44 142.69 44.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 0.0 109.29 179.67 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -83.59 127.5 33.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.17 -0.956 . . . . 0.0 109.477 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.84 -40.03 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.415 -0.803 . . . . 0.0 109.676 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.76 -153.94 0.09 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.48 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.543 ' H ' ' CD ' ' Y' ' 100' ' ' GLN . 1.6 pm0 -106.23 140.05 39.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.529 -0.983 . . . . 0.0 109.639 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 53.1 m -66.25 -27.33 67.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.074 -179.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.559 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 15.2 t -47.22 -26.72 1.26 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.153 -0.967 . . . . 0.0 109.144 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 91.3 p -47.7 -24.64 0.98 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 108.776 178.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' Y' ' 104' ' ' ARG . 52.8 mtt-85 -59.98 -39.99 87.61 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.582 -0.699 . . . . 0.0 109.662 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.589 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 5.4 p-80 -59.5 -33.78 71.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.774 -1.204 . . . . 0.0 108.769 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.589 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 52.7 tttm -59.82 -33.15 71.37 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.347 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.43 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 62.2 tttp -56.31 -38.59 71.49 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.09 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 59.1 tp -73.5 -24.86 60.23 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.442 0.639 . . . . 0.0 110.515 178.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.84 -24.65 64.38 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.195 -1.566 . . . . 0.0 109.667 -179.619 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.59 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.4 OUTLIER -48.77 -31.09 6.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.489 -1.382 . . . . 0.0 109.399 -179.594 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.59 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 0.0 OUTLIER -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.546 -1.346 . . . . 0.0 108.218 176.759 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.427 ' N ' ' O ' ' Y' ' 109' ' ' MET . 61.9 p -60.01 -32.79 71.2 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.861 -179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.402 -0.811 . . . . 0.0 . 179.725 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m 56.8 26.85 11.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.894 -179.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.2 mt-10 -77.61 -11.89 59.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.605 -0.684 . . . . 0.0 110.494 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 3' ' ' LEU . 1.6 pt? -47.27 -18.37 0.1 Allowed 'General case' 0 C--O 1.198 -1.606 0 O-C-N 120.788 -1.195 . . . . 0.0 110.289 -179.014 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 2' ' ' GLU . 99.0 mt-10 -64.55 -39.68 94.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.34 -1.475 . . . . 0.0 109.278 -179.626 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -77.33 -36.91 53.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.98 79.54 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.571 -0.706 . . . . 0.0 110.479 -178.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.3 mtt -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.506 -0.746 . . . . 0.0 110.114 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.3 -38.78 83.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 121.71 0.767 . . . . 0.0 109.421 -179.554 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -67.69 -36.95 81.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.688 -0.632 . . . . 0.0 111.621 -178.378 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.49 -40.09 85.88 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -178.394 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -68.17 -39.99 82.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.206 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.56 -50.23 73.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.022 -1.049 . . . . 0.0 111.553 -178.487 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -39.75 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 110.018 -179.272 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 27' ' ' LEU . 78.9 t80 -55.21 -40.44 70.8 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.416 -0.803 . . . . 0.0 109.296 -179.446 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.61 -21.12 48.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.397 -0.814 . . . . 0.0 111.213 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -58.18 -42.44 86.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.776 -1.203 . . . . 0.0 111.255 -177.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 15.4 p90 -114.65 -25.46 8.28 Favored 'General case' 0 N--CA 1.51 2.566 0 O-C-N 121.069 -1.019 . . . . 0.0 111.367 -178.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.472 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.6 m -60.88 -41.35 95.83 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.578 -1.327 . . . . 0.0 110.084 -179.284 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.77 85.92 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.377 -1.392 . . . . 0.0 110.173 -179.33 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -61.06 -42.94 99.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.022 -1.281 . . . . 0.0 109.517 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -79.63 -78.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 0.0 110.075 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.42 -37.72 0.03 OUTLIER Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.181 -1.485 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -81.83 107.58 14.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.694 -1.474 . . . . 0.0 109.475 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -85.98 -26.49 25.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.497 -0.752 . . . . 0.0 109.566 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -100.02 -2.63 33.96 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.236 -0.915 . . . . 0.0 110.604 -178.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -139.93 140.1 36.3 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.033 -1.042 . . . . 0.0 109.011 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 14' ' ' PHE . 9.9 tp -106.27 134.36 49.52 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.093 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 30' ' ' SER . 90.8 mttt -101.17 152.44 20.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 108.637 179.43 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -49.92 -21.92 1.35 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.644 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 28' ' ' LYS . 78.2 p -76.64 -47.16 23.08 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.216 -0.593 . . . . 0.0 109.794 179.695 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' OE2' ' O ' ' A' ' 18' ' ' SER . 49.4 mt-10 -67.93 -36.12 79.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.866 -1.146 . . . . 0.0 108.267 179.055 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.76 -41.25 90.6 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.446 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.07 -39.83 95.88 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.573 -0.704 . . . . 0.0 109.534 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.17 -39.64 87.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 110.48 -178.628 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -69.71 -42.84 73.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.523 -1.361 . . . . 0.0 108.93 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 47' ' ' ILE . 93.7 mt -69.93 -43.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.414 -0.804 . . . . 0.0 111.725 -177.741 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 2.0 m-20 -81.29 -34.75 31.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.466 -1.396 . . . . 0.0 112.537 -178.059 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.475 ' N ' HD22 ' A' ' 38' ' ' ASN . 2.8 m120 -100.18 -36.83 9.17 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.017 -1.052 . . . . 0.0 113.276 -176.817 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.46 -15.3 43.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.475 -1.391 . . . . 0.0 110.668 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 44' ' ' LEU . 30.3 mt -111.91 54.83 0.69 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -57.1 -42.31 80.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.052 -1.03 . . . . 0.0 109.604 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -138.1 -11.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.025 -1.047 . . . . 0.0 110.653 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.06 -21.64 63.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.733 -1.23 . . . . 0.0 110.058 -179.157 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 40' ' ' LEU . 5.0 tp -151.9 167.28 28.84 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.818 -1.176 . . . . 0.0 107.997 178.503 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 13.9 pt-20 -69.43 118.0 11.75 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.791 -1.193 . . . . 0.0 109.083 179.872 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 37' ' ' ASN . 33.3 mt-10 -65.89 154.38 39.41 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 60.7 mt -99.3 139.19 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.254 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -110.17 -24.42 10.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.192 -0.943 . . . . 0.0 109.916 -178.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 51' ' ' GLU . 41.8 mt-10 -113.14 140.61 47.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.51 -0.744 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -19.51 63.87 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.715 179.182 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' A' ' 49' ' ' GLU . 8.7 pt-20 -60.58 -40.42 91.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.152 -0.968 . . . . 0.0 109.662 -179.104 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 57.3 t -60.27 -39.16 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.8 -38.5 82.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.705 -0.622 . . . . 0.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.87 -38.56 89.13 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.499 -0.751 . . . . 0.0 109.84 -179.124 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -67.25 -39.9 86.18 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -66.76 -32.6 58.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 179.044 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 61' ' ' ASP . 72.6 mmm -70.02 -27.37 64.62 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.836 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.79 -39.87 78.53 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -76.31 -42.5 44.95 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.124 178.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -90.11 -14.81 32.93 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.782 -1.199 . . . . 0.0 111.052 -178.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.63 ' N ' ' O ' ' A' ' 57' ' ' MET . 64.0 t0 -81.59 59.78 4.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.63 -39.1 83.2 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.106 -178.047 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 65' ' ' ASP . 58.7 p30 -80.54 -5.99 57.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.925 -1.109 . . . . 0.0 108.833 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 64.27 35.98 92.64 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.86 178.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 41.7 p-10 -107.02 0.62 23.77 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.009 -1.289 . . . . 0.0 110.062 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.48 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.71 6.13 89.56 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 -179.244 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 70.2 mt-10 -139.41 136.52 34.78 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.674 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.18 121.26 41.16 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.728 -1.232 . . . . 0.0 107.769 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 52.4 t0 -59.92 163.69 4.43 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.271 -0.893 . . . . 0.0 108.684 -178.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.4 t80 -48.26 -40.01 23.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.665 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.9 -46.43 89.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.689 -0.632 . . . . 0.0 110.448 178.678 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.64 -40.03 95.72 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 110.967 -177.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -69.83 -32.9 71.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.65 -1.281 . . . . 0.0 109.163 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.485 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 72.9 mmm -60.14 -38.38 82.92 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.331 0.586 . . . . 0.0 110.36 -179.09 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.74 78.12 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.781 -1.199 . . . . 0.0 110.154 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 80' ' ' VAL . 67.5 t80 -60.32 -26.02 66.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.392 -0.817 . . . . 0.0 110.119 179.857 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.432 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.6 t -77.09 -32.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.081 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 -178.776 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 p -67.67 -41.01 84.4 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ptm -73.49 -42.13 62.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 110.948 -179.458 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' PHE . 88.5 t -60.09 -37.68 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.675 -1.266 . . . . 0.0 109.428 -179.491 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' CYS . 99.0 m -59.39 -39.57 83.81 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -48.58 -40.27 26.7 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.11 -34.46 78.47 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 88' ' ' PHE . 9.1 t -59.99 -38.09 81.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.394 -0.816 . . . . 0.0 109.788 179.462 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -60.0 -40.35 88.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.064 -1.022 . . . . 0.0 108.633 -179.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.03 -39.67 86.7 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.29 -24.4 29.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.651 -0.656 . . . . 0.0 110.228 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' CYS . 57.1 t80 -60.16 -38.61 83.71 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -179.576 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.62 94.02 3.14 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.681 0.753 . . . . 0.0 109.428 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.508 ' CD2' ' H ' ' A' ' 90' ' ' HIS . 7.9 p80 -69.99 -24.74 63.36 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.721 -0.612 . . . . 0.0 109.794 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.297 -0.877 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m 57.8 27.07 13.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 0.0 108.839 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.4 mt-10 -77.09 -12.96 60.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.755 -0.59 . . . . 0.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.629 HD23 ' N ' ' B' ' 3' ' ' LEU . 1.6 pt? -46.88 -18.27 0.07 Allowed 'General case' 0 C--O 1.199 -1.58 0 O-C-N 120.771 -1.206 . . . . 0.0 110.418 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 2' ' ' GLU . 98.9 mt-10 -65.04 -39.53 93.47 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.46 -1.4 . . . . 0.0 109.336 -179.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -77.12 -36.82 55.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.36 -46.9 81.4 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.596 -0.69 . . . . 0.0 110.744 -178.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 33.8 mtt -60.85 -40.8 94.24 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.382 -0.824 . . . . 0.0 109.914 -179.349 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.7 -38.59 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-O 121.924 0.868 . . . . 0.0 109.492 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.77 80.18 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.727 -0.608 . . . . 0.0 111.768 -178.227 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.0 -40.09 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.621 -178.386 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.54 -40.15 83.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.302 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.1 -50.12 74.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.04 . . . . 0.0 111.092 -178.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -40.0 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.55 -0.719 . . . . 0.0 110.038 -179.097 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' B' ' 27' ' ' LEU . 73.1 t80 -55.0 -40.07 69.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.262 -179.409 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -78.91 -20.87 48.33 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.304 -0.872 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -58.59 -42.42 88.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.652 -1.28 . . . . 0.0 111.319 -177.482 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 17.2 p90 -114.7 -25.06 8.43 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 121.061 -1.024 . . . . 0.0 111.411 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.477 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 50.6 m -61.37 -41.32 96.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.655 -1.278 . . . . 0.0 110.173 -179.188 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.71 -9.91 86.15 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 119.231 -1.462 . . . . 0.0 109.973 -179.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.16 -42.42 94.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -1.225 . . . . 0.0 109.321 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -80.28 -78.27 0.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.444 -0.785 . . . . 0.0 110.339 -178.7 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.74 -37.24 0.03 OUTLIER Glycine 0 N--CA 1.487 2.087 0 C-N-CA 119.268 -1.444 . . . . 0.0 110.524 -179.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.99 106.65 14.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.662 -1.493 . . . . 0.0 109.602 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -84.87 -26.51 27.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.66 -0.65 . . . . 0.0 109.77 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -100.1 -2.75 33.42 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 -178.894 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -140.22 140.1 35.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.078 -1.014 . . . . 0.0 109.313 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' B' ' 14' ' ' PHE . 10.0 tp -105.85 135.13 47.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' B' ' 30' ' ' SER . 86.2 mttt -102.02 152.4 21.01 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.64 -22.84 1.44 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.421 ' N ' ' C ' ' B' ' 28' ' ' LYS . 81.3 p -76.41 -46.15 28.45 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.938 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.477 ' OE2' ' O ' ' B' ' 18' ' ' SER . 50.1 mt-10 -68.49 -36.88 79.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.016 -1.053 . . . . 0.0 108.3 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.28 -41.75 89.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.264 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.49 -39.03 92.18 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.437 -0.789 . . . . 0.0 109.449 178.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.53 -39.36 87.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.303 -0.873 . . . . 0.0 110.311 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -69.75 -43.49 72.16 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.682 -1.261 . . . . 0.0 109.014 179.848 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.469 HG21 HD12 ' B' ' 47' ' ' ILE . 91.6 mt -69.5 -44.03 80.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 O-C-N 121.437 -0.789 . . . . 0.0 111.741 -177.439 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 2.0 m-20 -80.89 -34.27 33.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.811 -1.181 . . . . 0.0 112.64 -177.866 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.518 ' N ' HD22 ' B' ' 38' ' ' ASN . 2.5 m120 -100.48 -38.34 8.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.077 -1.015 . . . . 0.0 113.151 -176.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -84.19 -15.25 47.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.5 -1.375 . . . . 0.0 110.887 -177.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 44' ' ' LEU . 26.1 mt -111.63 54.69 0.68 Allowed 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.075 -1.016 . . . . 0.0 109.627 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -57.17 -42.22 80.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.034 -1.041 . . . . 0.0 109.501 -179.641 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -137.71 -11.46 1.56 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.986 -1.071 . . . . 0.0 110.58 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.08 -22.39 63.05 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.904 -1.123 . . . . 0.0 109.936 -179.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.42 ' HB3' HD13 ' B' ' 40' ' ' LEU . 4.9 tp -151.93 166.47 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.998 -1.064 . . . . 0.0 108.32 178.899 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 15.4 pt-20 -68.84 118.4 11.75 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.678 -1.264 . . . . 0.0 109.124 179.779 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 37' ' ' ASN . 33.0 mt-10 -65.96 153.75 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.239 -0.913 . . . . 0.0 109.637 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.512 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 60.8 mt -98.88 138.92 21.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.253 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -110.15 -23.02 11.49 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.142 -0.974 . . . . 0.0 110.151 -178.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 51' ' ' GLU . 41.8 mt-10 -114.68 141.01 48.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.495 -0.753 . . . . 0.0 109.072 179.89 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -19.4 63.78 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.493 -0.883 . . . . 0.0 108.924 179.261 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' OE1' ' B' ' 49' ' ' GLU . 9.1 pt-20 -60.42 -40.55 91.43 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.737 -179.212 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 66.4 t -59.91 -39.86 81.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.606 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.45 -39.14 84.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.7 -0.625 . . . . 0.0 110.181 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -65.11 -38.81 91.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.596 0.712 . . . . 0.0 109.911 -179.171 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.27 -40.11 86.13 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.73 -32.54 58.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.024 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.651 ' O ' ' N ' ' B' ' 61' ' ' ASP . 74.0 mmm -69.97 -27.71 64.94 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.497 -0.881 . . . . 0.0 108.729 179.111 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.53 -39.77 77.32 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 178.176 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.6 m -75.95 -43.46 44.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.816 -0.552 . . . . 0.0 110.761 178.724 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.27 -14.85 34.91 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.055 -1.028 . . . . 0.0 111.202 -177.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -82.06 60.06 4.69 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 179.319 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.54 -39.47 84.05 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.993 -177.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -80.65 -6.71 58.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.804 -1.185 . . . . 0.0 109.015 179.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 64.93 36.62 93.29 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.976 178.812 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.11 1.49 24.22 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.098 -1.237 . . . . 0.0 109.914 179.822 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.13 6.5 89.15 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 68.7 mt-10 -139.73 136.67 34.42 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.769 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.76 121.81 41.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.724 -1.235 . . . . 0.0 108.055 -179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 43.2 t0 -59.63 164.53 3.52 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.172 -0.955 . . . . 0.0 108.797 -179.443 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.4 t80 -49.32 -40.17 34.03 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.82 -46.74 88.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.472 0.653 . . . . 0.0 110.457 178.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.85 -40.8 96.59 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.049 -1.032 . . . . 0.0 110.98 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -69.45 -32.6 71.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.793 -1.192 . . . . 0.0 109.078 179.286 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 75.5 mmm -60.4 -39.37 87.08 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.596 -0.69 . . . . 0.0 110.361 -179.231 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.409 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.0 -35.43 80.56 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.67 -1.269 . . . . 0.0 110.047 -178.845 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.16 -25.43 65.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 -179.655 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -77.57 -33.03 18.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.091 -1.006 . . . . 0.0 109.465 -178.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 10.7 p -66.97 -40.77 87.53 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.805 -178.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.21 -41.64 61.06 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.857 -1.152 . . . . 0.0 111.048 -179.387 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.3 -37.6 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.562 -1.336 . . . . 0.0 109.267 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' ' N ' ' B' ' 84' ' ' CYS . 97.0 m -59.44 -39.87 84.95 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -48.37 -39.69 23.11 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.609 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.06 79.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.211 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' B' ' 88' ' ' PHE . 8.7 t -59.92 -38.48 82.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.431 -0.793 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.99 -39.98 87.57 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.954 -1.091 . . . . 0.0 108.687 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.34 -39.03 85.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -84.77 -24.53 28.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.815 . . . . 0.0 110.017 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 84' ' ' CYS . 55.8 t80 -59.83 -38.86 83.22 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.826 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -76.21 94.52 3.54 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.204 -179.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.499 ' CD2' ' H ' ' B' ' 90' ' ' HIS . 7.8 p80 -70.0 -24.33 63.29 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.821 -0.549 . . . . 0.0 109.668 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.892 . . . . 0.0 . -179.781 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -60.99 -40.1 92.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.637 -0.664 . . . . 0.0 109.429 179.589 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 mp 52.29 40.79 29.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.505 -0.747 . . . . 0.0 109.091 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 51.41 40.04 25.69 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -80.55 161.56 24.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.441 -0.787 . . . . 0.0 109.498 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -86.88 145.72 26.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.318 -0.864 . . . . 0.0 108.925 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.57 -39.9 89.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.135 -0.978 . . . . 0.0 108.919 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.45 -171.4 31.01 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -139.94 176.51 8.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -1.014 . . . . 0.0 109.247 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 69.4 m -54.82 -32.94 61.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.45 -0.781 . . . . 0.0 109.563 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.574 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 14.0 t -46.2 -26.27 0.75 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.997 -1.064 . . . . 0.0 109.399 -179.756 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -49.16 -24.84 1.85 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 108.644 178.517 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.48 -35.91 63.57 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.49 -0.756 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' X' ' 102' ' ' THR . 8.0 p-80 -57.5 -35.8 70.7 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.556 -1.34 . . . . 0.0 108.602 179.683 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.564 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 88.4 tttt -59.59 -34.52 72.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.603 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -55.4 -40.06 70.95 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.781 -1.199 . . . . 0.0 107.909 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.593 HD11 ' HZ1' ' X' ' 111' ' ' LYS . 8.1 tp -73.06 -25.21 60.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.641 -0.662 . . . . 0.0 110.39 179.632 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -57.24 -24.37 54.26 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.512 -1.367 . . . . 0.0 109.382 -179.485 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.7 p90 -41.44 -39.7 1.57 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.389 -0.819 . . . . 0.0 109.586 -179.085 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.593 ' HZ1' HD11 ' X' ' 108' ' ' LEU . 14.6 mtmt -71.46 -43.47 66.58 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.856 -1.153 . . . . 0.0 108.12 176.736 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 0.7 OUTLIER -66.31 -27.2 67.73 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.825 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' X' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.406 0 O-C-N 121.602 -0.686 . . . . 0.0 . 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.425 0.631 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -62.32 -40.12 95.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 109.194 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mp 53.05 40.01 30.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.444 -0.785 . . . . 0.0 109.178 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 51.85 40.07 27.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.158 -0.964 . . . . 0.0 109.816 179.754 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 94.8 p -80.42 161.55 24.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.421 -0.8 . . . . 0.0 109.368 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -87.3 145.84 26.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.198 -0.939 . . . . 0.0 109.081 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.27 -40.13 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.189 -0.944 . . . . 0.0 109.323 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.78 -171.71 31.21 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -139.93 176.06 9.06 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.427 -1.043 . . . . 0.0 109.206 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.4 ' O ' ' C ' ' Y' ' 102' ' ' THR . 61.1 m -54.7 -32.48 59.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.344 -0.847 . . . . 0.0 109.554 179.715 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.555 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 14.1 t -46.17 -26.12 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.959 -1.088 . . . . 0.0 109.731 -179.586 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 62.1 m -49.58 -24.69 2.27 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -53.93 -36.3 62.63 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 7.1 p-80 -57.03 -36.76 70.84 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.681 -1.262 . . . . 0.0 108.743 179.489 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.596 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 88.5 tttt -58.77 -34.67 71.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.534 -0.729 . . . . 0.0 109.063 179.493 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -55.51 -39.82 71.0 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.622 -1.299 . . . . 0.0 108.165 179.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.597 HD11 ' HZ1' ' Y' ' 111' ' ' LYS . 8.9 tp -73.31 -25.6 60.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.675 -0.641 . . . . 0.0 110.331 179.46 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -56.54 -24.44 46.84 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.633 -1.292 . . . . 0.0 109.361 -179.403 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.7 p90 -41.35 -39.03 1.33 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.547 -0.721 . . . . 0.0 109.746 -179.013 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.597 ' HZ1' HD11 ' Y' ' 108' ' ' LEU . 15.1 mtmt -72.13 -44.08 63.7 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.498 ' N ' ' O ' ' Y' ' 109' ' ' MET . 0.7 OUTLIER -65.28 -27.68 68.8 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.779 -179.085 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' Y' ' 109' ' ' MET . 2.8 mt-10 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.666 -0.647 . . . . 0.0 . -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.244 0.545 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 p 49.99 20.74 0.62 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.245 -0.91 . . . . 0.0 109.679 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -76.49 8.36 3.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 109.311 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 tt -59.97 -36.54 77.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.721 -0.612 . . . . 0.0 111.771 -178.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.01 -39.92 87.49 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.816 -1.177 . . . . 0.0 109.605 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' H ' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -69.54 -33.32 72.62 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.376 -0.828 . . . . 0.0 109.172 -179.062 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.03 79.81 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.767 -179.345 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.9 mtt -64.96 -40.05 94.42 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.15 -0.969 . . . . 0.0 109.205 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.99 -39.91 86.99 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.66 0.743 . . . . 0.0 109.206 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.47 93.6 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.837 -0.539 . . . . 0.0 111.121 -179.043 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 77' ' ' VAL . 90.4 mt -60.08 -39.85 87.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.911 -1.118 . . . . 0.0 108.861 -178.611 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.87 -37.82 79.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.593 -0.692 . . . . 0.0 110.415 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.02 -48.21 82.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.699 -1.251 . . . . 0.0 110.656 -179.059 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -39.95 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.751 -178.791 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.08 -40.01 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.36 -0.838 . . . . 0.0 109.614 -179.316 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.98 -39.61 86.26 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.168 -0.957 . . . . 0.0 111.007 -178.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.888 -1.132 . . . . 0.0 111.353 -178.183 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 47.0 m-85 -89.32 -28.68 19.68 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.695 -1.253 . . . . 0.0 112.404 -178.286 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -63.04 -39.98 96.35 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.792 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.1 -7.22 85.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.54 -43.37 98.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.071 -1.252 . . . . 0.0 110.866 -178.763 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -100.8 -5.75 25.84 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.077 -1.014 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.92 -17.2 58.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.155 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' LYS . 73.0 m-20 -82.91 68.86 9.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.786 -1.42 . . . . 0.0 108.367 179.391 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.808 -0.558 . . . . 0.0 110.877 -179.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -77.34 -19.99 55.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.208 -0.932 . . . . 0.0 111.6 -177.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . 15.0 ptpt -148.23 159.1 44.32 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.561 -1.337 . . . . 0.0 111.307 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -109.83 136.73 48.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 40.2 mtmt -106.86 156.54 18.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.299 -0.875 . . . . 0.0 108.739 179.214 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.578 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 14.8 ttmm -44.21 -27.32 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -0.874 . . . . 0.0 108.753 179.371 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' LYS . 67.3 m -77.36 -48.48 17.21 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.296 0.57 . . . . 0.0 109.817 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 32.3 tt0 -70.03 -29.96 67.14 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.42 -39.94 92.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.567 -0.708 . . . . 0.0 109.531 178.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.126 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 4.2 tp10 -70.81 -37.06 73.24 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 109.614 -178.897 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.711 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.7 tm? -60.43 -50.01 75.28 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.701 -1.249 . . . . 0.0 108.682 179.372 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 36' ' ' ILE . 51.6 mt -74.52 -48.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 -178.282 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' ND2' ' A' ' 38' ' ' ASN . 27.7 t-20 -66.44 -40.45 89.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.151 -0.968 . . . . 0.0 112.984 -176.319 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE2' ' A' ' 34' ' ' GLU . 4.5 m120 -98.07 -34.67 10.69 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.122 -0.986 . . . . 0.0 113.649 -176.659 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.01 -10.86 59.8 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.059 -1.651 . . . . 0.0 109.317 -178.253 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mt -132.11 58.98 1.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.749 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' ND1' ' A' ' 42' ' ' HIS . 54.3 p -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.428 -0.795 . . . . 0.0 110.503 -178.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.534 ' ND1' ' OG ' ' A' ' 41' ' ' SER . 17.5 p-80 -134.88 -16.73 1.95 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.127 -0.983 . . . . 0.0 110.656 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.38 -39.33 94.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.746 -1.221 . . . . 0.0 109.223 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.673 HD23 ' H ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -126.75 157.78 38.23 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.817 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.673 ' H ' HD23 ' A' ' 44' ' ' LEU . 7.7 pt-20 -57.97 116.97 3.84 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.322 -1.486 . . . . 0.0 109.024 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.01 146.96 40.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.514 -0.741 . . . . 0.0 109.217 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.9 mm -82.3 137.46 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.769 -1.207 . . . . 0.0 108.184 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -106.71 -18.61 13.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.416 -0.803 . . . . 0.0 110.048 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 52.6 tp10 -143.13 140.17 30.72 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.079 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.97 -31.05 69.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.922 . . . . 0.0 110.364 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 18.1 pt-20 -51.69 -34.47 38.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.007 -1.058 . . . . 0.0 109.738 -178.459 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.54 -38.56 81.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 108.504 178.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.7 -33.37 59.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HA ' ' HZ2' ' A' ' 29' ' ' LYS . 62.8 t0 -66.68 -37.81 85.52 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.788 0.804 . . . . 0.0 109.315 179.685 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.96 -39.98 87.38 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG2' ' NE2' ' X' ' 105' ' ' HIS . 40.4 t -64.82 -31.41 53.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.553 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.578 ' SD ' ' NZ ' ' A' ' 29' ' ' LYS . 2.7 mtt -70.05 -32.85 71.16 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.946 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -39.93 77.6 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.125 -1.609 . . . . 0.0 106.825 179.028 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.4 m -87.87 -40.04 14.31 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 72' ' ' GLU . 18.7 tp -88.45 -17.21 30.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 110.947 -177.11 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.4 t0 -81.08 63.36 5.41 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 75.4 mt-10 -57.71 -40.01 78.56 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 81.9 m-20 -71.18 -19.98 62.34 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.688 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.32 31.22 79.77 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 31.9 p-10 -107.85 5.94 26.94 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.111 -1.229 . . . . 0.0 110.239 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 79.82 10.01 86.15 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.49 -1.844 . . . . 0.0 108.49 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 73.5 mt-10 -146.27 135.59 22.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 136.37 43.38 Favored 'General case' 0 N--CA 1.507 2.422 0 O-C-N 120.648 -1.283 . . . . 0.0 107.705 178.814 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 31.7 t0 -78.9 169.99 17.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.357 -0.839 . . . . 0.0 109.537 -178.914 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 8.5 t80 -49.45 -38.73 30.66 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.269 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.77 -50.51 72.07 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.804 -0.56 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' HD11 ' A' ' 60' ' ' LEU . 41.8 mt-10 -61.31 -40.28 93.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 110.531 -177.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.7 -30.75 69.47 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 108.733 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.513 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -60.08 -39.97 87.91 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 121.572 0.701 . . . . 0.0 109.477 -178.452 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.31 68.51 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 110.19 -179.322 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 80' ' ' VAL . 37.6 t80 -63.81 -24.37 67.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.032 -1.043 . . . . 0.0 108.926 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 10' ' ' LEU . 3.5 t -71.2 -39.66 73.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.82 0.819 . . . . 0.0 109.485 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.523 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -70.07 -43.39 71.26 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.456 -177.616 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -40.46 90.21 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.634 -1.291 . . . . 0.0 110.851 -178.304 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' PHE . 18.8 t -69.97 -33.09 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.604 -1.31 . . . . 0.0 108.85 -179.824 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 0.0 108.684 179.745 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -39.79 86.84 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.66 80.62 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.06 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -59.3 -33.69 71.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.505 -0.747 . . . . 0.0 109.375 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.986 -1.071 . . . . 0.0 108.777 179.5 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -40.08 93.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 178.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.16 -39.98 74.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 109.489 179.496 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.77 64.97 7.51 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 179.739 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -75.0 108.35 7.67 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -59.98 -39.99 87.6 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 . . . . . 0 C--N 1.301 -1.518 0 O-C-N 121.359 -0.838 . . . . 0.0 . 179.158 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.6 p 49.94 20.84 0.62 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -76.4 8.23 3.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.452 -0.78 . . . . 0.0 109.296 179.643 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.93 -36.39 76.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.573 -0.705 . . . . 0.0 111.81 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.01 -39.97 87.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.735 -1.228 . . . . 0.0 109.56 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.474 ' H ' ' HE3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -69.15 -33.77 73.94 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.424 -0.797 . . . . 0.0 109.171 -179.2 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.01 80.43 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.492 -0.755 . . . . 0.0 110.789 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.0 mtt -65.16 -39.98 93.71 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.108 -0.995 . . . . 0.0 109.213 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.87 -39.94 86.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.708 0.766 . . . . 0.0 109.173 -179.698 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.31 93.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.825 -0.547 . . . . 0.0 111.225 -178.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.651 HD22 HG11 ' B' ' 77' ' ' VAL . 90.1 mt -60.03 -40.01 87.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.827 -1.17 . . . . 0.0 108.774 -178.66 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.77 -37.83 79.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.582 -0.699 . . . . 0.0 110.523 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -48.27 82.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.744 -1.223 . . . . 0.0 110.687 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -40.04 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.89 -40.05 83.28 Favored 'General case' 0 C--O 1.201 -1.481 0 O-C-N 121.299 -0.875 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -59.97 -39.63 86.3 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.233 -0.917 . . . . 0.0 110.996 -178.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.905 -1.122 . . . . 0.0 111.394 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.456 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 47.9 m-85 -89.35 -28.65 19.67 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.698 -1.251 . . . . 0.0 112.46 -178.264 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -63.05 -40.0 96.41 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -178.531 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.12 -7.22 85.56 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.09 -1.241 . . . . 0.0 110.881 -178.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -100.62 -6.15 25.64 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.088 -1.007 . . . . 0.0 109.761 -179.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.11 -17.07 58.57 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 179.218 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.0 m-20 -82.96 69.12 9.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.742 -1.446 . . . . 0.0 108.395 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -60.07 -39.99 87.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.845 -0.534 . . . . 0.0 110.908 -178.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.52 -20.1 54.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.199 -0.938 . . . . 0.0 111.719 -178.015 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' B' ' 23' ' ' ASP . 15.2 ptpt -147.78 159.37 43.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.575 -1.328 . . . . 0.0 111.21 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.3 mt -110.34 136.92 48.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 30' ' ' SER . 39.4 mtmt -106.88 156.8 18.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.858 . . . . 0.0 108.712 179.268 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.582 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 14.7 ttmm -44.37 -27.23 0.41 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.329 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.414 ' N ' ' C ' ' B' ' 28' ' ' LYS . 69.7 m -77.51 -48.24 17.55 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.842 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 28.9 tt0 -69.96 -30.35 67.7 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.25 -39.96 93.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.629 -0.669 . . . . 0.0 109.558 178.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.05 -40.01 87.93 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.29 -0.881 . . . . 0.0 110.13 -179.67 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 4.3 tp10 -70.65 -37.36 73.71 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 109.607 -178.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.714 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.7 tm? -60.29 -50.02 75.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -74.51 -48.66 34.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 111.597 -178.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.428 ' OD1' ' ND2' ' B' ' 38' ' ' ASN . 27.5 t-20 -66.5 -40.46 89.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.078 -1.013 . . . . 0.0 113.002 -176.328 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.438 ' OD1' ' OE2' ' B' ' 34' ' ' GLU . 4.5 m120 -98.05 -34.67 10.7 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.629 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.98 -11.51 59.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.08 -1.637 . . . . 0.0 109.307 -178.205 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.22 58.87 1.7 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' ND1' ' B' ' 42' ' ' HIS . 56.7 p -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.295 -0.878 . . . . 0.0 110.473 -178.853 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.532 ' ND1' ' OG ' ' B' ' 41' ' ' SER . 17.3 p-80 -134.96 -16.32 1.95 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.163 -0.961 . . . . 0.0 110.619 -179.283 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.54 -39.5 94.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 109.231 -179.721 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 ' H ' ' B' ' 45' ' ' GLU . 0.5 OUTLIER -126.53 158.53 35.92 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.778 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.645 ' H ' HD23 ' B' ' 44' ' ' LEU . 8.7 pt-20 -58.5 117.33 4.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.299 -1.501 . . . . 0.0 109.005 -179.55 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 147.0 40.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.534 -0.729 . . . . 0.0 109.092 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -82.51 137.26 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.135 . . . . 0.0 108.156 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -106.47 -18.92 13.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.44 -0.788 . . . . 0.0 110.089 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 52.6 tp10 -143.05 140.32 30.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.212 -0.93 . . . . 0.0 109.087 -178.728 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.91 -31.29 69.68 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.311 -0.868 . . . . 0.0 110.351 -179.296 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 18.5 pt-20 -51.67 -34.39 38.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.083 -1.011 . . . . 0.0 109.714 -178.392 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.67 -38.45 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.204 -0.935 . . . . 0.0 108.572 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.55 -33.64 61.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.407 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 63.4 t0 -66.61 -37.6 85.21 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.734 0.778 . . . . 0.0 109.343 179.753 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.07 -40.06 86.98 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.753 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.85 -31.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.652 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.582 ' SD ' ' NZ ' ' B' ' 29' ' ' LYS . 2.8 mtt -70.03 -32.84 71.19 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.95 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.51 -40.01 77.77 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 120.04 -1.662 . . . . 0.0 106.826 179.034 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.8 m -87.85 -40.02 14.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.899 -0.501 . . . . 0.0 111.069 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.452 HD11 ' O ' ' B' ' 72' ' ' GLU . 18.3 tp -88.49 -17.17 30.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.1 -1.0 . . . . 0.0 111.029 -177.084 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' B' ' 57' ' ' MET . 47.7 t0 -80.97 63.34 5.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.439 -1.413 . . . . 0.0 107.234 178.799 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 79.5 mt-10 -57.51 -40.05 77.86 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.034 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 79.9 m-20 -71.59 -19.93 62.07 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.62 31.25 79.43 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 31.8 p-10 -107.82 5.8 26.86 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.067 -1.255 . . . . 0.0 110.263 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 79.88 9.96 86.17 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.524 -1.831 . . . . 0.0 108.524 -179.385 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 73.6 mt-10 -146.22 135.5 22.84 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 136.21 43.59 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.686 -1.259 . . . . 0.0 107.658 178.835 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 33.3 t0 -78.97 169.98 17.39 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.387 -0.82 . . . . 0.0 109.503 -178.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 9.5 t80 -49.38 -39.01 30.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.248 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.65 -50.73 71.36 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.804 -0.56 . . . . 0.0 111.186 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.452 ' O ' HD11 ' B' ' 60' ' ' LEU . 41.1 mt-10 -60.7 -40.74 93.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.046 -1.034 . . . . 0.0 110.614 -178.128 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -68.75 -30.48 69.1 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 108.782 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.01 87.76 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.612 0.72 . . . . 0.0 109.425 -178.635 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.27 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.795 -1.19 . . . . 0.0 110.246 -179.209 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.459 ' O ' HG23 ' B' ' 80' ' ' VAL . 37.7 t80 -63.67 -24.55 67.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.033 -1.042 . . . . 0.0 108.964 179.41 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.651 HG11 HD22 ' B' ' 10' ' ' LEU . 3.4 t -71.52 -39.02 69.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 O-C-N 121.33 -0.856 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.513 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -70.22 -43.52 70.47 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.358 -177.782 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.637 -1.289 . . . . 0.0 110.869 -178.385 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 76' ' ' PHE . 19.9 t -70.02 -32.92 53.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.563 -1.336 . . . . 0.0 108.987 -179.822 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -60.01 -40.06 87.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -39.93 87.39 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.16 78.92 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.4 t -59.26 -34.14 71.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.506 -0.747 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -60.05 -41.1 91.6 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.985 -1.072 . . . . 0.0 108.739 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.59 -40.01 93.23 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.42 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.0 109.541 179.441 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.74 65.22 7.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.724 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.86 108.2 7.44 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 . . . . . 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 0.0 . 179.268 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.325 0.583 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.538 ' ND1' ' N ' ' X' ' 94' ' ' LEU . 35.3 t-80 -80.55 159.43 25.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -0.88 . . . . 0.0 109.819 -179.821 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.538 ' N ' ' ND1' ' X' ' 93' ' ' HIS . 87.3 mt -99.05 11.75 38.08 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.31 -0.869 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 50.16 -175.79 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.323 -179.589 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 60.8 p -153.36 169.18 23.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.371 -0.831 . . . . 0.0 109.004 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' X' ' 99' ' ' GLY . 86.4 tttt -59.3 137.7 57.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.04 . . . . 0.0 109.216 -179.62 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.57 -40.03 90.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.774 -179.384 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . 0.405 ' H ' ' HG2' ' X' ' 97' ' ' LYS . . . 81.95 -157.84 37.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 -179.564 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -138.4 170.66 15.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.331 -1.1 . . . . 0.0 109.323 -179.799 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.455 ' O ' ' N ' ' X' ' 103' ' ' SER . 86.8 p -45.96 -24.6 0.43 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . . . . . . . . . 34.7 m -42.65 -24.64 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.698 . . . . 0.0 109.682 179.768 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.455 ' N ' ' O ' ' X' ' 101' ' ' SER . 80.8 p -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.175 -0.953 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -60.03 -40.0 87.83 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.162 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.461 ' NE2' ' CG2' ' A' ' 56' ' ' VAL . 36.4 t-80 -57.57 -37.38 73.08 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.116 -0.99 . . . . 0.0 108.45 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -31.84 70.24 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 17.9 pttt -55.17 -32.16 61.93 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.569 HD23 ' O ' ' X' ' 108' ' ' LEU . 1.2 tt -76.89 -24.89 52.53 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.007 0.908 . . . . 0.0 109.665 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.9 -24.71 64.52 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.155 -1.591 . . . . 0.0 109.216 179.638 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.549 ' CE1' ' HG2' ' X' ' 111' ' ' LYS . 0.9 OUTLIER -48.82 -28.61 3.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.556 -1.34 . . . . 0.0 109.292 -179.107 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.549 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.1 OUTLIER -69.98 -40.0 75.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.721 -1.237 . . . . 0.0 107.769 176.129 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.484 ' N ' ' O ' ' X' ' 109' ' ' MET . 51.5 p -60.05 -32.45 70.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.236 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 0.0 . 179.869 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.541 ' ND1' ' N ' ' Y' ' 94' ' ' LEU . 35.1 t-80 -80.46 159.51 25.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.349 -0.844 . . . . 0.0 109.784 -179.836 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.541 ' N ' ' ND1' ' Y' ' 93' ' ' HIS . 89.4 mt -99.47 12.24 36.93 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.185 -0.947 . . . . 0.0 109.143 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' Y' ' 94' ' ' LEU . 2.5 mppt? 49.87 -175.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 109.388 -179.67 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 62.1 p -153.52 169.15 23.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.86 . . . . 0.0 109.029 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' Y' ' 99' ' ' GLY . 85.4 tttt -59.19 137.62 57.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.043 -1.036 . . . . 0.0 109.18 -179.578 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -60.61 -39.95 90.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.385 -0.822 . . . . 0.0 109.803 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . 0.406 ' H ' ' HG2' ' Y' ' 97' ' ' LYS . . . 81.83 -157.81 38.09 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -179.652 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -138.48 170.77 15.42 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.312 -1.111 . . . . 0.0 109.34 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.451 ' O ' ' N ' ' Y' ' 103' ' ' SER . 82.3 p -46.0 -24.68 0.45 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 32.7 m -42.67 -24.57 0.06 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.623 -0.673 . . . . 0.0 109.637 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.451 ' N ' ' O ' ' Y' ' 101' ' ' SER . 81.8 p -60.0 -38.82 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.171 -0.956 . . . . 0.0 108.921 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.972 . . . . 0.0 108.527 179.116 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -57.47 -37.63 73.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.111 -0.993 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.01 -31.37 69.87 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.092 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 19.4 pttt -55.43 -32.05 62.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.78 -1.2 . . . . 0.0 107.802 179.589 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.578 HD23 ' O ' ' Y' ' 108' ' ' LEU . 1.2 tt -76.89 -24.87 52.54 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.987 0.898 . . . . 0.0 109.65 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' Y' ' 109' ' ' MET . 0.0 OUTLIER -60.0 -24.73 64.71 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.162 -1.586 . . . . 0.0 109.277 179.72 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.542 ' CE1' ' HG2' ' Y' ' 111' ' ' LYS . 0.9 OUTLIER -48.65 -28.76 3.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.587 -1.321 . . . . 0.0 109.342 -179.269 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.1 OUTLIER -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.689 -1.257 . . . . 0.0 107.758 176.167 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.482 ' N ' ' O ' ' Y' ' 109' ' ' MET . 44.9 p -59.98 -31.9 70.33 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.284 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 . 179.802 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m 58.1 21.81 8.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.418 -0.801 . . . . 0.0 109.481 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -77.8 9.84 3.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.84 . . . . 0.0 109.422 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.86 -38.02 80.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 0.0 110.471 -177.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.13 -39.8 87.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.809 -1.182 . . . . 0.0 110.082 -179.205 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HE2' ' H ' ' A' ' 5' ' ' LYS . 1.4 mppt? -67.94 -39.08 83.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 109.898 -179.445 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.05 85.01 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.118 -0.989 . . . . 0.0 110.849 -178.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.0 mtt -62.07 -40.05 94.5 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.127 -0.983 . . . . 0.0 109.356 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.34 -39.27 84.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-O 121.609 0.718 . . . . 0.0 109.098 -179.683 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.84 95.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.724 -0.61 . . . . 0.0 111.624 -178.455 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mp -59.98 -40.01 87.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.657 -1.277 . . . . 0.0 108.347 -179.239 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.32 -39.98 85.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.655 -0.653 . . . . 0.0 110.992 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -66.87 -40.12 87.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.631 -1.293 . . . . 0.0 111.757 -178.205 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.91 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.275 -0.891 . . . . 0.0 110.672 -178.325 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.48 -39.95 68.0 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.205 -0.934 . . . . 0.0 109.067 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -77.41 -22.16 52.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.611 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -55.53 -46.65 77.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.687 -1.258 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 29.1 p90 -114.1 -25.83 8.35 Favored 'General case' 0 N--CA 1.507 2.399 0 C-N-CA 119.696 -0.801 . . . . 0.0 112.168 -177.73 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -67.56 -40.07 84.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.555 -1.34 . . . . 0.0 110.754 -178.487 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.26 59.83 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.424 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 61.7 mtp180 -59.96 -49.97 75.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.548 -1.56 . . . . 0.0 109.108 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -93.04 165.74 12.7 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.716 -179.082 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.5 -18.25 15.0 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.527 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' CG ' ' HZ1' ' A' ' 26' ' ' LYS . 90.5 m-20 -73.1 51.36 0.3 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.003 -1.293 . . . . 0.0 109.746 -179.564 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 24' ' ' LYS . 12.1 ttmm -71.54 -40.07 70.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.728 -1.232 . . . . 0.0 110.194 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.43 -0.2 57.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.233 -0.917 . . . . 0.0 110.354 -178.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HZ1' ' CG ' ' A' ' 23' ' ' ASP . 19.0 pttp -148.13 167.73 24.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.232 -0.917 . . . . 0.0 108.784 -179.748 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 tp -122.48 131.64 53.96 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.189 -0.944 . . . . 0.0 109.062 -179.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 23.0 tptm -106.74 145.94 31.45 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.095 -1.003 . . . . 0.0 109.203 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ttmm -38.09 -24.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.571 0.7 . . . . 0.0 109.215 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' LYS . 15.5 t -74.52 -50.01 19.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.804 . . . . 0.0 109.276 179.373 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 70.2 mt-10 -68.05 -35.05 77.6 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.123 -0.985 . . . . 0.0 108.913 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.167 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE2' HD22 ' A' ' 37' ' ' ASN . 86.4 tttt -60.41 -39.42 87.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.159 -0.963 . . . . 0.0 109.253 179.091 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 86.4 tt0 -62.42 -39.9 94.82 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.901 0.858 . . . . 0.0 109.238 -179.266 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.664 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.9 tm? -60.1 -49.04 79.2 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.878 -1.139 . . . . 0.0 108.605 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.55 -47.94 43.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.5 -0.75 . . . . 0.0 112.208 -177.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 96.2 m-20 -79.52 -46.56 17.16 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.538 -1.351 . . . . 0.0 112.742 -176.39 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.469 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -77.12 -50.53 12.82 Favored 'General case' 0 C--N 1.285 -2.229 0 O-C-N 121.464 -0.773 . . . . 0.0 112.98 -176.497 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' ' CD2' ' A' ' 35' ' ' LEU . 75.8 tt0 -71.43 -39.99 70.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.623 -1.298 . . . . 0.0 110.276 -178.164 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.66 61.84 1.36 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.338 -0.851 . . . . 0.0 108.731 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 109.921 -179.544 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -136.54 -14.96 1.66 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.218 -0.926 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 3.5 t80 -66.97 -35.11 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.026 -1.046 . . . . 0.0 109.74 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -130.02 160.36 33.91 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.69 114.39 4.95 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.816 -1.178 . . . . 0.0 109.975 -178.871 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -59.92 141.99 54.48 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.237 0.541 . . . . 0.0 110.184 179.718 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 49' ' ' GLU . 5.8 mm -76.1 135.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 108.894 179.49 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -2.35 26.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.539 -0.726 . . . . 0.0 110.712 -178.716 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -152.29 132.89 13.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.943 -1.098 . . . . 0.0 108.985 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 3.2 tm0? -60.05 -28.08 67.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 0.0 111.223 -179.128 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 18.1 pt-20 -60.01 -36.84 78.1 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.858 -1.151 . . . . 0.0 109.643 -179.252 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.02 -37.01 70.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.58 -1.266 . . . . 0.0 107.58 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.73 -33.88 64.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -66.45 -36.72 83.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.344 -0.848 . . . . 0.0 109.397 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -68.37 -39.8 81.66 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.2 -38.57 77.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' ASP . 67.2 mmm -70.55 -23.71 62.66 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.271 179.885 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.35 -39.97 84.9 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 119.96 -1.713 . . . . 0.0 106.606 178.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -40.22 15.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.501 -0.75 . . . . 0.0 109.705 178.34 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 76' ' ' PHE . 1.1 mp -75.98 -27.25 57.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.129 -0.982 . . . . 0.0 109.952 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.9 t0 -79.0 58.94 2.54 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.809 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.43 -35.73 72.54 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -179.216 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.28 -11.42 59.91 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.02 29.9 76.21 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 39.4 p-10 -107.88 10.53 28.54 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.184 -1.186 . . . . 0.0 110.284 -179.405 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.07 3.38 64.59 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 93.3 mt-10 -131.66 131.07 42.86 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.425 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.69 124.49 42.03 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.489 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 56.4 t0 -63.25 158.61 19.71 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -178.775 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 3.2 t80 -48.32 -37.5 16.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.127 -0.983 . . . . 0.0 108.861 -179.683 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -69.21 -39.5 78.56 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.907 -1.12 . . . . 0.0 109.99 179.198 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.17 -42.54 99.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.874 -1.141 . . . . 0.0 110.071 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -66.89 -35.32 79.74 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 108.778 179.409 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.412 ' CG ' ' CE1' ' A' ' 70' ' ' PHE . 77.3 mmm -59.96 -36.42 77.07 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.294 0.569 . . . . 0.0 110.103 -179.076 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.38 -34.83 78.09 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.89 -1.131 . . . . 0.0 110.795 -179.283 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.656 ' HB2' HD11 ' A' ' 60' ' ' LEU . 71.6 t80 -59.96 -39.87 87.11 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.974 -1.079 . . . . 0.0 109.339 -179.727 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.5 t -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.295 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.214 -179.062 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 59.6 p -61.51 -40.03 93.14 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.424 -0.798 . . . . 0.0 110.236 -178.378 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 mtm -74.24 -43.96 54.95 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.88 -178.402 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.504 HG22 ' HZ3' ' X' ' 111' ' ' LYS . 51.0 t -59.96 -37.87 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.85 -1.156 . . . . 0.0 110.206 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.7 m -59.96 -37.75 80.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.05 -40.18 73.13 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.694 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.94 84.21 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.299 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.8 t -59.86 -33.4 71.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.436 -0.79 . . . . 0.0 109.236 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.419 ' ND1' ' C ' ' A' ' 85' ' ' HIS . 14.0 t-80 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.949 -1.094 . . . . 0.0 109.105 -179.581 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.68 -41.24 94.7 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.09 -39.61 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.559 -0.713 . . . . 0.0 109.606 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 53.73 2.0 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -179.656 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.95 114.88 5.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 108.814 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -54.03 -31.67 51.99 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 . . . . . 0 N--CA 1.5 2.03 0 O-C-N 121.545 -0.722 . . . . 0.0 . 179.749 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.309 0.576 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m 57.51 22.71 8.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.475 -0.766 . . . . 0.0 109.43 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -78.04 9.88 3.33 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 109.356 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.87 -38.49 82.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 110.581 -177.597 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.96 -39.91 87.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.813 -1.179 . . . . 0.0 110.049 -179.019 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.466 ' HE2' ' H ' ' B' ' 5' ' ' LYS . 1.2 mppt? -67.53 -39.57 85.06 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.32 -0.863 . . . . 0.0 109.909 -179.547 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.13 86.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.17 -0.956 . . . . 0.0 110.822 -178.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.2 mtt -62.3 -40.04 94.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 109.438 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.34 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.1 96.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.729 -0.607 . . . . 0.0 111.663 -178.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.91 -40.04 87.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.643 -1.286 . . . . 0.0 108.395 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.5 mt -66.19 -40.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.696 -0.627 . . . . 0.0 111.05 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.91 -40.06 87.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.712 -1.242 . . . . 0.0 111.762 -178.252 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -39.62 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.298 -0.876 . . . . 0.0 110.722 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -54.5 -40.06 68.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 0.0 109.055 179.815 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -77.37 -22.18 52.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.941 . . . . 0.0 111.62 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.32 -46.84 76.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.663 -1.273 . . . . 0.0 110.717 -178.413 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' B' ' 17' ' ' TYR . 27.2 p90 -114.07 -25.9 8.33 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.376 -0.827 . . . . 0.0 112.339 -177.695 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -67.52 -39.98 85.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.674 -1.267 . . . . 0.0 110.679 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.41 -8.74 60.01 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.484 -178.328 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.521 ' NH1' ' OE2' ' B' ' 34' ' ' GLU . 60.5 mtp180 -60.07 -49.91 75.78 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.596 -1.532 . . . . 0.0 109.074 179.706 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -92.99 166.02 12.58 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.521 0.677 . . . . 0.0 109.814 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.31 -19.02 15.59 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.625 ' CG ' ' HZ1' ' B' ' 26' ' ' LYS . 91.2 m-20 -72.99 51.31 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.004 -1.292 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -71.5 -40.03 70.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.722 -1.236 . . . . 0.0 110.235 179.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -89.32 -0.06 57.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.264 -0.897 . . . . 0.0 110.278 -178.485 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.625 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 20.3 pttp -148.35 168.11 23.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 108.888 -179.601 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -123.18 131.57 53.73 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 109.141 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.561 ' O ' ' N ' ' B' ' 30' ' ' SER . 22.2 tptm -106.57 146.12 31.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.147 -0.97 . . . . 0.0 109.231 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ttmm -38.2 -24.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.56 0.695 . . . . 0.0 109.196 178.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.561 ' N ' ' O ' ' B' ' 28' ' ' LYS . 14.3 t -74.64 -50.03 19.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.425 -0.797 . . . . 0.0 109.307 179.386 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 70.2 mt-10 -67.86 -35.16 78.06 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.083 -1.011 . . . . 0.0 108.906 179.002 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.03 -42.76 95.1 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.315 -0.866 . . . . 0.0 109.155 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.407 ' HE2' HD22 ' B' ' 37' ' ' ASN . 85.8 tttt -60.47 -39.63 88.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.203 -0.935 . . . . 0.0 109.186 179.023 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.521 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 86.9 tt0 -62.21 -39.82 94.04 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.907 0.86 . . . . 0.0 109.303 -179.209 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.672 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.9 tm? -60.21 -48.78 80.27 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 120.929 -1.107 . . . . 0.0 108.633 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.04 -47.76 40.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 O-C-N 121.452 -0.78 . . . . 0.0 112.134 -177.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.7 m-20 -79.4 -47.04 16.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.606 -1.309 . . . . 0.0 112.737 -176.292 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.481 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.4 OUTLIER -77.17 -50.26 13.36 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 121.514 -0.741 . . . . 0.0 112.932 -176.402 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' B' ' 35' ' ' LEU . 78.3 tt0 -71.68 -40.11 69.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.581 -1.324 . . . . 0.0 110.319 -178.22 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.31 61.88 1.46 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.338 -0.851 . . . . 0.0 108.802 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.1 m -60.01 -39.98 87.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.338 -0.851 . . . . 0.0 110.078 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.69 -14.92 1.62 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 3.4 t80 -67.26 -35.05 78.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 0.0 109.809 -179.364 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tp -129.9 160.07 34.68 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.66 114.73 5.18 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.736 -1.227 . . . . 0.0 110.029 -178.811 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -59.8 142.03 54.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.8 -0.563 . . . . 0.0 110.267 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.596 HG22 ' H ' ' B' ' 49' ' ' GLU . 5.6 mm -76.12 135.81 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.196 -0.94 . . . . 0.0 108.831 179.375 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -2.41 26.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -178.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.596 ' H ' HG22 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -152.52 133.31 14.0 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.973 -1.079 . . . . 0.0 108.993 -179.658 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' B' ' 50' ' ' GLN . 3.0 tm0? -60.12 -28.1 67.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.687 . . . . 0.0 111.277 -179.172 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.455 ' N ' ' OE2' ' B' ' 49' ' ' GLU . 18.3 pt-20 -60.28 -36.7 78.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.908 -1.12 . . . . 0.0 109.797 -179.253 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.02 -37.16 71.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.85 -33.71 63.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -66.5 -36.8 83.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.426 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HD3' ' HD1' ' Y' ' 105' ' ' HIS . 55.3 tttm -68.74 -39.69 80.22 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.491 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -38.51 76.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 177.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 67.5 mmm -70.82 -23.72 62.41 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.29 -39.91 84.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 119.998 -1.689 . . . . 0.0 106.749 178.746 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -40.35 14.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.598 -0.689 . . . . 0.0 109.635 178.435 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' B' ' 76' ' ' PHE . 1.2 mp -75.63 -27.73 58.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.254 -0.903 . . . . 0.0 110.006 -179.523 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 50.3 t0 -78.77 59.15 2.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 178.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -58.95 -35.24 72.82 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -76.43 -11.51 59.9 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.18 29.71 75.74 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.663 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 38.0 p-10 -107.66 10.26 29.04 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.222 -1.164 . . . . 0.0 110.199 -179.409 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.543 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 74.05 3.63 65.25 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 -179.263 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 93.6 mt-10 -131.61 131.05 42.94 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.71 124.82 42.2 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.531 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 54.2 t0 -63.37 158.61 20.07 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.325 -0.859 . . . . 0.0 108.757 -178.8 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 3.2 t80 -48.24 -37.74 16.81 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.169 -0.957 . . . . 0.0 108.77 -179.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -69.14 -39.06 79.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.956 -1.09 . . . . 0.0 110.099 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.85 -42.06 99.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.735 -1.228 . . . . 0.0 110.06 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -67.01 -35.28 79.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.296 -0.877 . . . . 0.0 108.769 179.392 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' B' ' 70' ' ' PHE . 76.3 mmm -60.0 -36.46 77.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.255 0.55 . . . . 0.0 110.194 -179.101 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.448 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -67.49 -34.63 77.54 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.863 -1.148 . . . . 0.0 110.765 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.633 ' HB2' HD11 ' B' ' 60' ' ' LEU . 72.3 t80 -59.91 -39.86 86.84 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.935 -1.103 . . . . 0.0 109.342 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.466 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.6 t -60.1 -39.35 80.18 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.24 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.217 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 54.1 p -61.57 -40.02 93.23 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.233 -178.341 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.4 mtm -74.43 -43.51 55.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.063 -178.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.422 HG22 ' HZ3' ' Y' ' 111' ' ' LYS . 53.0 t -60.05 -38.28 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.983 -1.073 . . . . 0.0 110.048 -178.763 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.2 m -59.85 -37.58 79.65 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -40.18 73.16 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.57 84.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.93 -33.36 71.79 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.469 -0.769 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.436 ' C ' ' ND1' ' B' ' 85' ' ' HIS . 12.2 t-80 -59.94 -40.98 90.82 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.931 -179.61 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.73 -41.25 94.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.0 -1.063 . . . . 0.0 108.179 178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.04 -39.78 75.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 109.514 179.323 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 53.52 2.02 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -65.81 114.9 5.4 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.246 -0.908 . . . . 0.0 108.789 -179.351 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -54.18 -31.6 53.23 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.5 2.038 0 O-C-N 121.583 -0.698 . . . . 0.0 . 179.719 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.195 0.522 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -60.25 -39.99 88.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 88.2 mt -74.29 158.8 33.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.855 . . . . 0.0 109.506 -179.529 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -97.74 159.65 14.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.56 -0.712 . . . . 0.0 109.314 -179.336 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p 60.17 -171.03 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.356 -0.84 . . . . 0.0 108.898 -178.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . 0.651 ' HZ3' ' H ' ' X' ' 100' ' ' GLN . 55.0 tttm -140.67 125.28 17.92 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.707 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.38 -40.25 93.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.79 . . . . 0.0 109.825 -179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.48 80.0 1.15 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.651 ' H ' ' HZ3' ' X' ' 97' ' ' LYS . 22.0 pt20 -140.64 177.34 8.09 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -1.139 . . . . 0.0 109.583 -179.921 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.538 ' O ' ' N ' ' X' ' 103' ' ' SER . 91.0 p -50.13 -28.07 6.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.843 . . . . 0.0 110.188 -179.463 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.43 ' C ' ' O ' ' X' ' 101' ' ' SER . 24.1 m -40.0 -24.3 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.537 -0.727 . . . . 0.0 109.862 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 101' ' ' SER . 64.7 m -58.19 -38.15 76.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.411 -0.805 . . . . 0.0 109.671 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.471 ' HE ' ' N ' ' X' ' 105' ' ' HIS . 0.1 OUTLIER -60.0 -39.9 87.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.917 -1.115 . . . . 0.0 109.224 -179.671 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.471 ' N ' ' HE ' ' X' ' 104' ' ' ARG . 5.0 t-80 -61.26 -38.82 88.06 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.272 179.604 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -59.65 -35.33 74.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.561 -0.712 . . . . 0.0 109.23 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.9 -41.02 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.665 -1.272 . . . . 0.0 108.426 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.5 -30.17 67.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.441 -0.787 . . . . 0.0 109.805 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.511 ' O ' ' N ' ' X' ' 112' ' ' THR . 34.0 mmt -54.36 -24.41 19.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.957 -1.09 . . . . 0.0 109.25 -179.578 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -40.33 -35.86 0.47 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.596 -0.69 . . . . 0.0 109.646 -179.839 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.504 ' HZ3' HG22 ' A' ' 80' ' ' VAL . 17.3 mtmt -79.71 -40.01 29.9 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.006 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.511 ' N ' ' O ' ' X' ' 109' ' ' MET . 3.4 m -65.62 -41.59 92.5 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.519 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.51 2.57 0 C-N-CA 122.909 0.484 . . . . 0.0 . 179.442 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.254 0.549 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -60.16 -39.98 88.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.481 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 84.8 mt -74.54 159.13 32.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -98.18 159.97 14.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.516 -0.74 . . . . 0.0 109.357 -179.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p 60.51 -171.18 0.14 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.322 -0.861 . . . . 0.0 108.753 -179.136 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . 0.65 ' HZ3' ' H ' ' Y' ' 100' ' ' GLN . 55.7 tttm -140.92 125.41 17.72 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.231 -0.918 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -61.37 -40.45 94.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 0.0 109.676 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 108.89 80.54 1.22 Allowed Glycine 0 N--CA 1.502 3.055 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.862 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.65 ' H ' ' HZ3' ' Y' ' 97' ' ' LYS . 21.9 pt20 -140.27 177.6 7.88 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.329 -1.1 . . . . 0.0 109.463 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.527 ' O ' ' N ' ' Y' ' 103' ' ' SER . 91.2 p -50.07 -28.03 6.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.339 -0.851 . . . . 0.0 110.221 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.426 ' C ' ' O ' ' Y' ' 101' ' ' SER . 24.1 m -40.18 -24.33 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.515 -0.741 . . . . 0.0 109.893 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.527 ' N ' ' O ' ' Y' ' 101' ' ' SER . 58.3 m -58.08 -38.26 76.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.45 -0.781 . . . . 0.0 109.556 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.462 ' NH1' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -60.0 -39.7 86.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.806 -1.184 . . . . 0.0 109.329 -179.597 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.461 ' N ' ' HE ' ' Y' ' 104' ' ' ARG . 5.1 t-80 -61.52 -38.2 86.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.222 -0.924 . . . . 0.0 109.272 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.84 -35.5 74.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 0.0 109.13 -179.324 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.92 -40.95 90.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.616 -1.302 . . . . 0.0 108.577 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.35 -30.06 67.99 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.298 -0.876 . . . . 0.0 109.803 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.502 ' O ' ' N ' ' Y' ' 112' ' ' THR . 34.5 mmt -54.42 -24.47 20.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.979 -1.076 . . . . 0.0 109.283 -179.599 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' Y' ' 111' ' ' LYS . 0.3 OUTLIER -40.39 -36.11 0.51 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.595 -0.691 . . . . 0.0 109.556 -179.892 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.458 ' CG ' ' CZ ' ' Y' ' 110' ' ' PHE . 17.4 mtmt -79.53 -40.04 30.52 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.502 ' N ' ' O ' ' Y' ' 109' ' ' MET . 3.6 m -65.72 -40.57 92.36 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.443 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.511 2.604 0 C-N-CA 122.923 0.489 . . . . 0.0 . 179.457 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.36 0.6 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' LEU . 1.2 m 58.48 24.62 12.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.445 -0.784 . . . . 0.0 109.787 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.06 13.01 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -0.815 . . . . 0.0 108.886 179.232 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' SER . 61.0 tp -58.65 -35.13 72.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 0.0 109.775 -178.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.928 -1.108 . . . . 0.0 109.269 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -66.28 -40.01 89.78 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.494 -0.754 . . . . 0.0 110.251 -179.572 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.0 77.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.283 -0.885 . . . . 0.0 111.863 -177.671 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.465 ' SD ' ' CZ ' ' B' ' 43' ' ' PHE . 37.1 mtt -67.24 -38.34 85.04 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.856 -1.152 . . . . 0.0 109.457 -179.069 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.19 -36.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 O-C-N 121.753 -0.592 . . . . 0.0 109.849 -179.617 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.66 77.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.571 -0.706 . . . . 0.0 111.477 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.98 -40.09 87.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.835 -1.165 . . . . 0.0 108.575 -179.087 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.48 -38.42 76.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.33 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 61.2 t0 -60.17 -44.6 94.9 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.915 -1.115 . . . . 0.0 111.04 -179.45 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.06 -39.22 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.076 -1.015 . . . . 0.0 109.097 -179.526 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -52.75 -39.7 62.44 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.661 -1.274 . . . . 0.0 108.919 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.97 -21.42 63.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.417 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -45.36 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.197 -0.939 . . . . 0.0 110.0 -178.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -97.41 -34.58 10.98 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.83 -1.169 . . . . 0.0 111.71 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 2.8 t -60.83 -43.12 98.69 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 120.846 -1.159 . . . . 0.0 110.392 -178.327 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -11.16 82.2 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.01 -43.14 95.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.232 -1.158 . . . . 0.0 109.317 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.49 169.51 8.91 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.662 0.744 . . . . 0.0 110.074 -179.219 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.03 -32.04 62.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 26' ' ' LYS . 10.2 t0 -74.01 68.03 1.33 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.572 -1.546 . . . . 0.0 109.292 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' O ' ' OG ' ' A' ' 18' ' ' SER . 13.6 ttmm -69.97 -40.05 75.6 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.439 -0.788 . . . . 0.0 110.607 -179.762 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -81.07 -13.88 58.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.127 . . . . 0.0 110.879 -178.302 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 9.1 mtpm? -139.28 152.92 47.64 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -179.179 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.15 125.92 54.64 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.127 0.489 . . . . 0.0 110.628 -178.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.3 tttt -93.12 151.55 19.78 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.353 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.5 pttm -43.59 -22.67 0.05 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.848 -1.158 . . . . 0.0 108.75 -179.842 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' LYS . 45.8 t -69.95 -49.3 53.21 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.078 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.75 -33.63 72.71 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.743 -1.223 . . . . 0.0 108.38 179.374 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.98 -39.1 84.54 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.807 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.02 -40.05 87.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.443 -0.786 . . . . 0.0 110.047 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.54 -39.3 74.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.012 -1.055 . . . . 0.0 110.383 -178.667 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.83 -50.66 68.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.761 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.512 HG23 HD12 ' A' ' 40' ' ' LEU . 55.7 mt -73.2 -42.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.614 -0.679 . . . . 0.0 111.331 -177.676 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -69.73 -38.5 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.914 -1.116 . . . . 0.0 111.503 -178.135 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.22 -34.89 10.17 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -79.9 -10.92 59.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.228 -1.545 . . . . 0.0 110.237 -177.291 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 HG23 ' A' ' 36' ' ' ILE . 27.9 mt -117.37 46.62 1.67 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -59.96 -40.03 87.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 0.0 110.443 -178.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -125.95 -6.53 6.7 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.274 -0.891 . . . . 0.0 110.279 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.456 ' CZ ' ' SD ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -61.77 -48.84 78.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 108.62 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.32 -176.56 5.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.0 110.699 -179.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 51.7 tp10 -54.57 98.74 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.58 0.705 . . . . 0.0 109.423 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.61 162.51 12.85 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.544 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.0 139.65 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.133 -0.98 . . . . 0.0 109.833 -179.172 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -113.66 -26.58 8.18 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.501 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -121.17 147.28 45.81 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.757 0.789 . . . . 0.0 110.283 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.02 -21.32 63.21 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.4 pt-20 -60.29 -39.98 88.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 110.656 -179.177 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 60.4 t -60.02 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.73 -38.08 80.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.333 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.028 0.918 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.58 -29.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.026 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -64.83 -35.18 80.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.36 -39.77 73.43 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.27 -1.519 . . . . 0.0 106.916 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 m -79.23 -44.88 20.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.577 -0.702 . . . . 0.0 111.609 179.504 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 17.4 mt -88.7 -18.29 28.18 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.702 -1.248 . . . . 0.0 111.16 -177.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 57' ' ' MET . 30.9 t0 -81.33 61.48 4.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 179.233 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -60.0 -40.0 87.71 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.629 -177.781 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 40.4 p-10 -89.94 -0.78 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.067 -1.02 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.13 39.74 97.44 Favored Glycine 0 N--CA 1.495 2.582 0 C-N-CA 119.52 -1.324 . . . . 0.0 109.813 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 33.8 p-10 -103.22 -0.99 29.65 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -1.135 . . . . 0.0 109.966 -179.552 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 78.52 -1.12 73.29 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.76 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 20.8 pt-20 -140.04 137.37 34.54 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.6 128.55 45.71 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.51 170.12 13.99 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.426 ' CE2' HG23 ' B' ' 82' ' ' THR . 5.9 t80 -48.86 -40.01 27.93 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.568 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.02 -49.39 70.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.753 -0.592 . . . . 0.0 111.048 179.711 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -60.05 -41.45 92.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.972 -1.08 . . . . 0.0 110.656 -178.474 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -70.87 -26.96 63.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.884 -1.135 . . . . 0.0 108.229 178.67 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -59.95 -39.91 87.22 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.94 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.37 -32.24 69.84 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.132 -0.98 . . . . 0.0 110.56 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.95 -40.15 88.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.639 -1.288 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.59 -35.34 74.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.605 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.514 ' O ' ' SD ' ' B' ' 74' ' ' MET . 7.7 t -60.82 -44.86 96.36 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.853 0.835 . . . . 0.0 110.537 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.55 ' C ' ' HZ2' ' X' ' 111' ' ' LYS . 79.5 mtp -69.93 -40.62 75.42 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.694 -0.629 . . . . 0.0 111.59 -177.729 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.97 -32.07 50.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.863 -1.148 . . . . 0.0 109.888 -179.048 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -40.0 87.73 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.871 0.843 . . . . 0.0 109.022 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.433 HG23 ' CE2' ' B' ' 70' ' ' PHE . 2.0 m -58.99 -39.86 83.12 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.889 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.71 75.65 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.04 -34.01 72.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.541 -0.725 . . . . 0.0 109.233 179.442 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.28 -43.72 92.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.947 . . . . 0.0 108.63 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -39.96 95.66 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.882 178.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -67.81 -40.04 83.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.836 . . . . 0.0 110.371 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CE1' ' CE1' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -86.97 44.68 1.19 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.334 -0.854 . . . . 0.0 110.028 -178.708 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -93.42 79.94 4.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.999 -1.063 . . . . 0.0 109.113 179.302 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.47 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 21.0 m80 -82.39 -10.39 59.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.313 -0.867 . . . . 0.0 109.576 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.177 -0.952 . . . . 0.0 . -179.988 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.323 0.582 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.429 ' C ' ' H ' ' B' ' 3' ' ' LEU . 1.3 m 59.17 24.25 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.728 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.01 13.29 0.9 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.382 -0.824 . . . . 0.0 108.885 179.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' B' ' 1' ' ' SER . 62.6 tp -58.88 -35.24 72.66 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.737 -178.576 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 0.0 109.298 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -66.13 -40.03 90.34 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.538 -0.726 . . . . 0.0 110.294 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.94 77.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 111.858 -177.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.456 ' SD ' ' CZ ' ' A' ' 43' ' ' PHE . 37.1 mtt -67.08 -38.52 85.89 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.936 -1.102 . . . . 0.0 109.515 -179.116 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.11 -36.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.776 -0.577 . . . . 0.0 109.89 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.64 77.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 111.535 -177.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -59.99 -40.04 87.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.872 -1.142 . . . . 0.0 108.468 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt -69.38 -38.56 77.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -60.16 -44.36 95.08 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.897 -1.127 . . . . 0.0 110.998 -179.443 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -38.96 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.121 -179.449 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.82 -39.79 62.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.772 -1.205 . . . . 0.0 108.829 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.98 -21.41 63.24 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.039 -1.038 . . . . 0.0 109.39 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -45.58 92.07 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.199 -0.938 . . . . 0.0 110.084 -178.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.34 -34.37 11.08 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.882 -1.136 . . . . 0.0 111.713 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t -60.95 -43.09 99.22 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 110.517 -178.345 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -11.03 82.3 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.03 -43.26 95.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -1.155 . . . . 0.0 109.336 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -113.53 169.2 9.14 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.61 0.719 . . . . 0.0 110.089 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.21 61.89 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 26' ' ' LYS . 10.3 t0 -73.71 68.0 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.574 -1.545 . . . . 0.0 109.282 -179.221 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.461 ' O ' ' OG ' ' B' ' 18' ' ' SER . 12.9 ttmm -69.98 -39.97 75.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.381 -0.825 . . . . 0.0 110.659 -179.818 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -81.01 -14.19 58.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.927 -1.108 . . . . 0.0 110.952 -178.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' B' ' 67' ' ' GLU . 9.0 mtpm? -139.07 152.96 47.96 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.003 -1.061 . . . . 0.0 110.338 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -112.13 125.87 54.58 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 -178.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 30' ' ' SER . 87.7 tttt -92.99 151.39 19.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.319 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.5 pttm -43.64 -22.64 0.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 108.758 -179.691 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.1 t -69.96 -49.12 54.87 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.062 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.77 -33.53 72.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.762 -1.211 . . . . 0.0 108.45 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -39.15 84.87 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.785 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.494 -0.753 . . . . 0.0 110.03 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.63 -38.87 73.93 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.013 -1.054 . . . . 0.0 110.409 -178.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.32 -50.57 67.27 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.785 -1.197 . . . . 0.0 109.686 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.513 HG23 HD12 ' B' ' 40' ' ' LEU . 61.4 mt -73.1 -43.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 O-C-N 121.617 -0.677 . . . . 0.0 111.261 -177.789 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -69.51 -38.77 77.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.817 -1.177 . . . . 0.0 111.504 -178.077 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -99.01 -34.9 10.23 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -79.72 -10.97 59.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.164 -1.585 . . . . 0.0 110.189 -177.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.513 HD12 HG23 ' B' ' 36' ' ' ILE . 29.1 mt -117.42 46.5 1.7 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.463 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -60.05 -39.94 87.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.835 . . . . 0.0 110.438 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -125.66 -6.57 6.87 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.322 -0.861 . . . . 0.0 110.302 -179.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' SD ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -61.8 -48.78 79.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.04 -1.038 . . . . 0.0 108.629 -179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.39 -176.52 5.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.098 -1.001 . . . . 0.0 110.676 -179.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' B' ' 48' ' ' LYS . 51.4 tp10 -54.59 98.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.592 0.71 . . . . 0.0 109.43 -179.612 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.5 162.52 12.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.505 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.01 139.67 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.856 -179.158 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -113.6 -26.64 8.17 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.471 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -121.1 147.13 45.98 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 121.843 0.83 . . . . 0.0 110.358 -179.863 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.05 -21.12 63.2 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.3 pt-20 -60.39 -40.01 89.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.571 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 60.0 t -60.03 -40.08 82.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.68 -38.23 81.07 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -61.78 -39.86 93.18 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.084 0.945 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.449 ' HZ3' ' CE1' ' Y' ' 105' ' ' HIS . 2.8 ttmp? -65.17 -40.04 93.73 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.43 -29.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -64.86 -35.14 80.17 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.151 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.34 -39.58 73.07 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.2 m -79.44 -45.02 20.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.582 -0.699 . . . . 0.0 111.587 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 17.1 mt -88.57 -18.36 28.24 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.735 -1.228 . . . . 0.0 111.167 -177.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' MET . 32.6 t0 -81.37 61.48 4.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.232 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -60.03 -40.02 87.9 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.655 -177.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 40.2 p-10 -89.99 -0.59 57.66 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.085 -1.009 . . . . 0.0 109.432 -179.584 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.06 39.96 97.7 Favored Glycine 0 N--CA 1.493 2.489 0 C-N-CA 119.526 -1.321 . . . . 0.0 109.838 179.205 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 34.1 p-10 -103.52 -1.1 28.91 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.215 -1.168 . . . . 0.0 110.014 -179.509 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 78.39 -0.95 73.23 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.812 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' B' ' 26' ' ' LYS . 20.9 pt-20 -140.19 137.43 34.34 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.437 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.67 128.76 45.77 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.051 -1.031 . . . . 0.0 108.221 -179.907 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -71.58 170.38 13.52 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.558 -0.714 . . . . 0.0 109.361 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CE2' HG23 ' A' ' 82' ' ' THR . 5.7 t80 -49.21 -39.99 31.81 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.157 -0.964 . . . . 0.0 108.519 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -64.8 -49.37 70.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.885 -0.509 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -60.07 -41.78 93.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 110.577 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.85 -26.54 63.32 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -60.0 -40.03 87.83 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.057 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.16 69.62 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.181 -0.95 . . . . 0.0 110.636 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.08 -40.15 88.55 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.663 -1.273 . . . . 0.0 110.253 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.407 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.55 -35.45 74.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.604 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.52 ' O ' ' SD ' ' A' ' 74' ' ' MET . 7.7 t -60.64 -45.08 95.43 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.865 0.84 . . . . 0.0 110.476 -179.42 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.61 ' C ' ' HZ2' ' Y' ' 111' ' ' LYS . 80.1 mtp -69.78 -40.51 76.01 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.614 -0.679 . . . . 0.0 111.696 -177.692 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.0 -32.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.912 -1.117 . . . . 0.0 109.816 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.821 0.819 . . . . 0.0 109.0 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.426 HG23 ' CE2' ' A' ' 70' ' ' PHE . 2.0 m -58.86 -39.96 82.89 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.7 75.45 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.02 -34.19 73.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.554 -0.716 . . . . 0.0 109.204 179.49 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -59.03 -43.87 91.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.102 -0.999 . . . . 0.0 108.579 -179.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.467 -0.893 . . . . 0.0 108.911 178.565 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.89 -39.99 83.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' B' ' 90' ' ' HIS . 0.2 OUTLIER -86.87 44.6 1.18 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.34 -0.85 . . . . 0.0 109.981 -178.686 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.55 80.13 4.32 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.037 -1.039 . . . . 0.0 109.08 179.24 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 20.4 m80 -82.3 -10.52 59.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.376 -0.827 . . . . 0.0 109.581 179.744 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 0.0 . -179.99 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.419 ' C ' HD22 ' X' ' 94' ' ' LEU . 45.4 m80 -60.91 -40.06 91.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.325 -0.859 . . . . 0.0 110.467 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.701 ' N ' HD22 ' X' ' 94' ' ' LEU . 2.8 mm? -98.42 117.79 33.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.972 -1.08 . . . . 0.0 108.501 179.701 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -69.97 -40.02 75.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 -179.573 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -86.18 133.47 33.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.334 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -103.99 119.94 39.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.382 -0.824 . . . . 0.0 109.115 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -130.65 141.85 50.43 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.553 -0.717 . . . . 0.0 109.123 179.772 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.19 -161.53 50.02 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -130.15 148.35 51.98 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.44 -1.035 . . . . 0.0 109.268 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -61.81 -24.76 67.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 109.35 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.586 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 2.7 t -46.61 -27.68 1.22 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 0.0 109.388 -179.599 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -52.11 -33.17 38.58 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.834 -1.166 . . . . 0.0 108.673 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -60.5 -39.94 89.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.394 -0.816 . . . . 0.0 110.166 179.716 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.598 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 2.9 p-80 -59.23 -37.48 77.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.715 -1.241 . . . . 0.0 108.798 -179.208 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.598 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 86.8 tttt -59.95 -30.47 69.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.317 -0.864 . . . . 0.0 109.226 179.73 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -59.9 -40.02 87.36 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.876 -1.14 . . . . 0.0 108.379 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.546 HD11 ' HZ3' ' X' ' 111' ' ' LYS . 23.2 tp -72.36 -26.48 61.92 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.759 0.79 . . . . 0.0 109.079 179.028 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.419 ' O ' ' C ' ' X' ' 110' ' ' PHE . 20.9 mmt -65.06 -24.22 67.4 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.974 -1.079 . . . . 0.0 109.953 179.243 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' X' ' 111' ' ' LYS . 2.8 p90 -39.96 -46.71 2.11 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.361 -0.837 . . . . 0.0 110.64 -177.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' X' ' 110' ' ' PHE . 41.5 pttt -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 109.821 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . 0.402 ' N ' ' O ' ' X' ' 109' ' ' MET . 81.1 p -62.39 -29.03 70.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.083 -1.01 . . . . 0.0 109.138 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.425 -0.797 . . . . 0.0 . 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.433 ' C ' HD22 ' Y' ' 94' ' ' LEU . 46.3 m80 -60.96 -40.02 91.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.455 -179.61 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.693 HD22 ' N ' ' Y' ' 94' ' ' LEU . 2.9 mm? -98.45 117.47 32.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.009 -1.057 . . . . 0.0 108.562 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.422 -0.799 . . . . 0.0 109.704 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 12.9 m -86.04 133.63 33.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.305 -0.872 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -104.29 119.97 40.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.441 -0.787 . . . . 0.0 108.998 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -130.68 141.63 50.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.38 -161.45 50.53 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.274 -1.53 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -130.38 148.39 52.19 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.512 -0.993 . . . . 0.0 109.198 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 81.1 p -61.87 -24.78 67.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 0.0 109.334 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.578 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 2.9 t -46.61 -27.64 1.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.174 -0.954 . . . . 0.0 109.426 -179.603 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t -52.26 -32.95 39.52 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.849 -1.157 . . . . 0.0 108.697 179.389 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.6 -39.98 90.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 110.117 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.593 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 2.9 p-80 -59.12 -37.54 77.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.723 -1.235 . . . . 0.0 108.939 -179.323 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.593 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.99 -30.34 69.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.294 -0.879 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -60.02 -39.94 87.6 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.971 -1.081 . . . . 0.0 108.345 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.41 HD11 ' HZ3' ' Y' ' 111' ' ' LYS . 22.8 tp -72.57 -26.38 61.7 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.679 0.752 . . . . 0.0 108.974 179.044 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -65.0 -24.17 67.43 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.961 -1.087 . . . . 0.0 109.936 179.168 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' Y' ' 111' ' ' LYS . 2.7 p90 -39.98 -46.71 2.12 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.297 -0.877 . . . . 0.0 110.577 -178.043 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.61 ' HZ2' ' C ' ' B' ' 79' ' ' MET . 42.8 pttt -80.0 -29.2 39.4 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 109.761 -179.941 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 82.7 p -60.29 -30.06 69.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.078 -1.014 . . . . 0.0 109.354 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.406 -0.809 . . . . 0.0 . -179.599 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 ptm . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.421 0.629 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t 62.08 19.46 10.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.324 -0.86 . . . . 0.0 109.552 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.73 -7.31 55.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.758 0.79 . . . . 0.0 109.079 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.02 -21.87 1.39 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.757 -0.59 . . . . 0.0 110.098 -178.536 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.7 -38.32 80.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.44 -1.412 . . . . 0.0 108.98 179.543 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -69.33 -36.91 77.41 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.55 88.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.538 -0.726 . . . . 0.0 111.091 -178.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.9 mtt -65.1 -39.96 93.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.025 -1.047 . . . . 0.0 109.16 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.66 -38.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.28 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.76 -0.587 . . . . 0.0 111.295 -178.561 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.616 -1.303 . . . . 0.0 108.222 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.54 -39.12 78.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.754 -0.591 . . . . 0.0 110.356 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 57.9 t0 -59.98 -45.85 91.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.092 -1.005 . . . . 0.0 111.545 -177.913 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -36.53 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.091 -1.006 . . . . 0.0 110.126 -178.54 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.8 -40.01 65.96 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.14 -22.84 57.89 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 111.505 -179.201 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -59.96 -40.04 87.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.937 -1.102 . . . . 0.0 111.404 -177.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.403 ' CE1' HD12 ' A' ' 35' ' ' LEU . 15.6 p90 -119.08 -23.16 6.93 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 121.163 -0.961 . . . . 0.0 111.353 -179.162 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.43 -43.32 77.4 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.645 -1.285 . . . . 0.0 110.138 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.1 -3.54 65.18 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.618 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HG2' HH11 ' A' ' 20' ' ' ARG . 18.8 ttt-85 -59.94 -44.92 94.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -1.082 . . . . 0.0 109.945 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.2 tp10 -114.3 158.89 20.83 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.617 -0.677 . . . . 0.0 109.544 -179.221 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -40.95 -20.01 0.03 OUTLIER Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.429 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m-20 -71.73 46.82 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.934 -1.333 . . . . 0.0 109.116 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' GLY . 76.6 tttt -70.83 -45.3 64.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.935 -1.103 . . . . 0.0 110.342 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -77.62 -20.1 54.43 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.272 -0.893 . . . . 0.0 110.984 -178.281 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' O ' ' O ' ' A' ' 23' ' ' ASP . 26.0 pttm -134.62 159.7 40.42 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.184 -0.948 . . . . 0.0 108.494 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -112.48 130.17 56.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.201 -0.937 . . . . 0.0 108.883 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 30' ' ' SER . 61.7 tttm -103.68 145.45 30.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.117 -0.99 . . . . 0.0 109.189 -179.493 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LYS . 49.1 pttt -40.59 -23.41 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.802 0.811 . . . . 0.0 109.366 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LYS . 47.8 t -71.12 -50.57 32.11 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.977 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.12 -32.94 72.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.012 -1.055 . . . . 0.0 108.856 179.426 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.0 -40.23 88.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.46 -38.51 90.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.641 -0.662 . . . . 0.0 109.404 179.09 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.02 -39.9 93.84 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.0 110.245 -178.378 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -69.67 -44.93 69.49 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 120.342 -1.474 . . . . 0.0 108.941 -179.863 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' N ' HD23 ' A' ' 35' ' ' LEU . 66.0 mt -70.79 -42.61 77.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 120.873 -1.142 . . . . 0.0 111.318 -177.611 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 17.3 t-20 -82.15 -33.43 29.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.518 -1.364 . . . . 0.0 112.032 -177.797 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 -36.13 9.58 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.311 -0.868 . . . . 0.0 113.133 -177.201 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.62 -21.18 22.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.372 -1.455 . . . . 0.0 110.165 -177.724 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -115.4 58.14 0.73 Allowed 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -60.07 -40.5 89.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.383 -0.823 . . . . 0.0 111.09 -178.363 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -135.52 -14.2 1.95 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.055 -1.028 . . . . 0.0 110.562 -179.421 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 t80 -66.95 -38.62 86.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.841 -1.162 . . . . 0.0 109.145 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -127.06 162.17 26.7 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.254 -0.904 . . . . 0.0 108.591 179.734 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 6.4 pt-20 -54.97 109.23 0.49 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.059 -1.026 . . . . 0.0 109.53 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.87 140.23 57.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.088 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.4 mm -86.79 136.67 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.048 -1.033 . . . . 0.0 108.969 -179.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -108.15 -27.4 10.1 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.354 -0.841 . . . . 0.0 109.145 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -120.96 139.99 52.49 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.636 -0.665 . . . . 0.0 109.849 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.36 -21.0 66.23 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.063 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 16.6 pt-20 -58.4 -39.45 79.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 109.473 -178.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 82.5 t -60.04 -36.1 65.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.487 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.53 -35.78 71.84 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.793 -179.401 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.46 -37.37 84.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.3 -39.99 81.86 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.78 -32.89 60.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.609 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 61' ' ' ASP . 76.3 mmm -70.19 -28.64 65.47 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.224 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -58.9 -39.95 83.02 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.057 -1.652 . . . . 0.0 106.961 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 m -83.82 -40.02 19.24 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.762 -0.586 . . . . 0.0 110.826 179.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 76' ' ' PHE . 42.8 tp -86.75 -18.75 30.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.3 -177.553 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.6 t0 -81.09 63.49 5.47 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 177.922 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -57.86 -39.93 78.96 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -69.98 -16.75 63.23 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.19 74.6 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 27.6 p-10 -107.12 8.75 30.34 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.274 -1.133 . . . . 0.0 110.264 -179.533 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 5.65 87.57 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 78.6 mt-10 -139.5 148.79 43.15 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 13.0 p -115.29 131.05 57.05 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.81 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' PHE . 95.6 m-20 -71.63 160.01 33.4 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.356 -0.84 . . . . 0.0 109.41 -178.84 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.5 t80 -47.65 -39.1 16.26 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.042 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.9 -50.99 71.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.62 -0.675 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 60' ' ' LEU . 88.3 mt-10 -61.61 -41.3 97.27 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.084 -1.01 . . . . 0.0 110.409 -178.502 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 47.5 t80 -60.0 -38.54 82.94 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.387 -0.821 . . . . 0.0 110.066 179.274 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.9 mmm -59.92 -37.99 81.06 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.739 -0.601 . . . . 0.0 110.871 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.81 76.27 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.558 -1.257 . . . . 0.0 110.702 -178.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 60' ' ' LEU . 73.4 t80 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.089 -1.007 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -61.11 -39.23 81.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-O 121.507 0.67 . . . . 0.0 109.523 -179.748 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -61.88 -40.93 97.08 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.57 -0.706 . . . . 0.0 110.465 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 mtm -70.41 -43.81 69.23 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.541 -178.788 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.01 -39.86 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.192 -0.943 . . . . 0.0 110.32 -178.4 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.02 -40.01 87.85 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -51.52 -38.53 54.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.751 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.55 87.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.325 -0.86 . . . . 0.0 108.907 178.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 88' ' ' PHE . 25.3 t -59.95 -38.61 82.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 109.801 -179.66 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.35 -39.59 83.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.887 -1.133 . . . . 0.0 109.057 -179.527 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -37.81 80.84 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.175 -0.953 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.86 -23.96 20.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.197 -0.94 . . . . 0.0 109.186 179.766 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -90.27 64.68 6.1 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -80.01 102.94 9.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 108.485 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -60.02 -39.54 86.19 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 55.6 mp0 . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.599 -0.688 . . . . 0.0 . 179.371 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 8.5 ptm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t 61.89 19.36 10.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.556 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.71 -7.33 55.13 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.727 0.775 . . . . 0.0 109.126 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.4 HD23 ' C ' ' B' ' 3' ' ' LEU . 1.3 tt -50.11 -21.69 1.38 Allowed 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.737 -0.602 . . . . 0.0 110.238 -178.562 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.81 -38.62 80.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.453 -1.405 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -69.0 -37.03 78.49 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.24 87.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.518 -0.739 . . . . 0.0 111.145 -178.898 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 32.1 mtt -65.38 -39.97 92.9 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.975 -1.078 . . . . 0.0 109.127 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.0 t -64.61 -38.21 82.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.35 -179.531 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.18 85.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.76 -0.588 . . . . 0.0 111.334 -178.555 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.92 -39.94 87.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.619 -1.301 . . . . 0.0 108.244 -179.311 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.8 -38.98 77.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.672 -0.643 . . . . 0.0 110.35 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.04 -45.91 91.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.106 -0.996 . . . . 0.0 111.456 -177.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -36.49 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.048 -1.033 . . . . 0.0 110.148 -178.576 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.01 -40.0 66.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.153 -0.967 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.11 -22.91 57.92 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 111.534 -179.231 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.863 -1.148 . . . . 0.0 111.421 -177.29 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.413 ' CE1' HD12 ' B' ' 35' ' ' LEU . 15.9 p90 -118.91 -23.12 7.04 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.127 -0.983 . . . . 0.0 111.352 -179.128 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -68.45 -43.63 76.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.687 -1.258 . . . . 0.0 110.146 -179.439 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.75 -3.52 63.68 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.464 ' HG2' HH11 ' B' ' 20' ' ' ARG . 19.1 ttt-85 -60.06 -44.84 94.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -1.081 . . . . 0.0 110.019 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.3 tp10 -114.28 158.87 20.84 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.595 -0.691 . . . . 0.0 109.525 -179.284 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -41.01 -19.99 0.03 OUTLIER Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.435 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' B' ' 21' ' ' GLU . 83.7 m-20 -71.76 47.23 0.13 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.858 -1.377 . . . . 0.0 109.031 -179.815 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' GLY . 76.3 tttt -71.19 -45.11 64.09 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -77.61 -20.37 54.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.207 -0.933 . . . . 0.0 111.025 -178.328 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.0 pttm -134.33 159.79 39.93 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.137 -0.977 . . . . 0.0 108.37 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tp -112.44 130.3 56.03 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.132 -0.98 . . . . 0.0 108.816 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' B' ' 30' ' ' SER . 62.2 tttm -103.83 145.19 30.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.139 -0.976 . . . . 0.0 109.251 -179.518 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 47.5 pttt -40.4 -23.48 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.783 0.801 . . . . 0.0 109.454 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 28' ' ' LYS . 48.5 t -70.88 -50.75 31.74 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.954 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.94 -33.22 73.37 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 108.84 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.95 -40.03 87.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.332 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.54 -38.48 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.572 -0.705 . . . . 0.0 109.29 179.136 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.98 -39.99 94.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.312 -0.868 . . . . 0.0 110.276 -178.323 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -69.51 -45.07 69.74 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 120.452 -1.405 . . . . 0.0 108.935 -179.914 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.405 ' N ' HD23 ' B' ' 35' ' ' LEU . 67.2 mt -70.73 -42.71 77.67 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 120.94 -1.1 . . . . 0.0 111.436 -177.548 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 17.4 t-20 -82.15 -33.39 29.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.541 -1.349 . . . . 0.0 112.012 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.68 -35.99 9.64 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 121.34 -0.85 . . . . 0.0 113.21 -177.245 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -89.77 -21.17 22.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.433 -1.417 . . . . 0.0 110.177 -177.738 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.5 mt -115.39 58.25 0.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -40.48 89.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.398 -0.813 . . . . 0.0 111.092 -178.388 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -135.71 -14.3 1.9 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.036 -1.04 . . . . 0.0 110.54 -179.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' B' ' 43' ' ' PHE . 2.5 t80 -66.87 -38.68 86.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.88 -1.138 . . . . 0.0 109.134 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -126.86 162.42 25.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.177 -0.952 . . . . 0.0 108.581 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' B' ' 45' ' ' GLU . 6.3 pt-20 -55.41 109.33 0.53 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.974 -1.079 . . . . 0.0 109.49 -179.48 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.86 140.3 57.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 109.14 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.438 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 5.3 mm -86.91 136.46 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 108.928 -179.713 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -108.09 -27.04 10.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.388 -0.82 . . . . 0.0 109.168 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.26 139.98 52.67 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.574 -0.704 . . . . 0.0 109.874 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.36 -21.27 66.24 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 16.0 pt-20 -58.2 -39.58 79.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.159 -0.963 . . . . 0.0 109.46 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.409 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 78.2 t -60.02 -36.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.149 -0.97 . . . . 0.0 108.524 179.496 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.2 t -68.62 -35.75 71.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 120.009 -0.677 . . . . 0.0 109.761 -179.345 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.4 -37.36 85.06 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.296 -0.878 . . . . 0.0 109.718 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -68.25 -40.03 82.06 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 t -65.91 -32.78 59.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.561 ' O ' ' N ' ' B' ' 61' ' ' ASP . 76.4 mmm -70.23 -28.69 65.45 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.182 179.39 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -58.69 -40.02 82.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.085 -1.634 . . . . 0.0 107.044 178.644 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.9 m -83.87 -40.0 19.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.826 -0.546 . . . . 0.0 110.873 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' B' ' 76' ' ' PHE . 43.0 tp -86.77 -18.77 30.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.116 -0.99 . . . . 0.0 110.264 -177.506 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' B' ' 57' ' ' MET . 51.7 t0 -80.97 63.57 5.4 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -57.92 -39.99 79.31 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -178.545 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.6 30.17 74.62 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.523 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 27.2 p-10 -107.25 8.82 30.11 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.233 -1.157 . . . . 0.0 110.308 -179.513 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.24 5.67 87.49 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 -179.438 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 78.9 mt-10 -139.37 148.87 43.46 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.599 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 12.7 p -115.4 130.82 57.01 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.808 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 70' ' ' PHE . 95.4 m-20 -71.39 159.98 33.58 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 -178.845 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 69' ' ' ASP . 4.6 t80 -47.71 -38.82 16.0 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.37 -50.56 72.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.644 -0.66 . . . . 0.0 109.967 178.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.431 ' O ' HD11 ' B' ' 60' ' ' LEU . 88.3 mt-10 -61.8 -41.2 97.44 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.111 -0.993 . . . . 0.0 110.405 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 48.4 t80 -60.15 -38.48 83.25 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.344 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.94 -38.34 82.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.763 -0.585 . . . . 0.0 110.755 -177.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.67 76.42 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.493 -1.283 . . . . 0.0 110.752 -178.349 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.454 ' HB2' HD13 ' B' ' 60' ' ' LEU . 73.6 t80 -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.608 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.447 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -61.09 -39.1 81.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 121.471 0.653 . . . . 0.0 109.554 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -61.95 -40.95 97.3 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.614 -0.679 . . . . 0.0 110.403 -178.381 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.3 mtm -70.46 -44.06 68.55 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.04 -39.58 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -0.956 . . . . 0.0 110.288 -178.405 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -39.97 87.61 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -51.65 -38.45 54.86 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.52 87.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 108.949 178.689 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 88' ' ' PHE . 24.8 t -60.06 -38.53 83.1 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.432 -0.793 . . . . 0.0 109.828 -179.643 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.43 -39.5 83.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.914 -1.116 . . . . 0.0 109.117 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -37.81 80.79 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.062 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -90.77 -24.03 20.47 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.175 -0.953 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 84' ' ' CYS . 1.0 OUTLIER -90.28 64.62 6.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.541 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.93 102.81 9.41 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.077 -1.014 . . . . 0.0 108.542 179.858 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -59.92 -39.62 86.07 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' B' ' 91' ' ' GLU . 55.5 mp0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.597 -0.689 . . . . 0.0 . 179.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . 0.664 ' CD2' ' H ' ' X' ' 94' ' ' LEU . 57.3 t60 48.79 -139.3 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.96 . . . . 0.0 109.382 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.664 ' H ' ' CD2' ' X' ' 93' ' ' HIS . 9.6 mp 54.06 49.48 18.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.216 -0.927 . . . . 0.0 109.018 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.54 129.19 47.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t -146.68 103.46 3.65 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.017 -1.052 . . . . 0.0 109.536 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.82 -42.59 97.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -63.07 -39.08 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.245 -0.909 . . . . 0.0 110.161 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.19 117.51 4.69 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.728 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -138.74 150.24 45.92 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.369 -1.077 . . . . 0.0 109.505 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . . . . . . . . . 90.0 p -66.81 -24.89 66.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.794 . . . . 0.0 109.312 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.55 ' O ' ' CD2' ' X' ' 105' ' ' HIS . 6.5 t -46.17 -25.04 0.53 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.639 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . . . . . . . . . 79.7 p -60.03 -28.53 67.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.015 -1.053 . . . . 0.0 109.814 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' X' ' 104' ' ' ARG . 0.0 OUTLIER -59.94 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.259 -0.9 . . . . 0.0 110.376 -179.494 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.63 ' ND1' ' N ' ' X' ' 106' ' ' LYS . 0.8 OUTLIER -58.85 -34.75 71.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.683 -1.261 . . . . 0.0 109.53 -178.976 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.63 ' N ' ' ND1' ' X' ' 105' ' ' HIS . 86.1 tttt -59.96 -37.69 80.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.062 -1.024 . . . . 0.0 108.261 179.005 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.64 -40.01 68.56 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 108.59 -179.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.03 -27.02 60.74 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.46 -0.775 . . . . 0.0 110.296 179.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.421 ' O ' ' C ' ' X' ' 110' ' ' PHE . 15.4 mmt -53.8 -24.51 15.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.664 -1.273 . . . . 0.0 109.385 -179.056 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' X' ' 111' ' ' LYS . 1.8 p90 -42.18 -37.01 1.33 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.323 -0.861 . . . . 0.0 110.173 -178.906 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' X' ' 110' ' ' PHE . 4.7 mtmp? -79.56 -37.56 36.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.849 -1.157 . . . . 0.0 109.479 177.802 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 76.8 p -59.28 -31.14 68.84 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' X' ' 110' ' ' PHE . 73.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.428 -0.795 . . . . 0.0 . 178.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . 0.672 ' CD2' ' H ' ' Y' ' 94' ' ' LEU . 58.0 t60 48.94 -139.2 0.8 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.182 -0.949 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.672 ' H ' ' CD2' ' Y' ' 93' ' ' HIS . 9.6 mp 53.98 49.49 18.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.145 -0.972 . . . . 0.0 109.037 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.52 129.27 47.55 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.341 -0.849 . . . . 0.0 109.023 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 16.8 t -146.7 103.05 3.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.053 -1.029 . . . . 0.0 109.6 179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.35 -42.91 96.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.788 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -63.03 -39.12 93.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.897 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.02 117.28 4.65 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.59 150.56 46.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.408 -1.054 . . . . 0.0 109.544 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 87.7 p -67.05 -24.92 66.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.373 -0.829 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' Y' ' 105' ' ' HIS . 6.8 t -46.15 -25.05 0.53 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.353 -0.842 . . . . 0.0 109.615 -179.716 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 79.5 p -59.99 -28.5 67.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -0.994 . . . . 0.0 109.814 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.499 ' HG2' HH11 ' Y' ' 104' ' ' ARG . 0.0 OUTLIER -59.92 -40.0 87.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.244 -0.91 . . . . 0.0 110.403 -179.485 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.647 ' ND1' ' N ' ' Y' ' 106' ' ' LYS . 0.7 OUTLIER -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.72 -1.238 . . . . 0.0 109.508 -178.961 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.647 ' N ' ' ND1' ' Y' ' 105' ' ' HIS . 86.9 tttt -59.97 -38.2 81.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.34 -40.03 67.65 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.496 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.22 -26.56 60.32 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 179.406 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.411 ' O ' ' C ' ' Y' ' 110' ' ' PHE . 16.1 mmt -54.19 -24.5 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.517 -1.364 . . . . 0.0 109.389 -179.218 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.483 ' CZ ' ' HG3' ' Y' ' 111' ' ' LYS . 1.8 p90 -42.08 -36.98 1.28 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.408 -0.808 . . . . 0.0 110.239 -178.925 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.483 ' HG3' ' CZ ' ' Y' ' 110' ' ' PHE . 4.5 mtmp? -79.69 -37.2 36.3 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.778 -1.201 . . . . 0.0 109.526 177.815 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . 0.403 ' N ' ' O ' ' Y' ' 109' ' ' MET . 82.0 p -59.97 -30.15 68.9 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.776 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' Y' ' 110' ' ' PHE . 73.3 mm-40 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.456 -0.777 . . . . 0.0 . 178.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.466 ' C ' ' N ' ' A' ' 2' ' ' GLU . 78.6 mtm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p 51.21 14.63 0.23 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.214 -0.929 . . . . 0.0 108.858 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 0' ' ' MET . 82.8 tt0 -70.03 -1.47 9.9 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.833 0.825 . . . . 0.0 109.153 179.614 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.0 -36.53 77.39 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.29 -0.881 . . . . 0.0 112.34 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.91 -39.99 87.3 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.451 -1.405 . . . . 0.0 109.61 -178.486 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.345 -0.847 . . . . 0.0 109.763 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.91 83.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 0.0 110.801 -178.75 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 mtt -62.45 -40.01 95.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 109.438 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.03 -38.76 82.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.0 94.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.875 -0.515 . . . . 0.0 111.724 -178.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.07 -40.0 87.99 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.567 -1.333 . . . . 0.0 108.486 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.73 -38.81 79.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.723 -0.61 . . . . 0.0 110.522 -179.298 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.99 -40.01 94.32 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.653 -1.279 . . . . 0.0 110.611 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -38.84 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.286 -0.884 . . . . 0.0 109.149 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.443 ' O ' ' OG ' ' A' ' 18' ' ' SER . 58.9 t80 -51.56 -39.99 58.89 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.918 -1.114 . . . . 0.0 108.577 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -80.03 -22.18 42.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 0.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -52.7 -48.28 66.7 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.898 -1.126 . . . . 0.0 110.402 -178.313 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.779 ' OH ' HD12 ' A' ' 35' ' ' LEU . 20.8 p90 -111.19 -25.64 9.61 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.418 -0.801 . . . . 0.0 111.806 -178.434 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 57.5 m -60.03 -39.97 87.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.519 -1.363 . . . . 0.0 109.953 -178.404 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -2.37 77.85 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 69.2 ttt180 -59.96 -49.71 76.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.18 -1.188 . . . . 0.0 109.772 -179.664 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.01 -76.03 0.42 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.116 -0.99 . . . . 0.0 109.791 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.36 -22.25 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.298 -1.43 . . . . 0.0 110.696 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 26' ' ' LYS . 62.5 m-20 -77.75 70.19 4.09 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.594 -1.533 . . . . 0.0 108.896 -179.842 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.71 -40.54 95.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.917 -179.676 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -90.03 -0.25 57.49 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.979 -1.075 . . . . 0.0 111.368 -178.316 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' ASP . 25.8 ttmt -149.25 154.62 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.666 -1.271 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD21 ' OG ' ' A' ' 18' ' ' SER . 43.7 mt -117.43 137.94 52.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.505 -0.747 . . . . 0.0 109.52 179.853 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.1 ttmt -108.04 147.91 30.49 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.273 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.9 ttmp? -38.76 -25.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.696 0.76 . . . . 0.0 109.186 179.505 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LYS . 79.4 p -78.28 -46.88 19.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.279 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 98.0 mt-10 -69.96 -35.35 74.39 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.27 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.372 -0.83 . . . . 0.0 108.827 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.426 -0.797 . . . . 0.0 109.168 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 63.1 mm-40 -60.94 -36.34 79.08 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.779 HD12 ' OH ' ' A' ' 17' ' ' TYR . 3.1 tt -59.98 -52.89 63.47 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-O 122.557 1.17 . . . . 0.0 108.173 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.62 -45.97 27.99 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.221 -0.924 . . . . 0.0 112.762 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -73.06 -36.33 66.86 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.881 -1.137 . . . . 0.0 112.34 -176.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.463 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -97.05 -37.1 10.28 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.568 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.9 mt-10 -98.14 -20.94 17.01 Favored 'General case' 0 N--CA 1.508 2.431 0 O-C-N 120.411 -1.43 . . . . 0.0 111.796 -177.77 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 39' ' ' GLU . 7.0 mt -129.31 56.52 1.69 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.26 -0.9 . . . . 0.0 109.018 -179.697 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 44' ' ' LEU . 8.1 m -78.89 -67.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 109.917 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -78.49 -39.97 36.73 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.948 . . . . 0.0 110.63 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.2 -35.86 78.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.186 -0.946 . . . . 0.0 110.329 -178.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 34.4 tp -128.34 159.88 33.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.322 -0.861 . . . . 0.0 108.745 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.65 107.6 0.27 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.03 -1.044 . . . . 0.0 109.09 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.63 145.17 50.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.691 . . . . 0.0 109.276 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.592 HG21 HG23 ' A' ' 53' ' ' VAL . 39.5 mm -80.14 141.05 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 0.0 109.061 179.879 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -107.34 -21.93 12.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.533 -0.729 . . . . 0.0 109.288 -179.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.34 154.06 45.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.28 -0.888 . . . . 0.0 110.664 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -68.62 -22.51 64.43 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.1 -39.13 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.14 -0.975 . . . . 0.0 110.409 -179.486 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG21 ' NE2' ' X' ' 105' ' ' HIS . 63.0 t -61.26 -40.04 84.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.017 -1.052 . . . . 0.0 108.652 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.592 HG23 HG21 ' A' ' 47' ' ' ILE . 46.8 t -62.75 -39.87 86.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.447 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 61.4 t0 -60.08 -40.01 88.09 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.616 -0.677 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.92 -31.52 54.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.255 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 61' ' ' ASP . 79.7 mmm -70.08 -27.2 64.43 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.422 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.25 -39.87 80.28 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 178.212 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.6 m -79.63 -40.89 28.19 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.666 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 76' ' ' PHE . 2.8 mp -88.93 -18.04 28.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.13 . . . . 0.0 110.155 -178.268 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.9 t0 -81.66 62.02 5.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.533 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.89 -34.56 73.34 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -79.29 -8.53 59.12 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.57 78.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.87 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.0 p-10 -106.86 2.24 25.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.234 -1.156 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 79.97 4.43 89.6 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.232 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 59.1 mt-10 -136.19 134.71 38.47 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.893 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 3.9 p -104.18 129.79 51.94 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.236 -0.915 . . . . 0.0 109.393 179.888 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -71.02 164.98 24.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.237 -0.915 . . . . 0.0 109.247 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.74 67.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.031 -1.043 . . . . 0.0 108.465 -179.073 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.51 -37.7 77.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.137 -0.977 . . . . 0.0 108.719 178.56 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 46.3 mt-10 -66.81 -40.03 87.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 0.0 109.027 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CE1' HD11 ' A' ' 35' ' ' LEU . 2.4 t80 -62.37 -35.64 79.78 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -36.53 77.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.387 0.613 . . . . 0.0 110.441 -178.007 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.73 76.28 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 118.841 -1.143 . . . . 0.0 110.748 -179.221 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.662 ' HB2' HD11 ' A' ' 60' ' ' LEU . 51.1 t80 -62.59 -39.23 93.06 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.088 -1.008 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.465 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -59.99 -38.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.284 0.564 . . . . 0.0 110.214 -178.511 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 p -65.14 -39.72 93.4 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.31 -0.869 . . . . 0.0 109.867 -178.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.2 mtp -69.84 -43.04 72.75 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.519 -0.738 . . . . 0.0 112.196 -177.872 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.12 -34.53 55.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 120.823 -1.173 . . . . 0.0 109.98 -178.603 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -62.09 -40.05 94.53 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 m -56.09 -39.44 72.13 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.13 86.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.523 -0.736 . . . . 0.0 109.293 178.552 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 88' ' ' PHE . 48.9 t -59.72 -37.86 80.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.495 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.93 -40.04 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.001 -1.062 . . . . 0.0 108.411 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.97 -38.61 83.02 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.185 -0.947 . . . . 0.0 108.895 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -92.21 -24.45 19.03 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.268 -0.895 . . . . 0.0 111.017 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 4.2 t80 -94.4 23.38 5.24 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 109.168 -179.246 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -87.84 -95.75 0.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.237 -0.914 . . . . 0.0 108.834 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -83.16 -10.33 58.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.095 -1.003 . . . . 0.0 108.42 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.487 1.407 0 O-C-N 121.663 -0.648 . . . . 0.0 . -179.656 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.447 ' C ' ' N ' ' B' ' 2' ' ' GLU . 77.9 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.9 p 51.33 14.68 0.25 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.264 -0.897 . . . . 0.0 108.854 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' B' ' 0' ' ' MET . 81.7 tt0 -69.95 -1.63 10.21 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.838 0.828 . . . . 0.0 109.123 179.542 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.96 -36.54 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 112.312 -177.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.431 -1.418 . . . . 0.0 109.565 -178.537 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -64.36 -39.96 94.92 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.259 -0.901 . . . . 0.0 109.808 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -39.91 82.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 110.785 -178.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.8 mtt -62.2 -39.97 94.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.037 -1.039 . . . . 0.0 109.477 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.09 -38.86 82.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.769 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.05 94.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.83 -0.544 . . . . 0.0 111.708 -178.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.04 -40.06 88.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.666 -1.271 . . . . 0.0 108.474 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -68.91 -38.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.786 -0.571 . . . . 0.0 110.536 -179.247 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.29 -40.03 93.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.621 -1.3 . . . . 0.0 110.59 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -38.74 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.279 -0.888 . . . . 0.0 109.128 -179.431 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -51.55 -39.97 58.81 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.003 -1.061 . . . . 0.0 108.615 179.284 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -80.01 -22.28 42.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -52.66 -48.24 66.61 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.85 -1.156 . . . . 0.0 110.5 -178.371 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.767 ' OH ' HD12 ' B' ' 35' ' ' LEU . 20.7 p90 -111.19 -25.65 9.6 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.401 -0.812 . . . . 0.0 111.822 -178.511 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.443 ' OG ' HD21 ' B' ' 27' ' ' LEU . 56.4 m -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.487 -1.383 . . . . 0.0 109.971 -178.492 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.04 -2.33 77.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 69.2 ttt180 -59.98 -49.62 76.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -1.153 . . . . 0.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.2 -76.12 0.42 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.155 -0.966 . . . . 0.0 109.766 -179.704 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.09 -22.45 0.03 OUTLIER Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.349 -1.405 . . . . 0.0 110.712 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 26' ' ' LYS . 61.1 m-20 -77.6 70.34 3.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.608 -1.525 . . . . 0.0 108.966 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.99 -40.52 95.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.443 -0.786 . . . . 0.0 110.732 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -90.08 -0.32 57.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.026 -1.046 . . . . 0.0 111.41 -178.29 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' B' ' 23' ' ' ASP . 26.3 ttmt -149.07 154.75 39.72 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.706 -1.246 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.443 HD21 ' OG ' ' B' ' 18' ' ' SER . 42.4 mt -117.53 137.95 52.22 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.566 -0.709 . . . . 0.0 109.519 179.811 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' SER . 33.0 ttmt -108.01 147.82 30.58 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' B' ' 28' ' ' LYS . 2.0 ttmp? -38.67 -25.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.695 0.76 . . . . 0.0 109.216 179.442 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 28' ' ' LYS . 78.7 p -78.3 -47.02 18.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.235 179.482 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mt-10 -69.94 -35.29 74.4 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.165 -0.96 . . . . 0.0 108.486 179.303 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.99 -40.1 88.02 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.684 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.02 -39.95 87.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.25 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.407 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 63.4 mm-40 -61.04 -36.28 79.13 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.526 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.767 HD12 ' OH ' ' B' ' 17' ' ' TYR . 3.1 tt -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 122.604 1.192 . . . . 0.0 108.189 179.406 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.58 -46.03 28.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.146 -0.971 . . . . 0.0 112.764 -177.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.22 -36.18 66.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.868 -1.145 . . . . 0.0 112.421 -176.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.459 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -97.17 -36.87 10.31 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.623 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.3 -21.27 16.74 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.382 -1.449 . . . . 0.0 111.721 -177.769 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.83 56.41 1.67 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 109.014 -179.606 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' O ' ' B' ' 44' ' ' LEU . 7.3 m -78.94 -67.0 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -78.55 -39.99 36.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.639 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.13 -35.97 78.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.205 -0.934 . . . . 0.0 110.272 -178.783 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 41' ' ' SER . 34.3 tp -128.19 159.79 34.1 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.224 -0.923 . . . . 0.0 108.792 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -53.51 107.65 0.27 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.981 -1.075 . . . . 0.0 109.147 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 145.08 50.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.565 -0.709 . . . . 0.0 109.3 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.572 HG21 HG23 ' B' ' 53' ' ' VAL . 41.5 mm -80.07 140.91 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 109.139 179.847 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -107.22 -22.04 12.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.568 -0.708 . . . . 0.0 109.313 -179.002 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -141.36 154.17 45.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.211 -0.931 . . . . 0.0 110.69 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.65 -22.59 64.4 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.045 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -65.0 -39.15 93.03 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.103 -0.998 . . . . 0.0 110.326 -179.468 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.41 HG21 ' NE2' ' Y' ' 105' ' ' HIS . 65.9 t -61.17 -40.0 84.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.999 -1.063 . . . . 0.0 108.659 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.572 HG23 HG21 ' B' ' 47' ' ' ILE . 44.6 t -62.86 -39.96 86.99 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.525 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 54' ' ' ASP . 61.5 t0 -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.619 -0.675 . . . . 0.0 109.557 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.9 -40.23 96.92 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.77 -31.59 54.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.545 ' O ' ' N ' ' B' ' 61' ' ' ASP . 79.2 mmm -70.0 -27.28 64.57 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.489 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.17 -40.01 80.35 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.321 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -79.58 -40.74 28.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.704 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' B' ' 76' ' ' PHE . 2.6 mp -89.0 -18.1 28.05 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.294 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 57' ' ' MET . 58.4 t0 -81.62 61.88 5.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.619 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -59.97 -34.38 73.2 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.519 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.36 -8.45 59.09 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.507 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.81 31.63 78.91 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.3 p-10 -107.07 2.27 24.87 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.265 -1.138 . . . . 0.0 110.431 -179.178 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 79.71 4.69 89.45 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.411 -1.875 . . . . 0.0 108.411 -179.152 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 61.5 mt-10 -136.1 134.46 38.39 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 3.5 p -104.08 129.55 51.74 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.259 -0.9 . . . . 0.0 109.385 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -70.92 164.95 24.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.224 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -29.67 66.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.999 -1.063 . . . . 0.0 108.53 -179.076 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.44 -37.82 77.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 108.674 178.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 46.5 mt-10 -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.062 -1.024 . . . . 0.0 109.129 179.598 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' B' ' 35' ' ' LEU . 2.4 t80 -62.59 -35.51 79.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.334 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -36.24 76.89 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.386 0.612 . . . . 0.0 110.434 -178.079 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -68.7 -34.43 75.65 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.821 -1.174 . . . . 0.0 110.807 -179.265 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.666 ' HB2' HD11 ' B' ' 60' ' ' LEU . 50.5 t80 -62.92 -39.0 93.21 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.123 -0.986 . . . . 0.0 110.214 -179.55 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.419 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -60.05 -38.99 79.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-O 121.264 0.554 . . . . 0.0 110.116 -178.598 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 11.7 p -65.03 -39.89 94.01 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 -178.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 42.4 mtp -69.78 -42.75 73.39 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.73 . . . . 0.0 112.13 -177.752 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.61 -34.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.828 -1.17 . . . . 0.0 109.944 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -40.02 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 m -56.06 -39.44 72.04 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.59 87.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.595 -0.691 . . . . 0.0 109.337 178.518 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' B' ' 88' ' ' PHE . 42.8 t -59.61 -37.64 79.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.479 -0.763 . . . . 0.0 109.517 -179.141 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.984 -1.073 . . . . 0.0 108.439 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.94 -38.68 83.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -92.01 -24.8 19.1 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.299 -0.876 . . . . 0.0 110.969 -179.012 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 4.2 t80 -94.31 23.52 5.09 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.026 -1.046 . . . . 0.0 109.191 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -87.88 -95.7 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -83.37 -10.12 58.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.106 -0.996 . . . . 0.0 108.333 178.837 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.487 1.391 0 O-C-N 121.654 -0.654 . . . . 0.0 . -179.681 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.251 0.548 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -144.19 152.99 41.63 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.25 -0.906 . . . . 0.0 109.213 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 59.6 tp -140.0 130.03 24.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 109.736 -179.795 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -140.52 42.01 1.88 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.075 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . 0.464 ' OG ' ' NE2' ' X' ' 100' ' ' GLN . 8.5 t -142.52 166.42 24.73 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.861 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -52.83 141.87 20.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.131 -0.98 . . . . 0.0 109.976 -179.309 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -83.78 138.39 33.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.452 -0.78 . . . . 0.0 109.413 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.56 51.68 2.84 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.565 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . 0.464 ' NE2' ' OG ' ' X' ' 96' ' ' SER . 96.7 mt-30 -87.28 -174.76 5.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.023 -1.281 . . . . 0.0 109.892 179.592 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.445 ' O ' ' N ' ' X' ' 103' ' ' SER . 62.7 m -49.67 -24.87 2.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.486 -0.759 . . . . 0.0 109.836 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.4 ' C ' ' O ' ' X' ' 101' ' ' SER . 3.0 t -42.22 -25.01 0.06 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.424 -0.798 . . . . 0.0 110.357 -179.192 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.445 ' N ' ' O ' ' X' ' 101' ' ' SER . 32.0 t -60.13 -41.42 92.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.978 -1.076 . . . . 0.0 109.204 179.423 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -63.34 -40.03 96.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.239 -0.913 . . . . 0.0 109.282 179.336 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' X' ' 109' ' ' MET . 5.2 m-70 -59.98 -38.09 81.56 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 108.878 -179.363 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -58.76 -29.53 66.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 40.2 mtmt -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.907 -1.12 . . . . 0.0 108.173 179.37 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.54 HD23 ' O ' ' X' ' 108' ' ' LEU . 1.2 tt -73.75 -27.13 61.02 Favored 'General case' 0 N--CA 1.506 2.326 0 CA-C-O 121.94 0.876 . . . . 0.0 110.054 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' X' ' 109' ' ' MET . 0.0 OUTLIER -59.94 -24.7 64.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.561 -1.337 . . . . 0.0 110.357 -179.42 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.578 ' CE2' ' NZ ' ' X' ' 111' ' ' LYS . 0.5 OUTLIER -51.02 -32.37 21.29 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.4 -1.438 . . . . 0.0 110.004 -178.496 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.578 ' NZ ' ' CE2' ' X' ' 110' ' ' PHE . 1.5 mmpt? -70.01 -40.06 75.47 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.343 -1.473 . . . . 0.0 107.859 177.435 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 68.8 p -60.89 -31.63 71.11 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.672 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.473 -0.767 . . . . 0.0 . 179.788 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -143.95 153.12 41.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.232 -0.917 . . . . 0.0 109.288 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 59.6 tp -139.95 130.02 24.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.29 -0.881 . . . . 0.0 109.769 -179.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -140.59 42.04 1.87 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.115 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . 0.463 ' OG ' ' NE2' ' Y' ' 100' ' ' GLN . 8.5 t -142.65 166.35 24.89 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.762 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -52.84 141.93 20.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.96 -179.265 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -83.92 138.5 33.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.398 -0.814 . . . . 0.0 109.458 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.78 51.6 2.82 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.612 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . 0.463 ' NE2' ' OG ' ' Y' ' 96' ' ' SER . 96.4 mt-30 -87.22 -174.91 5.09 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.026 -1.279 . . . . 0.0 109.86 179.686 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.442 ' O ' ' N ' ' Y' ' 103' ' ' SER . 57.7 m -49.6 -24.95 2.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.459 -0.776 . . . . 0.0 109.919 -179.273 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.413 ' C ' ' O ' ' Y' ' 101' ' ' SER . 3.0 t -42.17 -24.98 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.343 -179.237 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.442 ' N ' ' O ' ' Y' ' 101' ' ' SER . 28.2 t -59.97 -41.6 92.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.053 -1.029 . . . . 0.0 109.145 179.43 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.29 -40.05 96.28 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.989 0.899 . . . . 0.0 109.348 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.521 ' O ' ' SD ' ' Y' ' 109' ' ' MET . 5.2 m-70 -60.0 -38.03 81.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.252 -0.905 . . . . 0.0 108.835 -179.38 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -58.93 -29.5 67.16 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.266 -0.896 . . . . 0.0 109.267 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 39.5 mtmt -59.97 -39.83 87.0 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.913 -1.117 . . . . 0.0 108.226 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.533 HD23 ' O ' ' Y' ' 108' ' ' LEU . 1.2 tt -74.01 -26.98 60.73 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 122.002 0.906 . . . . 0.0 110.037 179.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -60.0 -24.68 64.67 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.476 -1.39 . . . . 0.0 110.346 -179.448 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.615 ' CE2' ' NZ ' ' Y' ' 111' ' ' LYS . 0.5 OUTLIER -51.0 -32.47 21.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.371 -1.456 . . . . 0.0 109.928 -178.542 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.615 ' NZ ' ' CE2' ' Y' ' 110' ' ' PHE . 1.5 mmpt? -69.94 -40.64 75.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.293 -1.504 . . . . 0.0 107.783 177.437 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 65.1 p -59.97 -31.62 70.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.828 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 . -179.986 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t 53.24 23.09 2.97 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 109.104 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 4' ' ' GLU . 11.5 pt-20 -72.73 -7.97 53.12 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.663 0.744 . . . . 0.0 109.068 179.413 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 tp -42.89 -24.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.477 -0.765 . . . . 0.0 110.84 -178.31 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CZ ' ' B' ' 43' ' ' PHE . 51.3 tp10 -67.4 -40.0 85.59 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.821 -1.174 . . . . 0.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -77.18 -38.94 50.63 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.92 -1.112 . . . . 0.0 110.468 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -43.52 81.1 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 111.041 -178.159 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.7 mtt -61.08 -40.12 92.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.927 -1.108 . . . . 0.0 109.541 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.15 -39.1 84.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.87 88.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.873 -0.517 . . . . 0.0 111.43 -178.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.599 -1.313 . . . . 0.0 107.96 -179.405 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.59 -38.63 80.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 121.777 -0.577 . . . . 0.0 110.288 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -64.22 -40.43 96.04 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.913 -1.117 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.8 -39.33 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.222 -0.923 . . . . 0.0 109.35 -178.712 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -59.89 -40.01 87.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.558 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.55 -33.44 74.95 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.58 -0.7 . . . . 0.0 110.714 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.868 -1.145 . . . . 0.0 110.715 -178.008 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.8 m-85 -91.02 -29.29 17.45 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.668 -1.27 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.1 p -60.1 -40.16 88.67 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.884 -1.135 . . . . 0.0 109.789 -179.333 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.35 -4.45 86.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.1 ttt-85 -60.02 -46.34 89.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.061 -1.258 . . . . 0.0 109.198 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ASP . 98.3 mt-10 -115.6 159.33 21.43 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.609 -0.682 . . . . 0.0 109.321 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -15.12 0.22 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.8 m-20 -83.14 68.52 9.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.757 -1.437 . . . . 0.0 109.843 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.17 -39.93 78.45 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.266 -0.896 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.17 -14.55 59.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.996 -1.065 . . . . 0.0 111.605 -177.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' ASP . 20.7 pttp -146.65 165.2 30.28 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.703 -1.248 . . . . 0.0 110.232 -179.079 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 mt -113.15 135.26 54.01 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.681 -0.637 . . . . 0.0 109.577 -179.794 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 56.1 tttm -98.84 145.0 27.42 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.882 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 37.3 pttt -41.06 -25.09 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.001 0.905 . . . . 0.0 109.306 -179.182 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 28' ' ' LYS . 41.1 t -79.95 -47.8 14.42 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LYS . 75.3 tt0 -69.16 -35.42 76.3 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.528 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.97 -39.99 87.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.567 -0.708 . . . . 0.0 109.361 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CD ' ' OE1' ' A' ' 50' ' ' GLN . 58.3 tttm -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.431 -0.793 . . . . 0.0 109.658 -179.485 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.159 -0.963 . . . . 0.0 108.817 -179.2 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.706 HD23 ' C ' ' A' ' 35' ' ' LEU . 7.1 tt -61.75 -48.96 78.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.06 -1.025 . . . . 0.0 109.177 178.679 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.54 -45.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.452 -0.78 . . . . 0.0 112.22 -177.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -69.53 -40.03 77.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.8 -1.187 . . . . 0.0 112.427 -176.783 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.68 12.92 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.519 -0.738 . . . . 0.0 112.967 -176.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 16.4 tt0 -81.57 -9.65 59.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.201 -1.562 . . . . 0.0 108.87 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 mt -133.74 57.05 1.82 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.753 -0.592 . . . . 0.0 109.487 -179.401 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -60.02 -40.53 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.678 -178.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -133.14 -18.15 2.32 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.216 -0.928 . . . . 0.0 109.961 -179.756 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' OE1' ' B' ' 4' ' ' GLU . 2.6 t80 -62.08 -40.0 94.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.5 161.88 33.4 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -55.95 112.08 1.1 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.027 -1.046 . . . . 0.0 110.023 -179.359 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.1 139.98 57.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 108.793 179.218 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.545 HG21 HG23 ' A' ' 53' ' ' VAL . 40.9 mm -69.88 142.0 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.76 -1.212 . . . . 0.0 108.76 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -15.41 14.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.381 -0.824 . . . . 0.0 111.234 -178.442 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 85.9 tt0 -150.0 150.01 31.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.557 -1.339 . . . . 0.0 110.092 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 13.2 mm100 -60.05 -32.97 71.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.603 -0.686 . . . . 0.0 110.934 -179.207 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 20.9 pt-20 -59.98 -37.59 80.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 110.777 -177.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.1 -40.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.845 -1.159 . . . . 0.0 108.447 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.545 HG23 HG21 ' A' ' 47' ' ' ILE . 70.3 t -63.91 -38.87 83.51 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.06 -37.85 88.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.528 -0.733 . . . . 0.0 109.826 -179.381 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.9 -39.94 91.07 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.65 -33.05 60.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.272 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 mmm -69.98 -27.69 64.93 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.98 -39.95 87.45 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 119.824 -1.798 . . . . 0.0 106.38 178.622 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.5 m -81.73 -39.87 23.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.73 -17.54 31.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -177.892 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' MET . 62.2 t0 -81.03 63.93 5.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 178.422 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -59.85 -39.76 86.3 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.491 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -84.95 -1.25 56.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.964 -1.085 . . . . 0.0 109.509 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.6 34.77 90.83 Favored Glycine 0 N--CA 1.497 2.729 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.867 178.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 48.3 p-10 -104.7 1.22 29.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.003 -1.292 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.544 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 76.44 7.79 85.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 -179.398 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 72.4 mt-10 -137.53 138.55 39.76 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 15.8 p -102.29 128.88 48.64 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.063 -1.023 . . . . 0.0 108.953 179.417 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -80.0 169.95 17.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 -178.718 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.06 -39.75 82.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.923 . . . . 0.0 110.202 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 89.4 mt-10 -69.07 -40.03 78.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.525 -1.359 . . . . 0.0 109.562 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' CE2' HG22 ' A' ' 77' ' ' VAL . 56.1 t80 -70.03 -25.01 63.37 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 108.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.03 -39.69 86.75 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.031 0.919 . . . . 0.0 108.64 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.24 76.44 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.008 -179.433 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 60' ' ' LEU . 91.9 t80 -60.06 -39.95 87.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.165 -0.959 . . . . 0.0 110.427 179.734 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -60.03 -37.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 O-C-N 121.346 -0.847 . . . . 0.0 109.738 -178.912 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -40.27 84.77 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.174 -1.011 . . . . 0.0 109.025 -179.766 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 91.7 mtp -60.37 -46.91 88.28 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.561 -0.712 . . . . 0.0 112.206 -179.457 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 76' ' ' PHE . 5.8 t -73.83 -28.39 24.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 120.937 -1.102 . . . . 0.0 110.387 -178.286 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.24 -39.95 88.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 108.572 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -39.92 85.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.54 72.17 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.815 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.03 -37.67 80.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.675 -0.641 . . . . 0.0 109.601 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.092 -1.005 . . . . 0.0 109.209 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -69.57 -29.14 66.63 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.368 179.672 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -86.76 -24.79 24.96 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.684 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.42 66.62 3.94 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -80.8 99.17 8.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -82.4 95.14 7.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 0.0 108.748 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 . -179.612 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.5 ptm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.4 t 53.1 23.25 2.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' GLU . 11.1 pt-20 -72.95 -7.81 52.77 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.702 0.763 . . . . 0.0 108.977 179.371 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.7 tp -42.74 -24.64 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 110.746 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.524 ' OE1' ' CZ ' ' A' ' 43' ' ' PHE . 51.6 tp10 -67.29 -39.93 86.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.789 -1.194 . . . . 0.0 110.347 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -77.17 -39.54 48.62 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.907 -1.12 . . . . 0.0 110.354 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.94 83.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 111.036 -178.235 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 28.0 mtt -60.94 -40.03 91.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.843 -1.16 . . . . 0.0 109.635 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.97 -38.99 83.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.828 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.77 88.63 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.797 -0.565 . . . . 0.0 111.409 -178.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.97 -40.0 87.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.593 -1.317 . . . . 0.0 107.908 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.61 -38.53 80.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.722 -0.611 . . . . 0.0 110.273 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.24 -40.35 95.84 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.905 -1.122 . . . . 0.0 111.242 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -39.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.304 -0.872 . . . . 0.0 109.33 -178.761 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.02 -39.99 87.77 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -62.62 -33.45 75.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.575 -0.703 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.928 -1.107 . . . . 0.0 110.739 -177.915 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.435 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 52.3 m-85 -91.13 -29.21 17.41 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.696 -1.253 . . . . 0.0 111.578 -179.147 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -60.06 -40.14 88.43 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.9 -1.125 . . . . 0.0 109.718 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.37 -4.49 87.04 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.06 -1.259 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 23' ' ' ASP . 98.2 mt-10 -115.37 159.55 20.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.742 . . . . 0.0 109.416 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.61 -15.29 0.28 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.252 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.6 m-20 -83.05 68.67 9.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.794 -1.415 . . . . 0.0 109.884 -179.491 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -69.24 -39.93 78.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -78.15 -14.55 59.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.057 -1.027 . . . . 0.0 111.543 -177.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -146.66 165.21 30.25 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.618 -1.301 . . . . 0.0 110.228 -179.122 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -113.02 135.3 53.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.783 -0.573 . . . . 0.0 109.561 -179.78 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' B' ' 30' ' ' SER . 54.9 tttm -98.81 145.76 26.62 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 36.7 pttt -41.87 -25.31 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 122.067 0.936 . . . . 0.0 109.224 -179.028 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 28' ' ' LYS . 47.8 t -79.73 -47.65 14.94 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.464 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 77.7 tt0 -69.36 -35.26 75.67 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.607 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.198 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.456 ' CD ' ' OE1' ' B' ' 50' ' ' GLN . 58.6 tttm -59.9 -40.04 87.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.452 -0.78 . . . . 0.0 109.666 -179.489 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.02 -40.0 87.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.232 -0.918 . . . . 0.0 108.854 -179.221 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.704 HD23 ' C ' ' B' ' 35' ' ' LEU . 7.2 tt -61.79 -48.8 78.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.068 -1.02 . . . . 0.0 109.186 178.67 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.75 -45.38 57.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.452 -0.78 . . . . 0.0 112.122 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -69.57 -39.99 77.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.783 -1.198 . . . . 0.0 112.341 -176.768 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.02 -30.76 12.88 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.468 -0.77 . . . . 0.0 112.97 -176.574 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' B' ' 35' ' ' LEU . 16.4 tt0 -81.48 -9.65 59.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.158 -1.588 . . . . 0.0 108.888 -178.553 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.0 mt -133.79 57.0 1.82 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.282 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.0 p -60.02 -40.77 90.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.936 -1.103 . . . . 0.0 110.557 -179.011 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -132.9 -18.0 2.4 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.169 -0.957 . . . . 0.0 110.055 -179.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.53 ' CZ ' ' OE1' ' A' ' 4' ' ' GLU . 2.5 t80 -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.032 . . . . 0.0 109.415 -179.772 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -133.37 161.78 33.61 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.248 -0.908 . . . . 0.0 108.56 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.96 111.7 1.0 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.213 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.72 139.99 57.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 0.0 108.858 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.53 HG21 HG23 ' B' ' 53' ' ' VAL . 40.6 mm -69.9 141.93 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.731 -1.231 . . . . 0.0 108.841 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -15.81 14.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.446 -0.784 . . . . 0.0 111.297 -178.453 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.437 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 85.8 tt0 -149.96 150.25 31.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.564 -1.335 . . . . 0.0 110.048 -179.551 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.456 ' OE1' ' CD ' ' B' ' 33' ' ' LYS . 13.3 mm100 -60.05 -33.19 71.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.58 -0.7 . . . . 0.0 110.982 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 20.7 pt-20 -60.03 -37.29 79.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.193 -0.942 . . . . 0.0 110.757 -177.87 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.19 -40.02 82.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 120.843 -1.16 . . . . 0.0 108.573 -179.837 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.53 HG23 HG21 ' B' ' 47' ' ' ILE . 66.8 t -64.09 -38.76 83.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.475 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.81 -38.32 90.24 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.561 -0.712 . . . . 0.0 109.871 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -65.71 -40.01 91.8 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.45 -33.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.297 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.609 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.6 mmm -70.02 -27.58 64.79 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.592 -179.939 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 119.814 -1.804 . . . . 0.0 106.398 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.0 m -81.65 -39.98 23.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.907 -0.495 . . . . 0.0 110.632 178.753 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.76 -17.55 31.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.166 -0.959 . . . . 0.0 110.594 -177.658 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 57' ' ' MET . 62.0 t0 -80.96 63.86 5.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 178.371 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.74 -39.99 86.58 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.452 -177.795 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' B' ' 65' ' ' ASP . 47.4 p-10 -84.68 -1.06 55.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.997 -1.065 . . . . 0.0 109.511 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.18 34.74 90.77 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 120.099 -1.048 . . . . 0.0 111.031 178.641 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 48.2 p-10 -104.48 1.17 29.65 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.043 -1.269 . . . . 0.0 109.655 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.539 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 76.48 7.89 85.58 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.408 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 72.6 mt-10 -137.47 138.31 39.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.903 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 15.6 p -102.12 128.74 48.47 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.049 -1.032 . . . . 0.0 108.982 179.386 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -80.03 170.0 17.07 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.473 -0.767 . . . . 0.0 110.43 -178.742 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -54.16 -39.99 67.05 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.796 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.23 -39.37 82.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.288 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 90.7 mt-10 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.524 -1.36 . . . . 0.0 109.518 -179.823 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.421 ' O ' HG23 ' B' ' 77' ' ' VAL . 55.4 t80 -70.0 -25.01 63.4 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.147 -0.971 . . . . 0.0 108.449 179.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -60.01 -39.71 86.72 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.052 0.929 . . . . 0.0 108.656 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.33 76.82 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.042 -1.036 . . . . 0.0 110.151 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HB2' HD11 ' B' ' 60' ' ' LEU . 91.5 t80 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.092 -1.005 . . . . 0.0 110.492 179.75 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.46 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -59.97 -37.68 73.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.452 -0.78 . . . . 0.0 109.754 -178.881 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.07 84.2 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.033 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 91.9 mtp -60.28 -47.1 87.47 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.595 -0.691 . . . . 0.0 112.241 -179.487 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' B' ' 76' ' ' PHE . 7.4 t -73.69 -28.72 25.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 120.958 -1.089 . . . . 0.0 110.36 -178.342 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.122 -0.986 . . . . 0.0 108.564 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -40.05 85.93 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.758 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.57 72.11 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.02 -37.82 80.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.658 -0.651 . . . . 0.0 109.673 179.496 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -60.04 -39.93 87.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.232 -179.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.51 -29.36 66.97 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.272 -0.893 . . . . 0.0 109.395 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -86.58 -24.83 25.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 108.56 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.35 66.47 3.96 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.367 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -80.42 98.83 7.68 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.173 -0.954 . . . . 0.0 109.199 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -82.34 95.31 7.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.234 -0.916 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.341 -0.849 . . . . 0.0 . -179.538 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -100.04 121.27 41.11 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 109.378 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.15 129.98 34.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.491 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -60.65 -39.98 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.913 . . . . 0.0 109.351 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 7.3 t 59.86 40.05 19.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 109.387 -179.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -79.1 130.07 35.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.396 -0.815 . . . . 0.0 109.163 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.09 146.4 24.32 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.571 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.29 34.5 5.83 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -75.49 147.96 39.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -1.164 . . . . 0.0 109.722 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.455 ' O ' ' N ' ' X' ' 103' ' ' SER . 24.0 m -62.12 -25.37 67.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.227 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.402 ' C ' ' O ' ' X' ' 101' ' ' SER . 6.8 t -43.36 -24.52 0.1 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.725 . . . . 0.0 109.095 179.664 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.455 ' N ' ' O ' ' X' ' 101' ' ' SER . 47.4 t -56.91 -39.15 73.91 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.71 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.843 -1.161 . . . . 0.0 108.842 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.587 ' CE1' ' SD ' ' X' ' 109' ' ' MET . 36.1 t-80 -60.09 -37.83 81.12 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.019 -1.051 . . . . 0.0 108.398 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -57.4 -32.28 66.69 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 31.2 mtmm -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.666 -1.271 . . . . 0.0 108.818 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . 0.63 HD23 ' O ' ' X' ' 108' ' ' LEU . 1.4 tt -69.97 -29.29 66.36 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.148 -0.97 . . . . 0.0 109.309 179.664 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -61.71 -24.62 66.9 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.545 -1.347 . . . . 0.0 109.734 179.595 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' X' ' 111' ' ' LYS . 0.2 OUTLIER -50.84 -26.13 5.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.585 -1.322 . . . . 0.0 108.263 -179.781 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.566 ' N ' ' CD1' ' X' ' 110' ' ' PHE . 3.4 tppt? -76.77 -40.05 49.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.707 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 47.8 p -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.632 179.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 0.0 . 179.528 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -99.99 121.28 41.11 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.36 -0.838 . . . . 0.0 109.444 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . . . . . . . . . 64.4 mt -81.35 130.31 34.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.0 109.499 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -60.68 -39.93 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.438 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 6.4 t 60.06 40.06 19.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -0.792 . . . . 0.0 109.412 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -79.49 129.94 34.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.338 -0.851 . . . . 0.0 109.163 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -94.93 146.21 24.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 -179.545 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.37 34.45 5.83 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 179.87 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -75.51 147.94 39.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -1.133 . . . . 0.0 109.672 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' Y' ' 103' ' ' SER . 25.3 m -62.19 -25.41 67.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . . . . . . . . . 7.1 t -43.39 -24.5 0.1 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.676 0.751 . . . . 0.0 109.162 179.661 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . 0.454 ' N ' ' O ' ' Y' ' 101' ' ' SER . 47.6 t -56.73 -39.35 73.78 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.589 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.816 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' Y' ' 109' ' ' MET . 37.7 t-80 -59.97 -37.69 80.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.083 -1.01 . . . . 0.0 108.413 179.015 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.63 -32.35 67.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.51 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 31.3 mtmm -59.95 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.605 -1.31 . . . . 0.0 108.921 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . 0.647 HD23 ' O ' ' Y' ' 108' ' ' LEU . 1.5 tt -70.01 -29.22 66.23 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.188 -0.945 . . . . 0.0 109.261 179.6 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -61.55 -24.64 66.78 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.517 -1.365 . . . . 0.0 109.777 179.514 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' Y' ' 111' ' ' LYS . 0.2 OUTLIER -50.91 -26.12 5.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.604 -1.31 . . . . 0.0 108.285 -179.66 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.567 ' N ' ' CD1' ' Y' ' 110' ' ' PHE . 3.8 tppt? -76.86 -40.06 48.96 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.789 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 52.7 p -60.02 -33.37 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.32 -0.952 . . . . 0.0 108.647 179.596 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 . 179.484 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.451 ' CA ' ' OE2' ' B' ' 39' ' ' GLU . 3.9 t 61.0 21.73 12.04 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.454 -0.779 . . . . 0.0 109.561 -179.927 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' GLU . 99.1 mt-10 -74.89 -6.5 49.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.43 -0.793 . . . . 0.0 109.214 179.366 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' GLU . 25.1 tp -42.49 -23.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.719 . . . . 0.0 110.277 -178.785 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLU . 85.6 tt0 -69.91 -39.31 76.26 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 120.995 -1.066 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -74.93 -32.96 61.91 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.789 -1.195 . . . . 0.0 109.296 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -45.17 72.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.36 -0.837 . . . . 0.0 110.742 -178.629 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.15 -39.92 91.9 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.181 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.07 -35.81 75.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.504 -0.747 . . . . 0.0 109.739 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.7 -36.15 78.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.397 -0.814 . . . . 0.0 111.217 -178.46 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.97 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.679 -1.263 . . . . 0.0 107.998 -179.355 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.43 -39.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.749 -0.594 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.14 -48.86 79.94 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.869 -1.144 . . . . 0.0 112.28 -178.379 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.01 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.014 -1.053 . . . . 0.0 110.773 -177.816 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE2' ' OG ' ' A' ' 18' ' ' SER . 88.9 t80 -58.66 -36.91 74.9 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.926 -1.109 . . . . 0.0 109.575 -178.916 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -69.44 -26.23 64.5 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 110.199 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.98 -42.8 94.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.552 -1.343 . . . . 0.0 110.573 -179.142 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 70.1 m-85 -95.52 -28.99 14.61 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.76 -1.213 . . . . 0.0 112.435 -178.804 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.523 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 50.3 m -60.01 -40.03 87.88 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 120.925 -1.109 . . . . 0.0 109.189 -178.403 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.15 4.52 83.15 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.796 -1.414 . . . . 0.0 110.629 -178.628 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -101.93 0.37 35.24 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.061 -1.024 . . . . 0.0 108.861 179.501 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.64 -3.22 59.1 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -82.3 68.11 8.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.919 -1.342 . . . . 0.0 108.324 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -69.38 -36.02 76.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 110.227 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -77.83 -20.03 53.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 111.233 -178.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -143.8 159.05 43.2 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.851 -1.156 . . . . 0.0 109.945 -179.068 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 tp -118.14 130.12 55.93 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 30' ' ' SER . 63.4 tttp -99.15 144.37 28.36 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 -179.63 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' LYS . 25.2 pttm -41.08 -22.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.783 0.801 . . . . 0.0 109.618 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 28' ' ' LYS . 48.1 t -72.11 -55.52 7.18 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.405 0.621 . . . . 0.0 109.617 -179.458 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 17' ' ' TYR . 68.5 mt-10 -62.72 -34.06 76.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.34 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.08 -44.76 94.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.654 -0.654 . . . . 0.0 109.603 -179.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.95 -39.97 96.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.283 -0.885 . . . . 0.0 110.398 179.681 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.19 69.27 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.091 -1.005 . . . . 0.0 109.11 -178.444 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.9 -44.47 63.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.909 -1.119 . . . . 0.0 108.912 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.68 -48.67 63.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.708 -178.296 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.68 -30.66 52.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 112.096 -178.616 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -40.36 8.4 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.099 -1.0 . . . . 0.0 112.893 -177.504 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE2' ' CA ' ' B' ' 1' ' ' SER . 7.4 tp10 -87.45 -19.45 27.99 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.29 -1.506 . . . . 0.0 110.711 -177.675 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.9 mt -116.97 48.4 1.32 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 89.5 p -60.1 -40.32 89.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.511 -0.743 . . . . 0.0 111.538 -178.319 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -129.69 -20.63 3.19 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.023 -1.048 . . . . 0.0 110.54 -179.123 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.7 -38.06 89.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.027 -1.046 . . . . 0.0 109.888 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.0 tp -138.71 155.35 48.31 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.046 -1.034 . . . . 0.0 108.221 179.453 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' HE ' ' X' ' 104' ' ' ARG . 87.5 tt0 -61.0 113.87 2.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.67 -1.269 . . . . 0.0 108.667 179.725 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.66 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -67.88 176.95 2.31 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.584 -0.697 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.01 135.41 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -101.73 -20.91 14.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.478 -0.764 . . . . 0.0 110.465 -177.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -117.98 140.09 50.24 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.302 -0.874 . . . . 0.0 110.206 -179.323 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.616 ' NE2' ' N ' ' A' ' 51' ' ' GLU . 2.9 pp0? -71.15 -18.77 62.49 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.522 -0.736 . . . . 0.0 110.009 179.691 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.616 ' N ' ' NE2' ' A' ' 50' ' ' GLN . 8.4 pt-20 -65.99 -39.56 90.43 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.011 -1.055 . . . . 0.0 109.661 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 73.5 t -60.04 -39.91 81.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.681 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.61 -40.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.52 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -61.69 -40.0 93.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.397 -0.814 . . . . 0.0 109.914 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' X' ' 109' ' ' MET . 63.1 tttm -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -179.743 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 t -64.91 -31.63 54.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.5 mmm -70.06 -33.2 71.62 Favored 'General case' 0 C--O 1.195 -1.769 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.79 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.38 -39.07 75.26 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.051 -1.656 . . . . 0.0 107.084 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -73.93 -46.29 45.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.746 -0.596 . . . . 0.0 110.859 179.291 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 40.2 mt -89.47 -13.03 38.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.175 -178.359 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.1 t0 -79.88 58.54 2.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.25 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 63.2 mt-10 -59.62 -31.85 69.88 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' OE2' ' A' ' 72' ' ' GLU . 75.6 m-20 -77.89 -10.32 59.51 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.853 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.15 30.05 72.73 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.819 -1.313 . . . . 0.0 109.819 179.536 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 46.2 p-10 -108.49 9.42 27.5 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.216 -1.167 . . . . 0.0 110.212 -179.56 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 74.7 9.59 82.75 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.398 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 77.1 mt-10 -139.32 134.73 32.96 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 11.2 p -99.01 129.76 45.31 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.946 -1.097 . . . . 0.0 108.693 179.522 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 5.3 t70 -70.6 166.27 21.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.28 -0.888 . . . . 0.0 109.037 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 10.6 t80 -55.08 -39.9 69.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.024 -1.048 . . . . 0.0 108.925 -179.415 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.7 -35.23 80.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.824 -1.172 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 39.6 mt-10 -68.55 -40.09 80.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.049 -1.032 . . . . 0.0 110.284 -179.329 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mmm -59.97 -39.45 85.7 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.678 -0.639 . . . . 0.0 110.471 -179.434 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -67.02 -32.55 73.84 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.602 -1.311 . . . . 0.0 110.385 -178.654 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.97 -38.32 82.2 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.098 -1.001 . . . . 0.0 110.123 179.647 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -63.7 -36.64 77.22 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 O-C-N 121.572 -0.705 . . . . 0.0 110.298 -178.526 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 19.1 p -65.85 -40.07 91.38 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.834 -177.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.414 ' HG2' ' H ' ' A' ' 79' ' ' MET . 19.0 ptm -75.27 -39.97 59.27 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.935 -1.106 . . . . 0.0 111.313 -178.376 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.61 -37.6 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.664 -1.272 . . . . 0.0 109.604 -179.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.03 87.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 108.954 -179.518 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.422 HG23 ' CE2' ' B' ' 70' ' ' PHE . 3.1 m -54.1 -36.69 63.48 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.03 92.21 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.809 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.8 m -59.65 -33.9 72.13 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.562 -0.711 . . . . 0.0 109.459 -179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.79 -41.03 90.27 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.03 -1.044 . . . . 0.0 108.683 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.05 -39.97 91.84 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.136 -0.978 . . . . 0.0 108.43 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.52 -40.03 70.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.17 59.57 0.76 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.37 102.13 0.13 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.163 -0.961 . . . . 0.0 109.188 -179.682 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -80.21 98.22 7.27 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.465 0.65 . . . . 0.0 109.455 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.536 -0.728 . . . . 0.0 . -179.968 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.449 ' CA ' ' OE2' ' A' ' 39' ' ' GLU . 3.7 t 61.15 21.75 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 109.504 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 4' ' ' GLU . 99.1 mt-10 -74.94 -6.37 48.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.485 -0.759 . . . . 0.0 109.189 179.412 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.9 tp -42.49 -23.99 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -178.78 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 2' ' ' GLU . 85.6 tt0 -69.75 -39.24 76.87 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.921 -1.112 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -74.89 -32.99 61.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 109.281 -179.163 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.23 72.91 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.375 -0.828 . . . . 0.0 110.728 -178.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 31.0 mtt -61.04 -40.01 91.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.117 -0.99 . . . . 0.0 110.222 -179.454 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.03 -35.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.516 -0.74 . . . . 0.0 109.802 -179.711 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.93 -36.03 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 111.326 -178.545 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.665 -1.272 . . . . 0.0 107.84 -179.448 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.23 -40.08 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.93 -48.76 80.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.817 -1.177 . . . . 0.0 112.402 -178.488 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -39.99 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.93 -1.106 . . . . 0.0 110.7 -177.798 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.494 ' CE2' ' OG ' ' B' ' 18' ' ' SER . 89.4 t80 -58.61 -37.15 75.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.034 -1.041 . . . . 0.0 109.519 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -69.28 -26.21 64.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.968 -1.083 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.12 -42.23 94.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.576 -1.327 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 70.0 m-85 -96.05 -29.0 14.36 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.827 -1.17 . . . . 0.0 112.232 -178.795 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.494 ' OG ' ' CE2' ' B' ' 14' ' ' PHE . 52.1 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.009 -1.057 . . . . 0.0 109.263 -178.506 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.16 4.45 83.36 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.07 -49.88 75.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.733 -1.451 . . . . 0.0 110.674 -178.479 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -101.9 0.37 35.31 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 108.916 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.74 58.72 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 26' ' ' LYS . 68.3 m-20 -82.07 68.31 8.41 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.92 -1.341 . . . . 0.0 108.5 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -69.49 -36.1 76.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.392 -0.818 . . . . 0.0 110.258 -179.287 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -77.9 -19.9 53.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.226 -178.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' B' ' 23' ' ' ASP . 54.1 pttt -143.83 158.78 43.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.859 -1.151 . . . . 0.0 109.95 -179.032 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.86 130.19 56.1 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.562 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' B' ' 30' ' ' SER . 63.3 tttp -99.53 144.24 28.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.874 -1.141 . . . . 0.0 109.859 -179.702 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' B' ' 28' ' ' LYS . 25.1 pttm -40.92 -23.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.785 0.802 . . . . 0.0 109.566 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.532 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 47.4 t -72.24 -55.37 7.32 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.663 -179.374 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' B' ' 17' ' ' TYR . 67.6 mt-10 -62.77 -34.04 76.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.161 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.05 -45.01 94.26 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.705 -0.622 . . . . 0.0 109.521 -179.249 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.75 -39.97 95.8 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.27 -0.894 . . . . 0.0 110.416 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.44 -29.09 69.15 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 109.131 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -71.8 -44.62 63.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.889 -1.132 . . . . 0.0 108.932 178.323 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.72 -48.55 64.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.81 -0.556 . . . . 0.0 110.671 -178.191 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' B' ' 47' ' ' ILE . 97.2 m-20 -77.63 -30.99 52.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.151 -0.968 . . . . 0.0 112.097 -178.482 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -40.05 8.56 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.1 -1.0 . . . . 0.0 112.848 -177.395 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.451 ' OE2' ' CA ' ' A' ' 1' ' ' SER . 6.9 tp10 -87.73 -19.32 27.75 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.369 -1.457 . . . . 0.0 110.741 -177.676 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 11.3 mt -116.92 48.05 1.37 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.71 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.438 ' O ' ' OE1' ' B' ' 46' ' ' GLU . 95.0 p -60.05 -40.35 89.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.468 -0.77 . . . . 0.0 111.558 -178.231 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.51 -20.6 3.26 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.953 -1.092 . . . . 0.0 110.633 -179.126 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -63.93 -37.88 89.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.029 -1.044 . . . . 0.0 109.831 -179.276 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -138.83 155.26 48.28 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.486 ' HG2' ' HE ' ' Y' ' 104' ' ' ARG . 86.9 tt0 -60.86 114.09 2.86 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.663 -1.273 . . . . 0.0 108.577 179.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.685 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 0.4 OUTLIER -67.91 177.16 2.24 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.512 0.673 . . . . 0.0 109.979 179.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.444 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 91.0 mt -109.17 135.39 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -101.78 -21.0 14.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.784 . . . . 0.0 110.424 -177.783 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -117.79 139.98 50.32 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.22 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.621 ' NE2' ' N ' ' B' ' 51' ' ' GLU . 2.9 pp0? -71.17 -18.75 62.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.615 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.621 ' N ' ' NE2' ' B' ' 50' ' ' GLN . 8.0 pt-20 -65.93 -39.88 90.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.037 -1.039 . . . . 0.0 109.654 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 70.4 t -60.03 -39.9 81.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.738 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.4 -39.93 84.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.571 179.595 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.85 -39.91 93.5 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.397 -0.814 . . . . 0.0 109.921 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.51 -39.99 92.5 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.02 -31.93 56.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.615 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -69.89 -33.17 71.85 Favored 'General case' 0 C--O 1.195 -1.767 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.811 179.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -57.48 -38.98 75.43 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 120.031 -1.668 . . . . 0.0 107.157 179.219 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -74.0 -46.18 45.22 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.817 -0.552 . . . . 0.0 110.829 179.314 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 40.9 mt -89.64 -13.06 37.88 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.026 -1.046 . . . . 0.0 111.239 -178.362 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -79.79 58.59 2.86 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.225 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 61.4 mt-10 -59.73 -31.82 69.97 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.424 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 75.1 m-20 -77.88 -10.49 59.6 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.41 29.93 72.9 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.581 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 46.1 p-10 -108.32 9.43 27.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.258 -1.142 . . . . 0.0 110.258 -179.66 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.442 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 74.51 9.91 82.21 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.356 -1.898 . . . . 0.0 108.356 -179.448 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 79.6 mt-10 -139.55 134.55 32.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 10.0 p -98.86 129.78 45.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.936 -1.102 . . . . 0.0 108.742 179.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 5.5 t70 -70.61 166.36 20.84 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 108.985 -179.191 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 10.4 t80 -55.15 -39.99 70.09 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.008 -1.058 . . . . 0.0 108.876 -179.468 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.81 -34.83 79.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.802 -1.186 . . . . 0.0 109.86 179.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 40.1 mt-10 -68.82 -40.11 79.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.989 -1.069 . . . . 0.0 110.225 -179.289 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.69 -35.7 80.77 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.462 -0.773 . . . . 0.0 109.695 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mmm -59.96 -39.41 85.53 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.665 -0.647 . . . . 0.0 110.472 -179.253 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.92 -32.52 73.83 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.566 -1.334 . . . . 0.0 110.376 -178.632 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.06 -38.03 81.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -36.68 77.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 O-C-N 121.553 -0.717 . . . . 0.0 110.246 -178.615 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 20.2 p -65.69 -39.98 91.83 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.96 -178.11 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.445 ' H ' ' HG2' ' B' ' 79' ' ' MET . 19.7 ptm -75.52 -40.01 57.6 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.859 -1.151 . . . . 0.0 111.322 -178.385 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.44 -37.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.609 -1.307 . . . . 0.0 109.472 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.8 m -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.002 -179.44 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 70' ' ' PHE . 3.1 m -54.18 -36.61 63.6 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.84 91.78 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.857 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.4 m -59.97 -33.61 72.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.726 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -60.0 -40.7 90.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.004 -1.06 . . . . 0.0 108.636 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.22 -40.02 92.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.079 -1.013 . . . . 0.0 108.415 178.739 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.56 -39.75 70.45 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.777 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.52 59.91 0.85 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.777 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.72 101.96 0.13 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.147 -0.971 . . . . 0.0 109.012 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -80.05 98.21 7.14 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.521 0.677 . . . . 0.0 109.445 -179.767 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.496 -0.752 . . . . 0.0 . -179.902 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' X' X ' 92' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' X' X ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -88.61 160.75 17.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 0.0 109.102 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 94' ' ' LEU . . . . . 0.529 ' N ' HD22 ' X' ' 94' ' ' LEU . 3.3 mm? -67.44 141.45 56.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.179 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' X' X ' 95' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.409 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 96' ' ' SER . . . . . . . . . . . . . 41.9 t -153.79 150.51 28.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.081 -1.012 . . . . 0.0 110.096 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -86.59 172.67 10.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.542 -0.723 . . . . 0.0 109.296 179.669 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.76 -132.86 47.9 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -106.14 173.79 6.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.512 -0.993 . . . . 0.0 109.447 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 101' ' ' SER . . . . . 0.402 ' O ' ' N ' ' X' ' 103' ' ' SER . 41.2 m -49.42 -24.92 2.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.29 -0.881 . . . . 0.0 109.648 -179.907 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' X' X ' 102' ' ' THR . . . . . 0.54 ' O ' ' ND1' ' X' ' 105' ' ' HIS . 58.2 p -44.87 -24.76 0.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.402 -0.811 . . . . 0.0 109.488 -179.916 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' X' X ' 103' ' ' SER . . . . . 0.402 ' N ' ' O ' ' X' ' 101' ' ' SER . 68.5 m -48.13 -24.72 1.2 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 108.732 178.747 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' X' X ' 104' ' ' ARG . . . . . 0.418 ' HG2' ' NH1' ' X' ' 104' ' ' ARG . 41.3 ttt-85 -59.98 -42.05 93.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.83 -0.544 . . . . 0.0 110.38 -179.474 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' X' X ' 105' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' X' ' 106' ' ' LYS . 6.7 p-80 -60.09 -39.24 85.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.91 -178.849 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' X' X ' 106' ' ' LYS . . . . . 0.611 ' N ' ' CD2' ' X' ' 105' ' ' HIS . 2.1 tmtp? -59.98 -39.22 84.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 110.277 -179.238 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' X' X ' 107' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' X' ' 110' ' ' PHE . 18.6 mtpp -60.08 -40.02 88.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 0.0 110.807 -178.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' X' X ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 tp -76.36 -27.15 56.33 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.83 -1.169 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 109' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' X' ' 105' ' ' HIS . 0.0 OUTLIER -59.1 -24.55 63.05 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.763 -1.211 . . . . 0.0 108.964 -179.684 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' X' X ' 110' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' X' ' 107' ' ' LYS . 0.2 OUTLIER -51.45 -29.06 14.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.417 -1.427 . . . . 0.0 109.655 -179.233 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' X' X ' 111' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' X' ' 110' ' ' PHE . 0.6 OUTLIER -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.5 -1.375 . . . . 0.0 107.585 176.351 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' X' X ' 112' ' ' THR . . . . . . . . . . . . . 41.2 p -60.94 -38.83 87.18 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' X' X ' 113' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.848 . . . . 0.0 . -179.451 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' Y' Y ' 92' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' Y' Y ' 93' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -88.58 161.13 17.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.348 -0.845 . . . . 0.0 109.105 179.745 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 94' ' ' LEU . . . . . 0.545 HD22 ' N ' ' Y' ' 94' ' ' LEU . 3.3 mm? -67.93 141.83 56.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.078 -1.014 . . . . 0.0 109.044 179.775 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' Y' Y ' 95' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.23 -39.95 88.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.122 -0.986 . . . . 0.0 109.365 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 96' ' ' SER . . . . . . . . . . . . . 38.5 t -153.54 150.8 29.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.043 -1.036 . . . . 0.0 110.172 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -86.82 172.45 10.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.49 -0.756 . . . . 0.0 109.214 179.592 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 98' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.94 -39.94 87.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.102 -0.999 . . . . 0.0 108.577 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.49 -133.01 46.95 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.562 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -105.63 173.89 6.11 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -1.02 . . . . 0.0 109.506 -179.614 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 101' ' ' SER . . . . . . . . . . . . . 45.5 m -49.54 -24.81 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 109.52 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 102' ' ' THR . . . . . 0.53 ' O ' ' ND1' ' Y' ' 105' ' ' HIS . 54.1 p -45.05 -24.77 0.26 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.371 -0.83 . . . . 0.0 109.566 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' Y' Y ' 103' ' ' SER . . . . . . . . . . . . . 74.3 m -48.04 -24.69 1.15 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.179 -0.951 . . . . 0.0 108.771 178.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 104' ' ' ARG . . . . . 0.486 ' HE ' ' HG2' ' B' ' 45' ' ' GLU . 41.7 ttt-85 -59.95 -42.2 93.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.857 -0.527 . . . . 0.0 110.392 -179.557 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' Y' Y ' 105' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' Y' ' 106' ' ' LYS . 6.8 p-80 -60.02 -39.22 85.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.914 -1.116 . . . . 0.0 109.863 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' Y' Y ' 106' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' Y' ' 105' ' ' HIS . 2.2 tmtp? -60.0 -39.36 85.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.24 -179.212 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' Y' Y ' 107' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' Y' ' 110' ' ' PHE . 18.6 mtpp -59.9 -40.01 87.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.943 -1.098 . . . . 0.0 110.828 -178.888 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' Y' Y ' 108' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.56 -26.73 55.42 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.879 -1.138 . . . . 0.0 110.116 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 109' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' Y' ' 105' ' ' HIS . 0.0 OUTLIER -59.4 -24.58 63.58 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.799 -1.188 . . . . 0.0 108.976 -179.806 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' Y' Y ' 110' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' Y' ' 107' ' ' LYS . 0.2 OUTLIER -51.51 -29.14 15.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.433 -1.417 . . . . 0.0 109.577 -179.357 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' Y' Y ' 111' ' ' LYS . . . . . 0.462 ' HG2' ' CE1' ' Y' ' 110' ' ' PHE . 0.5 OUTLIER -69.96 -40.3 75.51 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.418 -1.426 . . . . 0.0 107.669 176.42 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' Y' Y ' 112' ' ' THR . . . . . . . . . . . . . 40.8 p -60.15 -38.59 83.6 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.02 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' Y' Y ' 113' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.446 -0.784 . . . . 0.0 . -179.334 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 116' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 117' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_